smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)CC[N@@H+](C)CCO ZINC001149205952 849631949 /nfs/dbraw/zinc/63/19/49/849631949.db2.gz NSYVCYINBJRRRT-UHFFFAOYSA-N 1 1 356.354 0.688 10 5 FCBEMO CS(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001175955858 850778896 /nfs/dbraw/zinc/77/88/96/850778896.db2.gz PQGGVGCVTFAPJF-SNVBAGLBSA-N 1 1 356.404 0.065 10 5 FCBEMO CS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001175955858 850778899 /nfs/dbraw/zinc/77/88/99/850778899.db2.gz PQGGVGCVTFAPJF-SNVBAGLBSA-N 1 1 356.404 0.065 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1nccs1 ZINC001264419800 859352868 /nfs/dbraw/zinc/35/28/68/859352868.db2.gz FELVJGAOSVKCCM-GWOFURMSSA-N 1 1 353.404 0.231 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC(C1CC1)C1CC1 ZINC001265538500 859461356 /nfs/dbraw/zinc/46/13/56/859461356.db2.gz BPDJDCVAEZICKM-XJFOESAGSA-N 1 1 350.419 0.193 10 5 FCBEMO CN(CC[NH2+]CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267370656 859504642 /nfs/dbraw/zinc/50/46/42/859504642.db2.gz CIHGWMKAGOLDRQ-ZIAGYGMSSA-N 1 1 368.821 0.669 10 5 FCBEMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCCCC1 ZINC001269411897 859548812 /nfs/dbraw/zinc/54/88/12/859548812.db2.gz XDMUIVRHOYTURY-ZIAGYGMSSA-N 1 1 352.435 0.729 10 5 FCBEMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001271736662 860003218 /nfs/dbraw/zinc/00/32/18/860003218.db2.gz OSAPWWKNUGGDNO-XLWJZTARSA-N 1 1 352.435 0.535 10 5 FCBEMO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001271736662 860003225 /nfs/dbraw/zinc/00/32/25/860003225.db2.gz OSAPWWKNUGGDNO-XLWJZTARSA-N 1 1 352.435 0.535 10 5 FCBEMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001271736662 860003232 /nfs/dbraw/zinc/00/32/32/860003232.db2.gz OSAPWWKNUGGDNO-XLWJZTARSA-N 1 1 352.435 0.535 10 5 FCBEMO Cc1csc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001274515862 860767926 /nfs/dbraw/zinc/76/79/26/860767926.db2.gz LXGMAPGRWMRHLN-VXGBXAGGSA-N 1 1 354.432 0.560 10 5 FCBEMO CC(C)N(CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001281290605 863510746 /nfs/dbraw/zinc/51/07/46/863510746.db2.gz UDHJWYIHVYLRBY-HUUCEWRRSA-N 1 1 354.451 0.831 10 5 FCBEMO CC(C)N(CCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001281290605 863510752 /nfs/dbraw/zinc/51/07/52/863510752.db2.gz UDHJWYIHVYLRBY-HUUCEWRRSA-N 1 1 354.451 0.831 10 5 FCBEMO CC(C)N(CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001281290605 863510757 /nfs/dbraw/zinc/51/07/57/863510757.db2.gz UDHJWYIHVYLRBY-HUUCEWRRSA-N 1 1 354.451 0.831 10 5 FCBEMO C[N@H+]1CC[C@H](CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001293316377 865785583 /nfs/dbraw/zinc/78/55/83/865785583.db2.gz ARUHFORBCWNUGU-GFCCVEGCSA-N 1 1 370.431 0.331 10 5 FCBEMO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001350366635 866577267 /nfs/dbraw/zinc/57/72/67/866577267.db2.gz ZLUJUGBGKQWYBJ-LBPRGKRZSA-N 1 1 356.404 0.210 10 5 FCBEMO CC(C)(C)CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001319352204 867895034 /nfs/dbraw/zinc/89/50/34/867895034.db2.gz SGCSWEMOSNRTGZ-CHWSQXEVSA-N 1 1 354.451 0.833 10 5 FCBEMO Cc1nn(C)c(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC001329032758 871786502 /nfs/dbraw/zinc/78/65/02/871786502.db2.gz LHSZBKYBGGGVMC-UHFFFAOYSA-N 1 1 351.407 0.964 10 5 FCBEMO Cc1nn(CCC(=O)N2CCN(C3C[NH+](C)C3)CC2)c(C)c1[N+](=O)[O-] ZINC001347772870 872489993 /nfs/dbraw/zinc/48/99/93/872489993.db2.gz QLXUWVGGFINIIG-UHFFFAOYSA-N 1 1 350.423 0.256 10 5 FCBEMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265294022 210089065 /nfs/dbraw/zinc/08/90/65/210089065.db2.gz KWSFBWLTUAOLTI-NSHDSACASA-N 1 1 356.404 0.547 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265113680 210058986 /nfs/dbraw/zinc/05/89/86/210058986.db2.gz XWIXVWOXZKXKJL-UHFFFAOYSA-N 1 1 369.403 0.881 10 5 FCBEMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285238341 213308183 /nfs/dbraw/zinc/30/81/83/213308183.db2.gz XQLCXFFLTVGZGE-CHWSQXEVSA-N 1 1 359.379 0.828 10 5 FCBEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285238341 213308186 /nfs/dbraw/zinc/30/81/86/213308186.db2.gz XQLCXFFLTVGZGE-CHWSQXEVSA-N 1 1 359.379 0.828 10 5 FCBEMO C[N@H+]1CC[C@@H]2OCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000284999276 213264363 /nfs/dbraw/zinc/26/43/63/213264363.db2.gz YMXUVASUTYVNQU-IRXDYDNUSA-N 1 1 360.414 0.889 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366760484 216027652 /nfs/dbraw/zinc/02/76/52/216027652.db2.gz SLXCSSZNJNHFDS-HUUCEWRRSA-N 1 1 362.386 0.821 10 5 FCBEMO CS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc([N+](=O)[O-])c1 ZINC000367992045 216188850 /nfs/dbraw/zinc/18/88/50/216188850.db2.gz AMATXJQIFUVIQY-NSHDSACASA-N 1 1 363.342 0.677 10 5 FCBEMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000369169769 216357992 /nfs/dbraw/zinc/35/79/92/216357992.db2.gz IRQMJUBIGODEPH-CQSZACIVSA-N 1 1 351.407 0.895 10 5 FCBEMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000275645319 212065425 /nfs/dbraw/zinc/06/54/25/212065425.db2.gz KVWXIONARCNQNT-NSHDSACASA-N 1 1 359.404 0.602 10 5 FCBEMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000275645319 212065430 /nfs/dbraw/zinc/06/54/30/212065430.db2.gz KVWXIONARCNQNT-NSHDSACASA-N 1 1 359.404 0.602 10 5 FCBEMO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](C)O2 ZINC000374023763 217085864 /nfs/dbraw/zinc/08/58/64/217085864.db2.gz BZBYFWWRFMRQFT-BFJAYTPKSA-N 1 1 354.407 0.811 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451271598 248505762 /nfs/dbraw/zinc/50/57/62/248505762.db2.gz VDIATYXPPAMPBF-IKGGRYGDSA-N 1 1 364.377 0.952 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451271598 248505764 /nfs/dbraw/zinc/50/57/64/248505764.db2.gz VDIATYXPPAMPBF-IKGGRYGDSA-N 1 1 364.377 0.952 10 5 FCBEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000107356752 208239600 /nfs/dbraw/zinc/23/96/00/208239600.db2.gz WVUJHYORJQSCLU-CYBMUJFWSA-N 1 1 363.418 0.938 10 5 FCBEMO Cc1nn(C)c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000107282171 208240743 /nfs/dbraw/zinc/24/07/43/208240743.db2.gz LPRHOHRDUKOENQ-CQSZACIVSA-N 1 1 364.450 0.879 10 5 FCBEMO COCC[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117291530 208343992 /nfs/dbraw/zinc/34/39/92/208343992.db2.gz KMTAQODYCGCSOX-ZDUSSCGKSA-N 1 1 374.401 0.968 10 5 FCBEMO COCC[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117291530 208343997 /nfs/dbraw/zinc/34/39/97/208343997.db2.gz KMTAQODYCGCSOX-ZDUSSCGKSA-N 1 1 374.401 0.968 10 5 FCBEMO O=C([C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCOCC1 ZINC000179313470 209075926 /nfs/dbraw/zinc/07/59/26/209075926.db2.gz KFUIXBSFRGILNG-CQSZACIVSA-N 1 1 364.402 0.327 10 5 FCBEMO C[NH+]1CCN(C(=O)CC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000301194611 488877435 /nfs/dbraw/zinc/87/74/35/488877435.db2.gz JHSPKJXLBKZWBO-UHFFFAOYSA-N 1 1 363.422 0.348 10 5 FCBEMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301986764 488886596 /nfs/dbraw/zinc/88/65/96/488886596.db2.gz ZKZGCAFELVVOFK-GFCCVEGCSA-N 1 1 359.390 0.556 10 5 FCBEMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060433 488914313 /nfs/dbraw/zinc/91/43/13/488914313.db2.gz LMOASAALNDUNPA-LRDDRELGSA-N 1 1 364.358 0.009 10 5 FCBEMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000364340991 488948758 /nfs/dbraw/zinc/94/87/58/488948758.db2.gz SSMPMUBVBMHONU-ZIAGYGMSSA-N 1 1 353.375 0.799 10 5 FCBEMO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000043271972 487895766 /nfs/dbraw/zinc/89/57/66/487895766.db2.gz AYQWQQYMRBWZNE-UHFFFAOYSA-N 1 1 359.386 0.940 10 5 FCBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246777243 488475651 /nfs/dbraw/zinc/47/56/51/488475651.db2.gz SFRJDZPNRZEMAM-GDBMZVCRSA-N 1 1 363.422 0.773 10 5 FCBEMO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@H+]1C[C@H](C)O ZINC000247022842 488480072 /nfs/dbraw/zinc/48/00/72/488480072.db2.gz WVRCKWZCTRZADK-GXTWGEPZSA-N 1 1 353.423 0.793 10 5 FCBEMO COCC[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248373391 488495085 /nfs/dbraw/zinc/49/50/85/488495085.db2.gz IPKJOXRTHIIGIH-LSDHHAIUSA-N 1 1 353.419 0.987 10 5 FCBEMO COCCN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248373391 488495091 /nfs/dbraw/zinc/49/50/91/488495091.db2.gz IPKJOXRTHIIGIH-LSDHHAIUSA-N 1 1 353.419 0.987 10 5 FCBEMO COCCN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248373391 488495093 /nfs/dbraw/zinc/49/50/93/488495093.db2.gz IPKJOXRTHIIGIH-LSDHHAIUSA-N 1 1 353.419 0.987 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CCN(Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000109688657 488523509 /nfs/dbraw/zinc/52/35/09/488523509.db2.gz KZACAGVPYOHQQF-UHFFFAOYSA-N 1 1 361.406 0.962 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000273048867 488628177 /nfs/dbraw/zinc/62/81/77/488628177.db2.gz FDZSJDGKQYEWKT-CQSZACIVSA-N 1 1 359.386 0.825 10 5 FCBEMO CCOC(=O)C1(O)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273092484 488630890 /nfs/dbraw/zinc/63/08/90/488630890.db2.gz BHUXMNKHKWVEDR-ZDUSSCGKSA-N 1 1 368.386 0.725 10 5 FCBEMO Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000153186136 488727793 /nfs/dbraw/zinc/72/77/93/488727793.db2.gz WQYXMNIRJGCVNA-QWHCGFSZSA-N 1 1 352.347 0.823 10 5 FCBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000266803661 488732208 /nfs/dbraw/zinc/73/22/08/488732208.db2.gz DHYZVYQEDDLFGN-NSHDSACASA-N 1 1 370.431 0.622 10 5 FCBEMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290619975 489153386 /nfs/dbraw/zinc/15/33/86/489153386.db2.gz LIHVQPIPXNSYCC-CYBMUJFWSA-N 1 1 362.434 0.695 10 5 FCBEMO CNC(=O)CN1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369825023 489279742 /nfs/dbraw/zinc/27/97/42/489279742.db2.gz FYDQWNXWBRUVCO-UHFFFAOYSA-N 1 1 366.418 0.736 10 5 FCBEMO CNC(=O)CN1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369825023 489279747 /nfs/dbraw/zinc/27/97/47/489279747.db2.gz FYDQWNXWBRUVCO-UHFFFAOYSA-N 1 1 366.418 0.736 10 5 FCBEMO CNC(=O)C[N@@H+]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369825023 489279751 /nfs/dbraw/zinc/27/97/51/489279751.db2.gz FYDQWNXWBRUVCO-UHFFFAOYSA-N 1 1 366.418 0.736 10 5 FCBEMO CNC(=O)C[N@H+]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369825023 489279754 /nfs/dbraw/zinc/27/97/54/489279754.db2.gz FYDQWNXWBRUVCO-UHFFFAOYSA-N 1 1 366.418 0.736 10 5 FCBEMO COC(=O)c1cc(C)nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000286722384 489421049 /nfs/dbraw/zinc/42/10/49/489421049.db2.gz FBYCXVXBOVFVJQ-VXGBXAGGSA-N 1 1 352.391 0.976 10 5 FCBEMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000286722384 489421053 /nfs/dbraw/zinc/42/10/53/489421053.db2.gz FBYCXVXBOVFVJQ-VXGBXAGGSA-N 1 1 352.391 0.976 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000371801265 489510576 /nfs/dbraw/zinc/51/05/76/489510576.db2.gz FSWJDDKXQKVYJG-LLVKDONJSA-N 1 1 356.404 0.024 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000371801265 489510579 /nfs/dbraw/zinc/51/05/79/489510579.db2.gz FSWJDDKXQKVYJG-LLVKDONJSA-N 1 1 356.404 0.024 10 5 FCBEMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451673279 489516687 /nfs/dbraw/zinc/51/66/87/489516687.db2.gz VDMVSMMGRBGLCA-HNNXBMFYSA-N 1 1 371.459 0.904 10 5 FCBEMO C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000426488529 489571313 /nfs/dbraw/zinc/57/13/13/489571313.db2.gz VPSXRHJCEXSGFR-ZDUSSCGKSA-N 1 1 364.402 0.891 10 5 FCBEMO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000426488529 489571316 /nfs/dbraw/zinc/57/13/16/489571316.db2.gz VPSXRHJCEXSGFR-ZDUSSCGKSA-N 1 1 364.402 0.891 10 5 FCBEMO C[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000426488529 489571319 /nfs/dbraw/zinc/57/13/19/489571319.db2.gz VPSXRHJCEXSGFR-ZDUSSCGKSA-N 1 1 364.402 0.891 10 5 FCBEMO Cc1nn(CCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000416302727 489580502 /nfs/dbraw/zinc/58/05/02/489580502.db2.gz WYNDDJZCGVHAFH-NEPJUHHUSA-N 1 1 353.423 0.712 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 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363.370 0.577 10 5 FCBEMO CN(CC1CC1)C(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001276199877 1211380071 /nfs/dbraw/zinc/38/00/71/1211380071.db2.gz HEYFLMXDNVJRBI-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1CCO ZINC000779316709 1212494118 /nfs/dbraw/zinc/49/41/18/1212494118.db2.gz KDUWTPYUGAWULQ-MLGOLLRUSA-N 1 1 362.386 0.613 10 5 FCBEMO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1CCO ZINC000779316709 1212494120 /nfs/dbraw/zinc/49/41/20/1212494120.db2.gz KDUWTPYUGAWULQ-MLGOLLRUSA-N 1 1 362.386 0.613 10 5 FCBEMO C[N@@H+](CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC1CC1 ZINC001277413342 1226030595 /nfs/dbraw/zinc/03/05/95/1226030595.db2.gz PLABBMZSBDIWEO-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO C[N@H+](CCCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC1CC1 ZINC001277413342 1226030599 /nfs/dbraw/zinc/03/05/99/1226030599.db2.gz PLABBMZSBDIWEO-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO C[N@@H+](CCCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC1CC1 ZINC001277413342 1226030605 /nfs/dbraw/zinc/03/06/05/1226030605.db2.gz PLABBMZSBDIWEO-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001138163540 1222487166 /nfs/dbraw/zinc/48/71/66/1222487166.db2.gz OERRYLUMUKNYAO-MRXNPFEDSA-N 1 1 373.413 0.983 10 5 FCBEMO CCN(C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@@H+](C)C1 ZINC001330878371 1266110140 /nfs/dbraw/zinc/11/01/40/1266110140.db2.gz UAPRZHRLTPRZCE-AWEZNQCLSA-N 1 1 364.402 0.772 10 5 FCBEMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001472260131 1261456018 /nfs/dbraw/zinc/45/60/18/1261456018.db2.gz XTJBGOSREAEJPC-KBPBESRZSA-N 1 1 352.366 0.987 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001473490775 1261491041 /nfs/dbraw/zinc/49/10/41/1261491041.db2.gz LACXFODMFTXPDO-INTQDDNPSA-N 1 1 362.342 0.135 10 5 FCBEMO 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Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)on1 ZINC001319350801 1263682953 /nfs/dbraw/zinc/68/29/53/1263682953.db2.gz AMYQQAQJMSLHDS-VXGBXAGGSA-N 1 1 365.390 0.605 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1cccc2cccnc21 ZINC001501458080 1264123514 /nfs/dbraw/zinc/12/35/14/1264123514.db2.gz OHZHLRXTYRWTPU-HZPDHXFCSA-N 1 1 358.398 0.811 10 5 FCBEMO COc1ncccc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001502623598 1264178482 /nfs/dbraw/zinc/17/84/82/1264178482.db2.gz JACHWGNMRISLBV-ZIAGYGMSSA-N 1 1 364.402 0.510 10 5 FCBEMO Cc1cc(C)n(CC[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)n1 ZINC001502623820 1264178720 /nfs/dbraw/zinc/17/87/20/1264178720.db2.gz QJMOJFFDLHMJCQ-HUUCEWRRSA-N 1 1 365.434 0.420 10 5 FCBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001323615047 1264468901 /nfs/dbraw/zinc/46/89/01/1264468901.db2.gz CWFGUQMWXNIYIU-TZMCWYRMSA-N 1 1 366.422 0.096 10 5 FCBEMO 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CC[N@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001531582578 1267140863 /nfs/dbraw/zinc/14/08/63/1267140863.db2.gz RXLKJVGLZPOQNM-CHWSQXEVSA-N 1 1 354.451 0.927 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001531582578 1267140867 /nfs/dbraw/zinc/14/08/67/1267140867.db2.gz RXLKJVGLZPOQNM-CHWSQXEVSA-N 1 1 354.451 0.927 10 5 FCBEMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001536360083 1267323411 /nfs/dbraw/zinc/32/34/11/1267323411.db2.gz OCGOTYSJOCXCKW-HUUCEWRRSA-N 1 1 352.435 0.587 10 5 FCBEMO CC[NH+](CC)CC(=O)NCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001537129733 1267356774 /nfs/dbraw/zinc/35/67/74/1267356774.db2.gz FFAXVLKKUNWKIS-ZIAGYGMSSA-N 1 1 354.451 0.738 10 5 FCBEMO O=C(NCC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)Nc1cccc([N+](=O)[O-])c1 ZINC001556727491 1268886760 /nfs/dbraw/zinc/88/67/60/1268886760.db2.gz REHKYVPPNLDGEV-FZMZJTMJSA-N 1 1 365.365 0.971 10 5 FCBEMO 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ZINC001567849345 1269709794 /nfs/dbraw/zinc/70/97/94/1269709794.db2.gz YFPPLGBGMALDJH-LBPRGKRZSA-N 1 1 360.374 0.314 10 5 FCBEMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001571906651 1269979768 /nfs/dbraw/zinc/97/97/68/1269979768.db2.gz BSWXCYWXMJVRRI-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CCC[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001571906651 1269979776 /nfs/dbraw/zinc/97/97/76/1269979776.db2.gz BSWXCYWXMJVRRI-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001571906651 1269979782 /nfs/dbraw/zinc/97/97/82/1269979782.db2.gz BSWXCYWXMJVRRI-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001579159756 1276907157 /nfs/dbraw/zinc/90/71/57/1276907157.db2.gz DNNFXBDDNYNRPK-SSZWKKLZSA-N 1 1 350.419 0.101 10 5 FCBEMO CC(C)n1nccc1NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591537 1287287189 /nfs/dbraw/zinc/28/71/89/1287287189.db2.gz PNPRQWDBBUXXRA-VXGBXAGGSA-N 1 1 352.395 0.116 10 5 FCBEMO C[N@H+](CC(=O)NCC1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713764373 1287296457 /nfs/dbraw/zinc/29/64/57/1287296457.db2.gz ZXXUJRYGOLKFSX-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO C[N@@H+](CC(=O)NCC1CCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001713764373 1287296458 /nfs/dbraw/zinc/29/64/58/1287296458.db2.gz ZXXUJRYGOLKFSX-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO C[N@H+](CC(=O)NCC1CCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001713764373 1287296459 /nfs/dbraw/zinc/29/64/59/1287296459.db2.gz ZXXUJRYGOLKFSX-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO CNC(=O)c1cccc(C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c1 ZINC001714667729 1287329196 /nfs/dbraw/zinc/32/91/96/1287329196.db2.gz XNJKVFDELZRRJA-HZPDHXFCSA-N 1 1 360.414 0.792 10 5 FCBEMO C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CCn1cncn1 ZINC001715469890 1287352827 /nfs/dbraw/zinc/35/28/27/1287352827.db2.gz KLHQGURLZPYWLJ-HUUCEWRRSA-N 1 1 350.423 0.504 10 5 FCBEMO C[N@H+](CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CCn1cncn1 ZINC001715469890 1287352834 /nfs/dbraw/zinc/35/28/34/1287352834.db2.gz KLHQGURLZPYWLJ-HUUCEWRRSA-N 1 1 350.423 0.504 10 5 FCBEMO C[N@@H+](CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CCn1cncn1 ZINC001715469890 1287352840 /nfs/dbraw/zinc/35/28/40/1287352840.db2.gz KLHQGURLZPYWLJ-HUUCEWRRSA-N 1 1 350.423 0.504 10 5 FCBEMO Cn1c(=O)oc2ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC001715817096 1287361191 /nfs/dbraw/zinc/36/11/91/1287361191.db2.gz QECQGPYQFZUJIQ-LLGAQUFESA-N 1 1 360.370 0.559 10 5 FCBEMO CS(=O)(=O)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001715812706 1287361419 /nfs/dbraw/zinc/36/14/19/1287361419.db2.gz IKVKEJDROUMUSF-OKYAQOQYSA-N 1 1 367.427 0.517 10 5 FCBEMO Cc1ccc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001717319120 1287418246 /nfs/dbraw/zinc/41/82/46/1287418246.db2.gz WDKKGMUFNDRNKV-HZPDHXFCSA-N 1 1 362.430 0.807 10 5 FCBEMO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC001634827696 1282358085 /nfs/dbraw/zinc/35/80/85/1282358085.db2.gz IUMQNNUONZEPMJ-NWDGAFQWSA-N 1 1 370.431 0.472 10 5 FCBEMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001635745409 1282428453 /nfs/dbraw/zinc/42/84/53/1282428453.db2.gz IFVKOLSHDSQVSE-AWEZNQCLSA-N 1 1 361.301 0.277 10 5 FCBEMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001636534350 1282514888 /nfs/dbraw/zinc/51/48/88/1282514888.db2.gz BIDZZHHZSYLKTB-VHSXEESVSA-N 1 1 356.404 0.407 10 5 FCBEMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001636534350 1282514896 /nfs/dbraw/zinc/51/48/96/1282514896.db2.gz BIDZZHHZSYLKTB-VHSXEESVSA-N 1 1 356.404 0.407 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001637890455 1282633528 /nfs/dbraw/zinc/63/35/28/1282633528.db2.gz JWBWRAYFNFDVCS-LBPRGKRZSA-N 1 1 360.374 0.314 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001637890455 1282633532 /nfs/dbraw/zinc/63/35/32/1282633532.db2.gz JWBWRAYFNFDVCS-LBPRGKRZSA-N 1 1 360.374 0.314 10 5 FCBEMO O=C(NC/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001705036236 1286338394 /nfs/dbraw/zinc/33/83/94/1286338394.db2.gz UWYFIFWWTJBDQL-PKUCDIRRSA-N 1 1 364.446 0.562 10 5 FCBEMO COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001597911400 1286368970 /nfs/dbraw/zinc/36/89/70/1286368970.db2.gz OLLBGYQMCKSJRB-GFCCVEGCSA-N 1 1 367.406 0.622 10 5 FCBEMO COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001597911400 1286368979 /nfs/dbraw/zinc/36/89/79/1286368979.db2.gz OLLBGYQMCKSJRB-GFCCVEGCSA-N 1 1 367.406 0.622 10 5 FCBEMO O=C(NCCC1CC[NH+](CCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001732321320 1288580981 /nfs/dbraw/zinc/58/09/81/1288580981.db2.gz HQPCNOAFRYNPOK-HUUCEWRRSA-N 1 1 352.435 0.492 10 5 FCBEMO Cc1ncsc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001733466624 1288611503 /nfs/dbraw/zinc/61/15/03/1288611503.db2.gz GZTWGADSJSOQPP-VXGBXAGGSA-N 1 1 354.432 0.872 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001735577642 1288757498 /nfs/dbraw/zinc/75/74/98/1288757498.db2.gz UPLLOHMLYLUOOT-HUUCEWRRSA-N 1 1 364.446 0.589 10 5 FCBEMO CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001737133293 1289512328 /nfs/dbraw/zinc/51/23/28/1289512328.db2.gz WKEYMCHWTJANBL-ZIAGYGMSSA-N 1 1 354.451 0.881 10 5 FCBEMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001616657904 1289785542 /nfs/dbraw/zinc/78/55/42/1289785542.db2.gz GOMYURXZBXUIDV-UHFFFAOYSA-N 1 1 350.423 0.718 10 5 FCBEMO O=C(NCC[N@@H+]1CCCOCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001616905973 1289799787 /nfs/dbraw/zinc/79/97/87/1289799787.db2.gz CUZZHKSBTFARNJ-UHFFFAOYSA-N 1 1 360.374 0.628 10 5 FCBEMO O=C(NCC[N@H+]1CCCOCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001616905973 1289799794 /nfs/dbraw/zinc/79/97/94/1289799794.db2.gz CUZZHKSBTFARNJ-UHFFFAOYSA-N 1 1 360.374 0.628 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001620676927 1290015794 /nfs/dbraw/zinc/01/57/94/1290015794.db2.gz GOHRWSANIJQUIX-RYUDHWBXSA-N 1 1 353.375 0.465 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001620676927 1290015802 /nfs/dbraw/zinc/01/58/02/1290015802.db2.gz GOHRWSANIJQUIX-RYUDHWBXSA-N 1 1 353.375 0.465 10 5 FCBEMO COCCC[N@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001620786950 1290019768 /nfs/dbraw/zinc/01/97/68/1290019768.db2.gz BWACZPHHAKMIFO-UHFFFAOYSA-N 1 1 373.431 0.696 10 5 FCBEMO COCCC[N@@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001620786950 1290019779 /nfs/dbraw/zinc/01/97/79/1290019779.db2.gz BWACZPHHAKMIFO-UHFFFAOYSA-N 1 1 373.431 0.696 10 5 FCBEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001627802148 1290487158 /nfs/dbraw/zinc/48/71/58/1290487158.db2.gz HGTRCQMWHXHILU-ZDUSSCGKSA-N 1 1 359.390 0.151 10 5 FCBEMO C[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001630653745 1290686813 /nfs/dbraw/zinc/68/68/13/1290686813.db2.gz AFTHBXCPMBIANV-UHFFFAOYSA-N 1 1 356.404 0.408 10 5 FCBEMO C[N@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001630653745 1290686817 /nfs/dbraw/zinc/68/68/17/1290686817.db2.gz AFTHBXCPMBIANV-UHFFFAOYSA-N 1 1 356.404 0.408 10 5 FCBEMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001643189945 1290855006 /nfs/dbraw/zinc/85/50/06/1290855006.db2.gz PQEFZHXWKBEUET-FWIFWCIWSA-N 1 1 352.391 0.958 10 5 FCBEMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001643189945 1290855016 /nfs/dbraw/zinc/85/50/16/1290855016.db2.gz PQEFZHXWKBEUET-FWIFWCIWSA-N 1 1 352.391 0.958 10 5 FCBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001644116277 1290940690 /nfs/dbraw/zinc/94/06/90/1290940690.db2.gz KRSBHUPGMPFJQA-PZDALLCQSA-N 1 1 360.370 0.906 10 5 FCBEMO CN(C[C@@H](O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC001648043775 1291098931 /nfs/dbraw/zinc/09/89/31/1291098931.db2.gz USZKCMYSSAMYMZ-ZDUSSCGKSA-N 1 1 357.411 0.951 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1CO ZINC001655118579 1291456705 /nfs/dbraw/zinc/45/67/05/1291456705.db2.gz OBCXNXZYFITOMR-CYBMUJFWSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1CO ZINC001655118579 1291456710 /nfs/dbraw/zinc/45/67/10/1291456710.db2.gz OBCXNXZYFITOMR-CYBMUJFWSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1CO ZINC001655118579 1291456711 /nfs/dbraw/zinc/45/67/11/1291456711.db2.gz OBCXNXZYFITOMR-CYBMUJFWSA-N 1 1 352.391 0.540 10 5 FCBEMO CCOc1ccc(NC(=O)CN2CC[N@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001655118781 1291456948 /nfs/dbraw/zinc/45/69/48/1291456948.db2.gz PWEFSGFBMIVVQU-LBPRGKRZSA-N 1 1 352.391 0.540 10 5 FCBEMO CCOc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001655118781 1291456954 /nfs/dbraw/zinc/45/69/54/1291456954.db2.gz PWEFSGFBMIVVQU-LBPRGKRZSA-N 1 1 352.391 0.540 10 5 FCBEMO NC(=O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001659982348 1291649248 /nfs/dbraw/zinc/64/92/48/1291649248.db2.gz IQESRFYNKASHOY-CYBMUJFWSA-N 1 1 353.375 0.301 10 5 FCBEMO C[NH+](C)CC1(C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CC1 ZINC001679009557 1292289337 /nfs/dbraw/zinc/28/93/37/1292289337.db2.gz HSDHBCINIFXQKG-ZIAGYGMSSA-N 1 1 364.446 0.444 10 5 FCBEMO NC(=O)[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C(N)=O ZINC001171944442 850700424 /nfs/dbraw/zinc/70/04/24/850700424.db2.gz ZNPSKMUPLVFTCC-UWVGGRQHSA-N 1 1 371.191 0.376 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC001196284405 852930867 /nfs/dbraw/zinc/93/08/67/852930867.db2.gz BLPWXHGOBOGPBS-LRDDRELGSA-N 1 1 353.375 0.750 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001198326318 853249509 /nfs/dbraw/zinc/24/95/09/853249509.db2.gz CIPPZSNSXVMQKO-GFCCVEGCSA-N 1 1 370.431 0.842 10 5 FCBEMO CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001235837360 857432290 /nfs/dbraw/zinc/43/22/90/857432290.db2.gz SHKKGPIMEBGWDD-RBSFLKMASA-N 1 1 352.391 0.383 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC(C1CC1)C1CC1 ZINC001266591188 859485168 /nfs/dbraw/zinc/48/51/68/859485168.db2.gz BPDJDCVAEZICKM-AAVRWANBSA-N 1 1 350.419 0.193 10 5 FCBEMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1nnn(C(C)(C)C)n1 ZINC001267240856 859500966 /nfs/dbraw/zinc/50/09/66/859500966.db2.gz AZXQZDMPJQQJIQ-VXGBXAGGSA-N 1 1 353.427 0.074 10 5 FCBEMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1nnn(C(C)(C)C)n1 ZINC001267240856 859500973 /nfs/dbraw/zinc/50/09/73/859500973.db2.gz AZXQZDMPJQQJIQ-VXGBXAGGSA-N 1 1 353.427 0.074 10 5 FCBEMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1nnn(C(C)(C)C)n1 ZINC001267240856 859500979 /nfs/dbraw/zinc/50/09/79/859500979.db2.gz AZXQZDMPJQQJIQ-VXGBXAGGSA-N 1 1 353.427 0.074 10 5 FCBEMO CN(CCC[N@@H+](C)CC1CCS(=O)(=O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507753 860512799 /nfs/dbraw/zinc/51/27/99/860512799.db2.gz LXMNZGOPSWZVML-ZIAGYGMSSA-N 1 1 361.464 0.257 10 5 FCBEMO CN(CCC[N@H+](C)CC1CCS(=O)(=O)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273507753 860512803 /nfs/dbraw/zinc/51/28/03/860512803.db2.gz LXMNZGOPSWZVML-ZIAGYGMSSA-N 1 1 361.464 0.257 10 5 FCBEMO CN(CCC[N@@H+](C)CC1CCS(=O)(=O)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273507753 860512809 /nfs/dbraw/zinc/51/28/09/860512809.db2.gz LXMNZGOPSWZVML-ZIAGYGMSSA-N 1 1 361.464 0.257 10 5 FCBEMO NS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001292338709 865735614 /nfs/dbraw/zinc/73/56/14/865735614.db2.gz XHCVDRXOJFMJMJ-LBPRGKRZSA-N 1 1 368.415 0.553 10 5 FCBEMO CC(C)CN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001317076312 867519469 /nfs/dbraw/zinc/51/94/69/867519469.db2.gz PIVPTGXPDPPJRH-QHSBEEBCSA-N 1 1 352.435 0.535 10 5 FCBEMO CNC(=O)C[NH+]1CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000286214059 213462796 /nfs/dbraw/zinc/46/27/96/213462796.db2.gz SKHGEDUUTVAAKR-UHFFFAOYSA-N 1 1 365.390 0.707 10 5 FCBEMO COc1cc(C[N@@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000285257621 213311766 /nfs/dbraw/zinc/31/17/66/213311766.db2.gz ZMSRBRVQRMDBKM-CQSZACIVSA-N 1 1 361.301 0.627 10 5 FCBEMO COc1cc(C[N@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000285257621 213311769 /nfs/dbraw/zinc/31/17/69/213311769.db2.gz ZMSRBRVQRMDBKM-CQSZACIVSA-N 1 1 361.301 0.627 10 5 FCBEMO Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000284923912 213250360 /nfs/dbraw/zinc/25/03/60/213250360.db2.gz HLYYWNCCXLJDLA-CABCVRRESA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000284923912 213250365 /nfs/dbraw/zinc/25/03/65/213250365.db2.gz HLYYWNCCXLJDLA-CABCVRRESA-N 1 1 355.416 0.997 10 5 FCBEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245434632 209368227 /nfs/dbraw/zinc/36/82/27/209368227.db2.gz CLMVVPQVROVQOE-MXAVVETBSA-N 1 1 352.391 0.958 10 5 FCBEMO Cc1ccc(N2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000246212619 209382166 /nfs/dbraw/zinc/38/21/66/209382166.db2.gz PJQPNOKBXVBLGK-OAHLLOKOSA-N 1 1 361.406 0.463 10 5 FCBEMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000369169768 216357589 /nfs/dbraw/zinc/35/75/89/216357589.db2.gz IRQMJUBIGODEPH-AWEZNQCLSA-N 1 1 351.407 0.895 10 5 FCBEMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1(CO)CC1 ZINC000186812546 209199121 /nfs/dbraw/zinc/19/91/21/209199121.db2.gz WLLBCYVQUPZTIO-UHFFFAOYSA-N 1 1 362.430 0.948 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000427628103 247536504 /nfs/dbraw/zinc/53/65/04/247536504.db2.gz GAAIYCRBQKICGN-LLVKDONJSA-N 1 1 373.435 0.002 10 5 FCBEMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443689746 248336376 /nfs/dbraw/zinc/33/63/76/248336376.db2.gz BQIZGKACPIHLFA-UHFFFAOYSA-N 1 1 370.431 0.178 10 5 FCBEMO Cc1c(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000453819897 249374143 /nfs/dbraw/zinc/37/41/43/249374143.db2.gz NUYJWXURMQUTKL-ZDUSSCGKSA-N 1 1 364.402 0.805 10 5 FCBEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000109125131 208254868 /nfs/dbraw/zinc/25/48/68/208254868.db2.gz XKJIINBSCCMPSA-HNNXBMFYSA-N 1 1 374.401 0.704 10 5 FCBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)nc1 ZINC000246486934 488473691 /nfs/dbraw/zinc/47/36/91/488473691.db2.gz GWWJKMRMOXSRKH-HIFRSBDPSA-N 1 1 351.407 0.169 10 5 FCBEMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246931779 488478173 /nfs/dbraw/zinc/47/81/73/488478173.db2.gz AUHOQGRBSOOVKO-IJEWVQPXSA-N 1 1 353.419 0.721 10 5 FCBEMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000115275131 488543719 /nfs/dbraw/zinc/54/37/19/488543719.db2.gz ISOSCYMAEQVFJF-CHWSQXEVSA-N 1 1 354.411 0.440 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2CCC[N@@H+](CCOC)CC2)c([N+](=O)[O-])c1 ZINC000267501359 488791795 /nfs/dbraw/zinc/79/17/95/488791795.db2.gz LAAFQQMOWGEJRR-UHFFFAOYSA-N 1 1 372.447 0.661 10 5 FCBEMO CCOCC[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1CC ZINC000162078501 488800697 /nfs/dbraw/zinc/80/06/97/488800697.db2.gz BQUFYBQALTVKEM-CQSZACIVSA-N 1 1 368.438 0.934 10 5 FCBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173106116 488841082 /nfs/dbraw/zinc/84/10/82/488841082.db2.gz FLKPVPOPDZZPLM-CQSZACIVSA-N 1 1 350.419 0.946 10 5 FCBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173938234 488846540 /nfs/dbraw/zinc/84/65/40/488846540.db2.gz FHXZEYIVTWCGEK-HOTGVXAUSA-N 1 1 351.403 0.741 10 5 FCBEMO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@H+]1C[C@@H](C)O ZINC000174637360 488850423 /nfs/dbraw/zinc/85/04/23/488850423.db2.gz WVRCKWZCTRZADK-OCCSQVGLSA-N 1 1 353.423 0.793 10 5 FCBEMO Cc1nc(C[C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000174770672 488851147 /nfs/dbraw/zinc/85/11/47/488851147.db2.gz ADERKISSPOVMFV-OCCSQVGLSA-N 1 1 350.379 0.798 10 5 FCBEMO C[N@H+]1CCCC[C@H]1CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290619981 489153199 /nfs/dbraw/zinc/15/31/99/489153199.db2.gz LIHVQPIPXNSYCC-ZDUSSCGKSA-N 1 1 362.434 0.695 10 5 FCBEMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000299080416 489402929 /nfs/dbraw/zinc/40/29/29/489402929.db2.gz RIZJFQZRTCYGBB-AWEZNQCLSA-N 1 1 361.402 0.890 10 5 FCBEMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000299491591 489447302 /nfs/dbraw/zinc/44/73/02/489447302.db2.gz GWXJCXBEYNTGHD-UHFFFAOYSA-N 1 1 362.386 0.640 10 5 FCBEMO CCn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000363623326 489484209 /nfs/dbraw/zinc/48/42/09/489484209.db2.gz KNEJWZVQQFKHJN-OAHLLOKOSA-N 1 1 374.397 0.969 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426485651 489569757 /nfs/dbraw/zinc/56/97/57/489569757.db2.gz OOBKQOIPQRMGIZ-CYBMUJFWSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000426485651 489569759 /nfs/dbraw/zinc/56/97/59/489569759.db2.gz OOBKQOIPQRMGIZ-CYBMUJFWSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000426485651 489569762 /nfs/dbraw/zinc/56/97/62/489569762.db2.gz OOBKQOIPQRMGIZ-CYBMUJFWSA-N 1 1 366.418 0.930 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000416299732 489579958 /nfs/dbraw/zinc/57/99/58/489579958.db2.gz SLOQVPIHSCJOBF-CHWSQXEVSA-N 1 1 374.401 0.703 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000416299732 489579960 /nfs/dbraw/zinc/57/99/60/489579960.db2.gz SLOQVPIHSCJOBF-CHWSQXEVSA-N 1 1 374.401 0.703 10 5 FCBEMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428156875 489640405 /nfs/dbraw/zinc/64/04/05/489640405.db2.gz NZHMJKZKIBDQCU-STQMWFEESA-N 1 1 364.402 0.238 10 5 FCBEMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428156875 489640408 /nfs/dbraw/zinc/64/04/08/489640408.db2.gz NZHMJKZKIBDQCU-STQMWFEESA-N 1 1 364.402 0.238 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000494431034 489891472 /nfs/dbraw/zinc/89/14/72/489891472.db2.gz CSEIMIMUDJGWQQ-ZDUSSCGKSA-N 1 1 364.402 0.757 10 5 FCBEMO COC(=O)c1cc(C)nc(NC[C@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000450609117 490479185 /nfs/dbraw/zinc/47/91/85/490479185.db2.gz DTSVSLWMKBOINJ-GFCCVEGCSA-N 1 1 352.391 1.344 10 5 FCBEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000535421943 490488610 /nfs/dbraw/zinc/48/86/10/490488610.db2.gz BGXSNDIBQYJLEH-GFCCVEGCSA-N 1 1 365.386 0.895 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423036819 490526056 /nfs/dbraw/zinc/52/60/56/490526056.db2.gz LQZXYXPBXGVIAF-CVEARBPZSA-N 1 1 369.443 0.725 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501058248 490574600 /nfs/dbraw/zinc/57/46/00/490574600.db2.gz IWUODXDSRGPBNM-NSHDSACASA-N 1 1 356.404 0.676 10 5 FCBEMO CN1CCN(C[C@H](O)C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000571993790 491341764 /nfs/dbraw/zinc/34/17/64/491341764.db2.gz MESCSKQTULLTTG-OAHLLOKOSA-N 1 1 356.854 0.989 10 5 FCBEMO CN(C)c1nc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000530770201 490923550 /nfs/dbraw/zinc/92/35/50/490923550.db2.gz KRDOHQJTGGTXHE-UHFFFAOYSA-N 1 1 371.401 0.876 10 5 FCBEMO C[N@H+]1CC[C@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000518395266 490939421 /nfs/dbraw/zinc/93/94/21/490939421.db2.gz HLMSTFLXZBQELL-GFCCVEGCSA-N 1 1 370.431 0.331 10 5 FCBEMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590354957 491774126 /nfs/dbraw/zinc/77/41/26/491774126.db2.gz FJTYTRGSIFSNFY-INIZCTEOSA-N 1 1 370.413 0.900 10 5 FCBEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590354978 491774181 /nfs/dbraw/zinc/77/41/81/491774181.db2.gz GTNWPMXRHQXOGA-MRXNPFEDSA-N 1 1 370.413 0.900 10 5 FCBEMO COc1ccc(C(=O)NCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590447221 491777037 /nfs/dbraw/zinc/77/70/37/491777037.db2.gz WKNRKVZXQNTUSD-OCCSQVGLSA-N 1 1 362.386 0.496 10 5 FCBEMO O=C(NCC(=O)N1CC[NH2+]C[C@H]1C(F)F)NCc1ccc([N+](=O)[O-])cc1 ZINC000581549160 491777284 /nfs/dbraw/zinc/77/72/84/491777284.db2.gz AFPAMWRZDQMYJP-LBPRGKRZSA-N 1 1 371.344 0.460 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000590562480 491779595 /nfs/dbraw/zinc/77/95/95/491779595.db2.gz LVHWDZIMOFUVOV-UONOGXRCSA-N 1 1 351.407 0.811 10 5 FCBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595869048 491958073 /nfs/dbraw/zinc/95/80/73/491958073.db2.gz TUDPQMPNKZLFJH-SJORKVTESA-N 1 1 365.430 0.866 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596275940 491982122 /nfs/dbraw/zinc/98/21/22/491982122.db2.gz XANPRYIZJXNSHV-QWRGUYRKSA-N 1 1 358.420 0.134 10 5 FCBEMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000597626406 492052520 /nfs/dbraw/zinc/05/25/20/492052520.db2.gz UBJSEPOCCYURJX-GFCCVEGCSA-N 1 1 354.357 0.922 10 5 FCBEMO COc1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c([N+](=O)[O-])cc1F ZINC000597627466 492052928 /nfs/dbraw/zinc/05/29/28/492052928.db2.gz UPROZRQAPTYNFC-NSHDSACASA-N 1 1 352.366 0.862 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000598367278 492096393 /nfs/dbraw/zinc/09/63/93/492096393.db2.gz 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361.402 0.051 10 5 FCBEMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000840060387 1222768394 /nfs/dbraw/zinc/76/83/94/1222768394.db2.gz RGPWLOSLQUHWEO-SJORKVTESA-N 1 1 360.370 0.702 10 5 FCBEMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000840060387 1222768400 /nfs/dbraw/zinc/76/84/00/1222768400.db2.gz RGPWLOSLQUHWEO-SJORKVTESA-N 1 1 360.370 0.702 10 5 FCBEMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1CCO ZINC000841452265 1222822932 /nfs/dbraw/zinc/82/29/32/1222822932.db2.gz BXWVLZFQWBUPFF-OLZOCXBDSA-N 1 1 361.402 0.858 10 5 FCBEMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1CCO ZINC000841452265 1222822935 /nfs/dbraw/zinc/82/29/35/1222822935.db2.gz BXWVLZFQWBUPFF-OLZOCXBDSA-N 1 1 361.402 0.858 10 5 FCBEMO CC1([NH2+]CC(=O)Nc2cnccn2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001327981586 1265466031 /nfs/dbraw/zinc/46/60/31/1265466031.db2.gz FJHJHPBLLSMSJD-VXGBXAGGSA-N 1 1 362.390 0.051 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001335553568 1259713062 /nfs/dbraw/zinc/71/30/62/1259713062.db2.gz XXXAZOMASCCSSY-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001335553568 1259713066 /nfs/dbraw/zinc/71/30/66/1259713066.db2.gz XXXAZOMASCCSSY-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001335553568 1259713070 /nfs/dbraw/zinc/71/30/70/1259713070.db2.gz XXXAZOMASCCSSY-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO Cc1ccccc1CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001265476868 1260414681 /nfs/dbraw/zinc/41/46/81/1260414681.db2.gz TTZVBCQKNHRKPE-KLHDSHLOSA-N 1 1 360.414 0.513 10 5 FCBEMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001473736859 1261494182 /nfs/dbraw/zinc/49/41/82/1261494182.db2.gz LLXJNPNBOSJFHI-TXEJJXNPSA-N 1 1 351.359 0.425 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001293825102 1262721961 /nfs/dbraw/zinc/72/19/61/1262721961.db2.gz BPNHJPCOPUOYAV-HZPDHXFCSA-N 1 1 366.462 0.882 10 5 FCBEMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001293982275 1262724416 /nfs/dbraw/zinc/72/44/16/1262724416.db2.gz PNGIVDHVSDXXDR-SFHVURJKSA-N 1 1 373.413 0.853 10 5 FCBEMO CN(C)C(=O)c1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001483464577 1263443291 /nfs/dbraw/zinc/44/32/91/1263443291.db2.gz NOQIOMBXQLJORS-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493781734 1263741603 /nfs/dbraw/zinc/74/16/03/1263741603.db2.gz DBHQRCWZLDQMAE-QKPAOTATSA-N 1 1 364.446 0.729 10 5 FCBEMO C[NH+](C)C1(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001494435936 1263768247 /nfs/dbraw/zinc/76/82/47/1263768247.db2.gz ZKZYFDAWSZMTKF-SSZWKKLZSA-N 1 1 364.446 0.489 10 5 FCBEMO Cn1nc(C(F)(F)F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497584301 1263940882 /nfs/dbraw/zinc/94/08/82/1263940882.db2.gz POHHFLJFCRTVTR-LVUHIJSRSA-N 1 1 361.324 0.866 10 5 FCBEMO CCN(CC)C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001499584296 1264035693 /nfs/dbraw/zinc/03/56/93/1264035693.db2.gz ZULSIMLINHJGNB-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO COc1coc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)cc1=O ZINC001501950964 1264157195 /nfs/dbraw/zinc/15/71/95/1264157195.db2.gz SNQJSRBPWMAFTO-VXGBXAGGSA-N 1 1 351.359 0.442 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC001502869020 1264184058 /nfs/dbraw/zinc/18/40/58/1264184058.db2.gz AJYYZPRKMQXTLA-CHWSQXEVSA-N 1 1 368.821 0.843 10 5 FCBEMO COCCCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001503723667 1264221922 /nfs/dbraw/zinc/22/19/22/1264221922.db2.gz PYEWVLOEBBBXAH-HUUCEWRRSA-N 1 1 355.435 0.772 10 5 FCBEMO COCCCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001503723667 1264221924 /nfs/dbraw/zinc/22/19/24/1264221924.db2.gz PYEWVLOEBBBXAH-HUUCEWRRSA-N 1 1 355.435 0.772 10 5 FCBEMO COCCCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001503723667 1264221932 /nfs/dbraw/zinc/22/19/32/1264221932.db2.gz PYEWVLOEBBBXAH-HUUCEWRRSA-N 1 1 355.435 0.772 10 5 FCBEMO COc1coc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1=O ZINC001505811574 1264280292 /nfs/dbraw/zinc/28/02/92/1264280292.db2.gz LZJILWFSIWTDHR-CHWSQXEVSA-N 1 1 367.402 0.888 10 5 FCBEMO CC(C)NC(=O)NCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001326512871 1265123667 /nfs/dbraw/zinc/12/36/67/1265123667.db2.gz OGHXKUXDJDCADA-KBUPBQIOSA-N 1 1 369.466 0.624 10 5 FCBEMO O=C(N[C@H]1CC[C@H](C[NH2+]CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001326512638 1265123937 /nfs/dbraw/zinc/12/39/37/1265123937.db2.gz JMGZEMVAVNDBMW-KLHDSHLOSA-N 1 1 366.462 0.929 10 5 FCBEMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001544139215 1267571118 /nfs/dbraw/zinc/57/11/18/1267571118.db2.gz KBQQMBNASBFWAE-YGRLFVJLSA-N 1 1 351.363 0.867 10 5 FCBEMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001544139213 1267571255 /nfs/dbraw/zinc/57/12/55/1267571255.db2.gz KBQQMBNASBFWAE-IINYFYTJSA-N 1 1 351.363 0.867 10 5 FCBEMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC[N@@H+](C)CCO ZINC001557695460 1268966915 /nfs/dbraw/zinc/96/69/15/1268966915.db2.gz UHDIBOQKYRRUDP-GFCCVEGCSA-N 1 1 356.427 0.210 10 5 FCBEMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC([NH2+]C2COC2)C1 ZINC001558610887 1269122205 /nfs/dbraw/zinc/12/22/05/1269122205.db2.gz BLCGEDFFHWSBLN-UHFFFAOYSA-N 1 1 358.354 0.721 10 5 FCBEMO CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001566429051 1269642408 /nfs/dbraw/zinc/64/24/08/1269642408.db2.gz SOUKJFUVQPTEKG-LBPRGKRZSA-N 1 1 370.431 0.426 10 5 FCBEMO O=C(NCCN1CCC([NH2+]CC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001569886487 1269814223 /nfs/dbraw/zinc/81/42/23/1269814223.db2.gz CMVDVALNJMDVFV-HZPDHXFCSA-N 1 1 354.451 0.248 10 5 FCBEMO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001573141552 1270615676 /nfs/dbraw/zinc/61/56/76/1270615676.db2.gz ZGXGPMFUMKDYCP-LXTVHRRPSA-N 1 1 352.435 0.539 10 5 FCBEMO CN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nccs1 ZINC001713192707 1287269118 /nfs/dbraw/zinc/26/91/18/1287269118.db2.gz VYXDUFKHMGLSEX-LMLFDSFASA-N 1 1 353.404 0.008 10 5 FCBEMO CN(CC[N@@H+](C)CCO)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001585898660 1282254540 /nfs/dbraw/zinc/25/45/40/1282254540.db2.gz DSPJNNAVFMQKPT-UHFFFAOYSA-N 1 1 361.402 0.991 10 5 FCBEMO C[N@H+]1CC[C@H](CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001633693918 1282267910 /nfs/dbraw/zinc/26/79/10/1282267910.db2.gz KPEORKBWCDYUIQ-GFCCVEGCSA-N 1 1 355.416 0.827 10 5 FCBEMO CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC001640948417 1282915968 /nfs/dbraw/zinc/91/59/68/1282915968.db2.gz MURQSKGKIJDBSL-LLVKDONJSA-N 1 1 360.370 0.743 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001642574185 1283022352 /nfs/dbraw/zinc/02/23/52/1283022352.db2.gz IQXHWHIVBBEHET-CQSZACIVSA-N 1 1 373.413 0.978 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001642574185 1283022362 /nfs/dbraw/zinc/02/23/62/1283022362.db2.gz IQXHWHIVBBEHET-CQSZACIVSA-N 1 1 373.413 0.978 10 5 FCBEMO C[N@@H+](CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001681855212 1283511525 /nfs/dbraw/zinc/51/15/25/1283511525.db2.gz CAQGTZFPAHGUKN-HZPDHXFCSA-N 1 1 364.446 0.801 10 5 FCBEMO C[N@H+](CC(=O)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001681855212 1283511535 /nfs/dbraw/zinc/51/15/35/1283511535.db2.gz CAQGTZFPAHGUKN-HZPDHXFCSA-N 1 1 364.446 0.801 10 5 FCBEMO C[N@@H+](CC(=O)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001681855212 1283511541 /nfs/dbraw/zinc/51/15/41/1283511541.db2.gz CAQGTZFPAHGUKN-HZPDHXFCSA-N 1 1 364.446 0.801 10 5 FCBEMO CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccc1C[NH+](C)C ZINC001704884726 1286314536 /nfs/dbraw/zinc/31/45/36/1286314536.db2.gz UXIRZPKNRYGZSK-HZPDHXFCSA-N 1 1 362.430 0.944 10 5 FCBEMO O=C(C[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCC1 ZINC001732321887 1288580784 /nfs/dbraw/zinc/58/07/84/1288580784.db2.gz RAQCZPLZGFGYRN-HUUCEWRRSA-N 1 1 352.435 0.492 10 5 FCBEMO CC1([NH2+]CC(=O)NCC(F)(F)F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733862667 1288633472 /nfs/dbraw/zinc/63/34/72/1288633472.db2.gz KXBMXWWOZLFUPQ-NXEZZACHSA-N 1 1 366.340 0.301 10 5 FCBEMO CCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001733911511 1288635008 /nfs/dbraw/zinc/63/50/08/1288635008.db2.gz QXMVKLOXCZSCFA-ZIAGYGMSSA-N 1 1 352.435 0.492 10 5 FCBEMO CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001737370407 1289537383 /nfs/dbraw/zinc/53/73/83/1289537383.db2.gz YPMSVOWYDFRQSK-HUUCEWRRSA-N 1 1 354.451 0.833 10 5 FCBEMO CC(C)NC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001700623371 1289599367 /nfs/dbraw/zinc/59/93/67/1289599367.db2.gz XJVMJHIINNXTSJ-KFZJALRRSA-N 1 1 352.435 0.347 10 5 FCBEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001615912417 1289764137 /nfs/dbraw/zinc/76/41/37/1289764137.db2.gz WHXRUVFHKYWQJJ-LBPRGKRZSA-N 1 1 350.423 0.575 10 5 FCBEMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC001617651039 1289853709 /nfs/dbraw/zinc/85/37/09/1289853709.db2.gz UQFKLGJYYDUBFF-CYZMBNFOSA-N 1 1 360.370 0.959 10 5 FCBEMO CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001620119620 1289974750 /nfs/dbraw/zinc/97/47/50/1289974750.db2.gz UTFUHPKSWZZDTO-INIZCTEOSA-N 1 1 362.390 0.918 10 5 FCBEMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001620463142 1289989801 /nfs/dbraw/zinc/98/98/01/1289989801.db2.gz WDDMIGFUIFTIRX-UHFFFAOYSA-N 1 1 351.363 0.709 10 5 FCBEMO CN1CC[NH+](CCCNC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001623354990 1290214364 /nfs/dbraw/zinc/21/43/64/1290214364.db2.gz JYSNDRHGAURPHX-UHFFFAOYSA-N 1 1 373.417 0.543 10 5 FCBEMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001626354264 1290392548 /nfs/dbraw/zinc/39/25/48/1290392548.db2.gz RXQMKPLKPKPZKQ-OAHLLOKOSA-N 1 1 361.402 0.731 10 5 FCBEMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC001629046131 1290573406 /nfs/dbraw/zinc/57/34/06/1290573406.db2.gz NCRQBOPZGICFKR-NSHDSACASA-N 1 1 351.359 0.957 10 5 FCBEMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC001629046131 1290573415 /nfs/dbraw/zinc/57/34/15/1290573415.db2.gz NCRQBOPZGICFKR-NSHDSACASA-N 1 1 351.359 0.957 10 5 FCBEMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1c[nH+]c2n1CCC2 ZINC001644623492 1290968681 /nfs/dbraw/zinc/96/86/81/1290968681.db2.gz ZKUNFHLEUPYTJW-UHFFFAOYSA-N 1 1 369.337 0.650 10 5 FCBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001653670070 1291362330 /nfs/dbraw/zinc/36/23/30/1291362330.db2.gz VHDLHVDOUGMUQS-FXAINCCUSA-N 1 1 357.326 0.910 10 5 FCBEMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001654290746 1291404852 /nfs/dbraw/zinc/40/48/52/1291404852.db2.gz BKCAMQWHYLVBKL-WBMJQRKESA-N 1 1 351.359 0.710 10 5 FCBEMO C[C@]1(CO)C[C@@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001654290745 1291404933 /nfs/dbraw/zinc/40/49/33/1291404933.db2.gz BKCAMQWHYLVBKL-MLGOLLRUSA-N 1 1 351.359 0.710 10 5 FCBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001654477861 1291413309 /nfs/dbraw/zinc/41/33/09/1291413309.db2.gz LHUUGCOROYSQPH-LWNYNHHKSA-N 1 1 360.370 0.906 10 5 FCBEMO 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CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000285707653 213381389 /nfs/dbraw/zinc/38/13/89/213381389.db2.gz STXAZDWJCGXHKT-CABCVRRESA-N 1 1 357.432 0.984 10 5 FCBEMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000285707653 213381392 /nfs/dbraw/zinc/38/13/92/213381392.db2.gz STXAZDWJCGXHKT-CABCVRRESA-N 1 1 357.432 0.984 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285126940 213287654 /nfs/dbraw/zinc/28/76/54/213287654.db2.gz RKFYEKDTBOUSEY-KBPBESRZSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285126940 213287657 /nfs/dbraw/zinc/28/76/57/213287657.db2.gz RKFYEKDTBOUSEY-KBPBESRZSA-N 1 1 355.416 0.997 10 5 FCBEMO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367290798 216103559 /nfs/dbraw/zinc/10/35/59/216103559.db2.gz MOQYIJMYJFCMKS-LBPRGKRZSA-N 1 1 352.301 0.855 10 5 FCBEMO NC(=O)c1ccc(SCC(=O)N2CC[NH2+]C[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000367392780 216117217 /nfs/dbraw/zinc/11/72/17/216117217.db2.gz UPYJOCUXORBGCS-JTQLQIEISA-N 1 1 374.369 0.851 10 5 FCBEMO COC(=O)[C@]12C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1COCC2 ZINC000373795393 217061129 /nfs/dbraw/zinc/06/11/29/217061129.db2.gz DPJTVIDRJNZMAF-BLLLJJGKSA-N 1 1 351.359 0.268 10 5 FCBEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000181455913 209113868 /nfs/dbraw/zinc/11/38/68/209113868.db2.gz DYWTVZVMKMUHQJ-HNNXBMFYSA-N 1 1 372.385 0.231 10 5 FCBEMO CN(CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000181394791 209113283 /nfs/dbraw/zinc/11/32/83/209113283.db2.gz VPSUWYGRHRPUIQ-MRXNPFEDSA-N 1 1 358.402 0.938 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419344324 246106204 /nfs/dbraw/zinc/10/62/04/246106204.db2.gz RXBKDVHWMYOBBM-ZIAGYGMSSA-N 1 1 350.419 0.945 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000473417575 250228946 /nfs/dbraw/zinc/22/89/46/250228946.db2.gz CFVYUZYFDCQQMH-UHFFFAOYSA-N 1 1 366.422 0.149 10 5 FCBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000111614313 208283695 /nfs/dbraw/zinc/28/36/95/208283695.db2.gz KBZHSERIOGQUOZ-CYBMUJFWSA-N 1 1 374.397 0.965 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363694180 488874982 /nfs/dbraw/zinc/87/49/82/488874982.db2.gz QWDSEAIMHNJGMT-STQMWFEESA-N 1 1 371.415 0.745 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363694180 488874984 /nfs/dbraw/zinc/87/49/84/488874984.db2.gz QWDSEAIMHNJGMT-STQMWFEESA-N 1 1 371.415 0.745 10 5 FCBEMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000326410982 488915308 /nfs/dbraw/zinc/91/53/08/488915308.db2.gz KUDKSZAZRYXSCJ-UHFFFAOYSA-N 1 1 359.404 1.000 10 5 FCBEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247462613 488486672 /nfs/dbraw/zinc/48/66/72/488486672.db2.gz IMERQOZYECVXAX-NVXWUHKLSA-N 1 1 366.466 0.254 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270606561 488517270 /nfs/dbraw/zinc/51/72/70/488517270.db2.gz HPPRLSOAYKSPCY-JTQLQIEISA-N 1 1 351.363 0.675 10 5 FCBEMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000119649412 488558294 /nfs/dbraw/zinc/55/82/94/488558294.db2.gz FZWDWLOEKZMDGQ-AWEZNQCLSA-N 1 1 373.417 0.513 10 5 FCBEMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000130185414 488636414 /nfs/dbraw/zinc/63/64/14/488636414.db2.gz DKMOITHZTHKDGN-UHFFFAOYSA-N 1 1 351.407 0.883 10 5 FCBEMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000273209131 488638130 /nfs/dbraw/zinc/63/81/30/488638130.db2.gz VEIHBQOAUVXEQX-JTQLQIEISA-N 1 1 374.394 0.686 10 5 FCBEMO Cc1nc(CN2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)no1 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/nfs/dbraw/zinc/03/05/44/489030544.db2.gz LWXMJMONJUHACE-UHFFFAOYSA-N 1 1 368.415 0.180 10 5 FCBEMO O=C1NC(=O)[C@@]2(CCC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)N1 ZINC000365518874 489083444 /nfs/dbraw/zinc/08/34/44/489083444.db2.gz WZLSGZJWSKUQAJ-GUYCJALGSA-N 1 1 373.369 0.374 10 5 FCBEMO O=C1NC(=O)[C@@]2(CCC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)N1 ZINC000365518874 489083447 /nfs/dbraw/zinc/08/34/47/489083447.db2.gz WZLSGZJWSKUQAJ-GUYCJALGSA-N 1 1 373.369 0.374 10 5 FCBEMO O=C1NC(=O)[C@@]2(CCC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)N1 ZINC000365518873 489083801 /nfs/dbraw/zinc/08/38/01/489083801.db2.gz WZLSGZJWSKUQAJ-DYVFJYSZSA-N 1 1 373.369 0.374 10 5 FCBEMO O=C1NC(=O)[C@@]2(CCC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)N1 ZINC000365518873 489083802 /nfs/dbraw/zinc/08/38/02/489083802.db2.gz WZLSGZJWSKUQAJ-DYVFJYSZSA-N 1 1 373.369 0.374 10 5 FCBEMO CNC(=O)CN1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363133103 489428419 /nfs/dbraw/zinc/42/84/19/489428419.db2.gz MLBMQBTZEBKEGQ-UHFFFAOYSA-N 1 1 363.418 0.677 10 5 FCBEMO COC(=O)COc1ccc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000414479428 489501041 /nfs/dbraw/zinc/50/10/41/489501041.db2.gz AUTKWEAMJXOVGK-UHFFFAOYSA-N 1 1 351.359 0.857 10 5 FCBEMO COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000451665062 489515081 /nfs/dbraw/zinc/51/50/81/489515081.db2.gz PMVZBDPZWJLDQG-LBPRGKRZSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000451665062 489515083 /nfs/dbraw/zinc/51/50/83/489515083.db2.gz PMVZBDPZWJLDQG-LBPRGKRZSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451666939 489516002 /nfs/dbraw/zinc/51/60/02/489516002.db2.gz SSXGGYGSWLXTID-ZDUSSCGKSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451666939 489516003 /nfs/dbraw/zinc/51/60/03/489516003.db2.gz SSXGGYGSWLXTID-ZDUSSCGKSA-N 1 1 373.431 0.729 10 5 FCBEMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000451673281 489517159 /nfs/dbraw/zinc/51/71/59/489517159.db2.gz VDMVSMMGRBGLCA-OAHLLOKOSA-N 1 1 371.459 0.904 10 5 FCBEMO COc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)nc1 ZINC000452060458 489541715 /nfs/dbraw/zinc/54/17/15/489541715.db2.gz RDCXZAIOXGXYOL-UHFFFAOYSA-N 1 1 359.386 0.982 10 5 FCBEMO Cc1nn(CCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000416302739 489580942 /nfs/dbraw/zinc/58/09/42/489580942.db2.gz WYNDDJZCGVHAFH-VXGBXAGGSA-N 1 1 353.423 0.712 10 5 FCBEMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000416316051 489582225 /nfs/dbraw/zinc/58/22/25/489582225.db2.gz VPFSRUZFJMCPLP-QWRGUYRKSA-N 1 1 351.359 0.851 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000416316051 489582232 /nfs/dbraw/zinc/58/22/32/489582232.db2.gz VPFSRUZFJMCPLP-QWRGUYRKSA-N 1 1 351.359 0.851 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000427455604 489609197 /nfs/dbraw/zinc/60/91/97/489609197.db2.gz CXACSCWOBGAERL-LLVKDONJSA-N 1 1 352.395 0.128 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457901314 489662632 /nfs/dbraw/zinc/66/26/32/489662632.db2.gz MAXQZQRWLSUKQU-GFCCVEGCSA-N 1 1 352.391 0.811 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457901314 489662633 /nfs/dbraw/zinc/66/26/33/489662633.db2.gz MAXQZQRWLSUKQU-GFCCVEGCSA-N 1 1 352.391 0.811 10 5 FCBEMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428950304 489668226 /nfs/dbraw/zinc/66/82/26/489668226.db2.gz DQSWTSXVNAGJHF-KRWDZBQOSA-N 1 1 374.401 0.282 10 5 FCBEMO C[N@@H+](Cc1nc(-c2cccnc2)no1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000489863965 489731787 /nfs/dbraw/zinc/73/17/87/489731787.db2.gz UAUIHFKZIJLDKD-ZDUSSCGKSA-N 1 1 359.346 0.729 10 5 FCBEMO C[N@H+](Cc1nc(-c2cccnc2)no1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 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ZMHQVFNLJJUJMW-QWHCGFSZSA-N 1 1 369.447 0.758 10 5 FCBEMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000518665543 490948352 /nfs/dbraw/zinc/94/83/52/490948352.db2.gz HRCJEZDPLKWAIL-CYBMUJFWSA-N 1 1 373.431 0.993 10 5 FCBEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000518665543 490948354 /nfs/dbraw/zinc/94/83/54/490948354.db2.gz HRCJEZDPLKWAIL-CYBMUJFWSA-N 1 1 373.431 0.993 10 5 FCBEMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000544663207 490975050 /nfs/dbraw/zinc/97/50/50/490975050.db2.gz PRZRSQRBENZUDE-UHFFFAOYSA-N 1 1 357.432 0.900 10 5 FCBEMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000544663207 490975051 /nfs/dbraw/zinc/97/50/51/490975051.db2.gz PRZRSQRBENZUDE-UHFFFAOYSA-N 1 1 357.432 0.900 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000567470189 491508203 /nfs/dbraw/zinc/50/82/03/491508203.db2.gz SZPRRBSLZFUGCQ-UHFFFAOYSA-N 1 1 350.423 0.432 10 5 FCBEMO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)(N2CCCCC2)CC1 ZINC000586789132 491732608 /nfs/dbraw/zinc/73/26/08/491732608.db2.gz DNJFOXREYQCXLO-UHFFFAOYSA-N 1 1 350.423 0.998 10 5 FCBEMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590442904 491776640 /nfs/dbraw/zinc/77/66/40/491776640.db2.gz HZBWCXPRYVIEKN-FRRDWIJNSA-N 1 1 350.423 0.990 10 5 FCBEMO Cc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444249 491776869 /nfs/dbraw/zinc/77/68/69/491776869.db2.gz NCXPAYUAGOIACZ-YGRLFVJLSA-N 1 1 368.415 0.327 10 5 FCBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445051 491777132 /nfs/dbraw/zinc/77/71/32/491777132.db2.gz PXDQOUJUXODDOP-CMPLNLGQSA-N 1 1 354.388 0.018 10 5 FCBEMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594847385 491865894 /nfs/dbraw/zinc/86/58/94/491865894.db2.gz PVRQUDLELVOXCN-UHFFFAOYSA-N 1 1 357.388 0.564 10 5 FCBEMO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595384746 491926876 /nfs/dbraw/zinc/92/68/76/491926876.db2.gz MEJNLOFWUFWDMQ-LBPRGKRZSA-N 1 1 356.404 0.210 10 5 FCBEMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595664777 491947621 /nfs/dbraw/zinc/94/76/21/491947621.db2.gz VHLSWCDOGPMQQG-SMDDNHRTSA-N 1 1 353.331 0.462 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862815 491957335 /nfs/dbraw/zinc/95/73/35/491957335.db2.gz HCUSEIRCTITRJU-HZPDHXFCSA-N 1 1 365.430 0.866 10 5 FCBEMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595869045 491958116 /nfs/dbraw/zinc/95/81/16/491958116.db2.gz TUDPQMPNKZLFJH-DLBZAZTESA-N 1 1 365.430 0.866 10 5 FCBEMO COc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c([N+](=O)[O-])cc1F ZINC000597627463 492052916 /nfs/dbraw/zinc/05/29/16/492052916.db2.gz UPROZRQAPTYNFC-LLVKDONJSA-N 1 1 352.366 0.862 10 5 FCBEMO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000597989991 492076639 /nfs/dbraw/zinc/07/66/39/492076639.db2.gz JBVQUMIGUAYUBD-AWEZNQCLSA-N 1 1 359.386 0.825 10 5 FCBEMO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000599131314 492137705 /nfs/dbraw/zinc/13/77/05/492137705.db2.gz PLDYSMMKLFEREJ-GOSISDBHSA-N 1 1 373.413 1.566 10 5 FCBEMO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000599131314 492137707 /nfs/dbraw/zinc/13/77/07/492137707.db2.gz PLDYSMMKLFEREJ-GOSISDBHSA-N 1 1 373.413 1.566 10 5 FCBEMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212295 492143035 /nfs/dbraw/zinc/14/30/35/492143035.db2.gz CJVOUSYQARCDDR-TXEJJXNPSA-N 1 1 359.452 0.975 10 5 FCBEMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256073 492149781 /nfs/dbraw/zinc/14/97/81/492149781.db2.gz RCEVCAKECDVBGM-GRYCIOLGSA-N 1 1 359.452 0.973 10 5 FCBEMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609121275 492197788 /nfs/dbraw/zinc/19/77/88/492197788.db2.gz KINPQPAZUFXNKY-SNVBAGLBSA-N 1 1 357.388 0.739 10 5 FCBEMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609121275 492197790 /nfs/dbraw/zinc/19/77/90/492197790.db2.gz KINPQPAZUFXNKY-SNVBAGLBSA-N 1 1 357.388 0.739 10 5 FCBEMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690946 492199942 /nfs/dbraw/zinc/19/99/42/492199942.db2.gz CIUQOKWSTWKWRU-LLVKDONJSA-N 1 1 370.431 0.455 10 5 FCBEMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690946 492199943 /nfs/dbraw/zinc/19/99/43/492199943.db2.gz CIUQOKWSTWKWRU-LLVKDONJSA-N 1 1 370.431 0.455 10 5 FCBEMO COC(=O)c1cc(C)nc(N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413494170 533770323 /nfs/dbraw/zinc/77/03/23/533770323.db2.gz GWSZJJCSOSVVBA-NSHDSACASA-N 1 1 366.374 0.626 10 5 FCBEMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413494170 533770331 /nfs/dbraw/zinc/77/03/31/533770331.db2.gz GWSZJJCSOSVVBA-NSHDSACASA-N 1 1 366.374 0.626 10 5 FCBEMO O=C1OCC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000784222889 668647599 /nfs/dbraw/zinc/64/75/99/668647599.db2.gz RAPUZDDXHULGFS-OLZOCXBDSA-N 1 1 351.359 0.861 10 5 FCBEMO O=C1OCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000784222889 668647603 /nfs/dbraw/zinc/64/76/03/668647603.db2.gz RAPUZDDXHULGFS-OLZOCXBDSA-N 1 1 351.359 0.861 10 5 FCBEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cn3nccc3[N+](=O)[O-])CC2)C1 ZINC000117325763 671877437 /nfs/dbraw/zinc/87/74/37/671877437.db2.gz AQWNBGKHWHZJIZ-HNNXBMFYSA-N 1 1 352.439 0.476 10 5 FCBEMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000122618687 672436920 /nfs/dbraw/zinc/43/69/20/672436920.db2.gz MPYJBHOONUSFGN-UHFFFAOYSA-N 1 1 350.194 0.951 10 5 FCBEMO CN(CC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696829 1170089699 /nfs/dbraw/zinc/08/96/99/1170089699.db2.gz UACTZLAHZMJRDA-GDBMZVCRSA-N 1 1 360.414 0.809 10 5 FCBEMO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000451152347 1171735922 /nfs/dbraw/zinc/73/59/22/1171735922.db2.gz YETDUKWPOXIRFZ-RDJZCZTQSA-N 1 1 360.414 0.889 10 5 FCBEMO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000451152347 1171735931 /nfs/dbraw/zinc/73/59/31/1171735931.db2.gz YETDUKWPOXIRFZ-RDJZCZTQSA-N 1 1 360.414 0.889 10 5 FCBEMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N(C1CC1)C1CCCC1 ZINC001670780976 1186292724 /nfs/dbraw/zinc/29/27/24/1186292724.db2.gz BJMCKYFXKJPNFT-HUUCEWRRSA-N 1 1 364.446 0.824 10 5 FCBEMO C[NH+]1CCC(CC(=O)NCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CC1 ZINC001745513177 1186626808 /nfs/dbraw/zinc/62/68/08/1186626808.db2.gz ANSFUGZRDHRLHF-HUUCEWRRSA-N 1 1 352.435 0.491 10 5 FCBEMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)NCC(F)(F)F ZINC001481896225 1187545973 /nfs/dbraw/zinc/54/59/73/1187545973.db2.gz IEWSTVNDCNSBQA-NXEZZACHSA-N 1 1 366.340 0.349 10 5 FCBEMO CC1CCN(C(=O)C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)CC1 ZINC001269545638 1187856077 /nfs/dbraw/zinc/85/60/77/1187856077.db2.gz XLDFWJWTFBNDGH-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001170468530 1201457796 /nfs/dbraw/zinc/45/77/96/1201457796.db2.gz DPVMHDIWVUGJDI-PHIMTYICSA-N 1 1 362.342 0.136 10 5 FCBEMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC001196782799 1208106555 /nfs/dbraw/zinc/10/65/55/1208106555.db2.gz UZEJABXVEAYXTI-CQSZACIVSA-N 1 1 374.401 0.384 10 5 FCBEMO C[NH+](C)CCCCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001488827704 1208551567 /nfs/dbraw/zinc/55/15/67/1208551567.db2.gz MJTOVTZANHMETB-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589947 1209635358 /nfs/dbraw/zinc/63/53/58/1209635358.db2.gz IYPKJGQCXDKANZ-UHFFFAOYSA-N 1 1 359.386 0.735 10 5 FCBEMO CCn1cc(CC[NH+]2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001274910260 1211142883 /nfs/dbraw/zinc/14/28/83/1211142883.db2.gz GXZWHQQYLVSYEA-HUUCEWRRSA-N 1 1 365.434 0.054 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186848 1222639419 /nfs/dbraw/zinc/63/94/19/1222639419.db2.gz ATSOQUUGYSWYTJ-GFCCVEGCSA-N 1 1 366.374 0.961 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186848 1222639423 /nfs/dbraw/zinc/63/94/23/1222639423.db2.gz ATSOQUUGYSWYTJ-GFCCVEGCSA-N 1 1 366.374 0.961 10 5 FCBEMO CCc1onc(C)c1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281614118 1261124435 /nfs/dbraw/zinc/12/44/35/1261124435.db2.gz VBDZUKMDFGROCS-TZMCWYRMSA-N 1 1 366.418 0.654 10 5 FCBEMO O=C(NC1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001285964719 1261898034 /nfs/dbraw/zinc/89/80/34/1261898034.db2.gz AWIRVOCAILDUNH-HUUCEWRRSA-N 1 1 364.446 0.539 10 5 FCBEMO CCC(C)(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485756424 1263514505 /nfs/dbraw/zinc/51/45/05/1263514505.db2.gz DOSCGYLOWOEZAU-ZIAGYGMSSA-N 1 1 354.451 0.879 10 5 FCBEMO CCC(C)(C)NC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001485756424 1263514513 /nfs/dbraw/zinc/51/45/13/1263514513.db2.gz DOSCGYLOWOEZAU-ZIAGYGMSSA-N 1 1 354.451 0.879 10 5 FCBEMO CCC(C)(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001485756424 1263514526 /nfs/dbraw/zinc/51/45/26/1263514526.db2.gz DOSCGYLOWOEZAU-ZIAGYGMSSA-N 1 1 354.451 0.879 10 5 FCBEMO CCN(C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)C1CC1 ZINC001506861901 1264343776 /nfs/dbraw/zinc/34/37/76/1264343776.db2.gz GAPPNHSBHNDRFD-HUUCEWRRSA-N 1 1 364.446 0.587 10 5 FCBEMO O=C(NCCN1CCC([NH2+]Cc2cncc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001325793601 1264996078 /nfs/dbraw/zinc/99/60/78/1264996078.db2.gz DKHAGUBWHWKDMC-HZPDHXFCSA-N 1 1 365.409 0.556 10 5 FCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001526057327 1266780735 /nfs/dbraw/zinc/78/07/35/1266780735.db2.gz HXNWZZPFIRXDCN-CABCVRRESA-N 1 1 356.386 0.919 10 5 FCBEMO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)CC1 ZINC001536257366 1267321985 /nfs/dbraw/zinc/32/19/85/1267321985.db2.gz OLXJEOFMYWZDMM-HZPDHXFCSA-N 1 1 360.414 0.665 10 5 FCBEMO C[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CC[NH+](C)CC1 ZINC001556914856 1268904594 /nfs/dbraw/zinc/90/45/94/1268904594.db2.gz WQJUKJMAEWQCOO-AWEZNQCLSA-N 1 1 362.434 0.274 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001560060277 1269184565 /nfs/dbraw/zinc/18/45/65/1269184565.db2.gz JFFQNDNZQSVJFO-CALCHBBNSA-N 1 1 360.370 0.826 10 5 FCBEMO C[C@@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001566166383 1269618192 /nfs/dbraw/zinc/61/81/92/1269618192.db2.gz FKEODUSELJXVDC-KOLCDFICSA-N 1 1 356.404 0.455 10 5 FCBEMO CC1(C)CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[N@@H+]1CCO ZINC001567664306 1269701692 /nfs/dbraw/zinc/70/16/92/1269701692.db2.gz RALJWPPWJJPLIS-UHFFFAOYSA-N 1 1 374.401 0.704 10 5 FCBEMO CC1(C)CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[N@H+]1CCO ZINC001567664306 1269701697 /nfs/dbraw/zinc/70/16/97/1269701697.db2.gz RALJWPPWJJPLIS-UHFFFAOYSA-N 1 1 374.401 0.704 10 5 FCBEMO CC(C)CNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567746586 1269704713 /nfs/dbraw/zinc/70/47/13/1269704713.db2.gz IKAGUISWNQUMPD-HUUCEWRRSA-N 1 1 354.451 0.594 10 5 FCBEMO CC(C)CNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001567746586 1269704728 /nfs/dbraw/zinc/70/47/28/1269704728.db2.gz IKAGUISWNQUMPD-HUUCEWRRSA-N 1 1 354.451 0.594 10 5 FCBEMO CC(C)CNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001567746586 1269704732 /nfs/dbraw/zinc/70/47/32/1269704732.db2.gz IKAGUISWNQUMPD-HUUCEWRRSA-N 1 1 354.451 0.594 10 5 FCBEMO Cc1ccc(CNC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001569400750 1269781460 /nfs/dbraw/zinc/78/14/60/1269781460.db2.gz XBXJDWLFHUXZEW-CHWSQXEVSA-N 1 1 366.443 0.576 10 5 FCBEMO CCC1([NH2+]CCCS(C)(=O)=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001570255269 1269856873 /nfs/dbraw/zinc/85/68/73/1269856873.db2.gz XFPIVMAAWNCGIP-CHWSQXEVSA-N 1 1 361.464 0.447 10 5 FCBEMO C[N@@H+](CC(=O)NCc1ccco1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001571330334 1269927498 /nfs/dbraw/zinc/92/74/98/1269927498.db2.gz HMUBXZDDEKMPKS-HUUCEWRRSA-N 1 1 364.402 0.484 10 5 FCBEMO C[N@H+](CC(=O)NCc1ccco1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001571330334 1269927502 /nfs/dbraw/zinc/92/75/02/1269927502.db2.gz HMUBXZDDEKMPKS-HUUCEWRRSA-N 1 1 364.402 0.484 10 5 FCBEMO C[N@@H+](CC(=O)NCc1ccco1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001571330334 1269927510 /nfs/dbraw/zinc/92/75/10/1269927510.db2.gz HMUBXZDDEKMPKS-HUUCEWRRSA-N 1 1 364.402 0.484 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001572569357 1270096762 /nfs/dbraw/zinc/09/67/62/1270096762.db2.gz OJKBHMVNKYBPGT-HUUCEWRRSA-N 1 1 366.462 0.881 10 5 FCBEMO CCC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001572569357 1270096775 /nfs/dbraw/zinc/09/67/75/1270096775.db2.gz OJKBHMVNKYBPGT-HUUCEWRRSA-N 1 1 366.462 0.881 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001572569357 1270096787 /nfs/dbraw/zinc/09/67/87/1270096787.db2.gz OJKBHMVNKYBPGT-HUUCEWRRSA-N 1 1 366.462 0.881 10 5 FCBEMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)N1CCCCC1 ZINC001715095343 1287345061 /nfs/dbraw/zinc/34/50/61/1287345061.db2.gz QHGZBNNXBZDWEO-ZIAGYGMSSA-N 1 1 352.435 0.683 10 5 FCBEMO C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(=O)N1CCCC1 ZINC001715470452 1287351790 /nfs/dbraw/zinc/35/17/90/1287351790.db2.gz OUMRVCDEJAEVRY-HZPDHXFCSA-N 1 1 366.462 0.835 10 5 FCBEMO 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C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000447818541 490279505 /nfs/dbraw/zinc/27/95/05/490279505.db2.gz XFEXIZLNDGWCHT-OAHLLOKOSA-N 1 1 364.446 0.930 10 5 FCBEMO C[N@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498636438 490320572 /nfs/dbraw/zinc/32/05/72/490320572.db2.gz UWEFYAOHVBXRQQ-ZDUSSCGKSA-N 1 1 370.431 0.474 10 5 FCBEMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1CCO ZINC000450808602 490492217 /nfs/dbraw/zinc/49/22/17/490492217.db2.gz IHTOKCRODAJUGX-ZDUSSCGKSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1CCO ZINC000450808602 490492222 /nfs/dbraw/zinc/49/22/22/490492222.db2.gz IHTOKCRODAJUGX-ZDUSSCGKSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000539381382 490781007 /nfs/dbraw/zinc/78/10/07/490781007.db2.gz VREBISCNLUOEKE-GFCCVEGCSA-N 1 1 372.447 0.643 10 5 FCBEMO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]C[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000518377078 490938573 /nfs/dbraw/zinc/93/85/73/490938573.db2.gz RIJWCUVADROJHJ-LBPRGKRZSA-N 1 1 356.329 0.699 10 5 FCBEMO C[C@@]1(F)C[NH2+]CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000567590314 491516125 /nfs/dbraw/zinc/51/61/25/491516125.db2.gz YKUJBDXCBPEJHU-MRXNPFEDSA-N 1 1 367.381 0.554 10 5 FCBEMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000567672939 491522044 /nfs/dbraw/zinc/52/20/44/491522044.db2.gz VCLSGNWCJHYURY-GFCCVEGCSA-N 1 1 356.329 0.780 10 5 FCBEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000575134862 491541110 /nfs/dbraw/zinc/54/11/10/491541110.db2.gz KCSONDLXKIAHFV-ZDUSSCGKSA-N 1 1 362.434 0.814 10 5 FCBEMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000589929935 491767748 /nfs/dbraw/zinc/76/77/48/491767748.db2.gz ORPACKXUQZHJSM-PWSUYJOCSA-N 1 1 369.399 0.691 10 5 FCBEMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590565002 491779505 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C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000598501040 492101763 /nfs/dbraw/zinc/10/17/63/492101763.db2.gz BIBZQGKOXHEAGQ-CQSZACIVSA-N 1 1 358.402 0.864 10 5 FCBEMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000598501040 492101766 /nfs/dbraw/zinc/10/17/66/492101766.db2.gz BIBZQGKOXHEAGQ-CQSZACIVSA-N 1 1 358.402 0.864 10 5 FCBEMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598504771 492102200 /nfs/dbraw/zinc/10/22/00/492102200.db2.gz JFOMGRPVTCLGTB-HNNXBMFYSA-N 1 1 373.417 0.119 10 5 FCBEMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598504771 492102202 /nfs/dbraw/zinc/10/22/02/492102202.db2.gz JFOMGRPVTCLGTB-HNNXBMFYSA-N 1 1 373.417 0.119 10 5 FCBEMO COC(=O)c1ccnc(N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000598595228 492106763 /nfs/dbraw/zinc/10/67/63/492106763.db2.gz HEVGDEFAICSEMT-UHFFFAOYSA-N 1 1 351.407 0.850 10 5 FCBEMO 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ZINC000619873569 492280692 /nfs/dbraw/zinc/28/06/92/492280692.db2.gz OISDNGRPCHSIFL-AWEZNQCLSA-N 1 1 350.423 0.304 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416394174 546913610 /nfs/dbraw/zinc/91/36/10/546913610.db2.gz UISMYLBXNXXQEX-UHFFFAOYSA-N 1 1 357.388 0.754 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000416395811 546914164 /nfs/dbraw/zinc/91/41/64/546914164.db2.gz XQDWISLMEBGPPV-SNVBAGLBSA-N 1 1 357.388 0.754 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000416395811 546914166 /nfs/dbraw/zinc/91/41/66/546914166.db2.gz XQDWISLMEBGPPV-SNVBAGLBSA-N 1 1 357.388 0.754 10 5 FCBEMO COc1ncncc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592363269 546948566 /nfs/dbraw/zinc/94/85/66/546948566.db2.gz VLZSBUNRHPHUFO-UHFFFAOYSA-N 1 1 367.387 0.462 10 5 FCBEMO COc1ccc(NC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027919 546996173 /nfs/dbraw/zinc/99/61/73/546996173.db2.gz VMBZPZZQGQDCLL-NWDGAFQWSA-N 1 1 350.375 0.293 10 5 FCBEMO CC(C)(C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC000941007408 666572580 /nfs/dbraw/zinc/57/25/80/666572580.db2.gz KQZAWAIPWURERP-ZIAGYGMSSA-N 1 1 352.435 0.587 10 5 FCBEMO CCOC(=O)C[NH+]1CCC(COC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000740550760 668003031 /nfs/dbraw/zinc/00/30/31/668003031.db2.gz WCWJCKLZRURQGD-UHFFFAOYSA-N 1 1 354.363 0.610 10 5 FCBEMO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127582 669082022 /nfs/dbraw/zinc/08/20/22/669082022.db2.gz FIIGOOQTNGDKTK-GJZGRUSLSA-N 1 1 357.432 0.984 10 5 FCBEMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127582 669082026 /nfs/dbraw/zinc/08/20/26/669082026.db2.gz FIIGOOQTNGDKTK-GJZGRUSLSA-N 1 1 357.432 0.984 10 5 FCBEMO COC(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001136874621 1203294087 /nfs/dbraw/zinc/29/40/87/1203294087.db2.gz RPGKYTWWOYWVBB-ABAIWWIYSA-N 1 1 364.402 0.746 10 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COc1cc(OCC(=O)N2CCN(C3C[NH+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001520659908 1265959534 /nfs/dbraw/zinc/95/95/34/1265959534.db2.gz HZKBREQVBLLJNQ-UHFFFAOYSA-N 1 1 364.402 0.440 10 5 FCBEMO C[NH+](C)Cc1ccccc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298395936 1262924642 /nfs/dbraw/zinc/92/46/42/1262924642.db2.gz GWYODONMPKORMF-ILNYKDOHSA-N 1 1 360.414 0.816 10 5 FCBEMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)[C@@H]2C1 ZINC001299711643 1262977033 /nfs/dbraw/zinc/97/70/33/1262977033.db2.gz XWNFEHTYWMEBRS-XHDPSFHLSA-N 1 1 357.374 0.737 10 5 FCBEMO C[C@@H]1[C@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001479379573 1263188548 /nfs/dbraw/zinc/18/85/48/1263188548.db2.gz YKFAFQRWLXMCHL-JUDXGUMMSA-N 1 1 352.391 0.381 10 5 FCBEMO CN(CCC[N@@H+](C)Cc1ccc2c(c1)nnn2C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484741896 1263484689 /nfs/dbraw/zinc/48/46/89/1263484689.db2.gz INLGVSHFFDCJTG-CZUORRHYSA-N 1 1 360.418 0.914 10 5 FCBEMO CN(CCC[N@H+](C)Cc1ccc2c(c1)nnn2C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001484741896 1263484694 /nfs/dbraw/zinc/48/46/94/1263484694.db2.gz INLGVSHFFDCJTG-CZUORRHYSA-N 1 1 360.418 0.914 10 5 FCBEMO CN(CCC[N@@H+](C)Cc1ccc2c(c1)nnn2C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001484741896 1263484697 /nfs/dbraw/zinc/48/46/97/1263484697.db2.gz INLGVSHFFDCJTG-CZUORRHYSA-N 1 1 360.418 0.914 10 5 FCBEMO CN(CC[NH2+]Cc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493546422 1263724829 /nfs/dbraw/zinc/72/48/29/1263724829.db2.gz WJGMRURBJVIZPQ-ZIAGYGMSSA-N 1 1 355.416 0.303 10 5 FCBEMO CCCn1nnnc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001495413211 1263818719 /nfs/dbraw/zinc/81/87/19/1263818719.db2.gz LXLJZESLPQCSOY-ZIAGYGMSSA-N 1 1 365.438 0.467 10 5 FCBEMO CN(CC1CC1)C(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001495456160 1263820915 /nfs/dbraw/zinc/82/09/15/1263820915.db2.gz ZMSLCBGDYFDBIT-KBUPBQIOSA-N 1 1 352.435 0.537 10 5 FCBEMO CCN(CC[NH2+]Cc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497391842 1263927224 /nfs/dbraw/zinc/92/72/24/1263927224.db2.gz ZPHBLJSDHWKOHO-HUUCEWRRSA-N 1 1 369.443 0.693 10 5 FCBEMO O=C(NCC1([NH2+]Cc2cncc(F)c2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001500571273 1264074792 /nfs/dbraw/zinc/07/47/92/1264074792.db2.gz XVNFCTITFQBPRI-ZIAGYGMSSA-N 1 1 352.366 0.641 10 5 FCBEMO CCCNC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323720953 1264495301 /nfs/dbraw/zinc/49/53/01/1264495301.db2.gz XADQOHWUVKXQNH-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO CCCNC(=O)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323720953 1264495305 /nfs/dbraw/zinc/49/53/05/1264495305.db2.gz XADQOHWUVKXQNH-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO CCCNC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323720953 1264495313 /nfs/dbraw/zinc/49/53/13/1264495313.db2.gz XADQOHWUVKXQNH-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001511727339 1264579812 /nfs/dbraw/zinc/57/98/12/1264579812.db2.gz KOLARODDHIEPMX-ZIAGYGMSSA-N 1 1 354.451 0.689 10 5 FCBEMO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001523908606 1266667137 /nfs/dbraw/zinc/66/71/37/1266667137.db2.gz YIJSEQKTAPMOJZ-ZIAGYGMSSA-N 1 1 352.435 0.635 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001532043582 1267157475 /nfs/dbraw/zinc/15/74/75/1267157475.db2.gz HJHNCKPOEBJXPQ-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CCC[N@H+](C)CC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001532043582 1267157481 /nfs/dbraw/zinc/15/74/81/1267157481.db2.gz HJHNCKPOEBJXPQ-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001532043582 1267157483 /nfs/dbraw/zinc/15/74/83/1267157483.db2.gz HJHNCKPOEBJXPQ-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC001542961017 1267516882 /nfs/dbraw/zinc/51/68/82/1267516882.db2.gz SPNZJZAJLNJDPS-UHFFFAOYSA-N 1 1 350.379 0.048 10 5 FCBEMO C[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CC[NH+](C)CC1 ZINC001556914857 1268904029 /nfs/dbraw/zinc/90/40/29/1268904029.db2.gz WQJUKJMAEWQCOO-CQSZACIVSA-N 1 1 362.434 0.274 10 5 FCBEMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)C[C@@]2(C)C1 ZINC001557741302 1268972777 /nfs/dbraw/zinc/97/27/77/1268972777.db2.gz LAVFLVKAHSYRIW-CALCHBBNSA-N 1 1 371.401 0.984 10 5 FCBEMO COC(=O)[C@@H]([NH2+]CCCNC(=O)Cn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC001558984470 1269158124 /nfs/dbraw/zinc/15/81/24/1269158124.db2.gz ZVPQZUHIGDEMTE-AWEZNQCLSA-N 1 1 355.395 0.393 10 5 FCBEMO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c([N+](=O)[O-])n1 ZINC001560129219 1269190727 /nfs/dbraw/zinc/19/07/27/1269190727.db2.gz OKSBHNYQOWVZIM-VHDGCEQUSA-N 1 1 365.434 0.960 10 5 FCBEMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c([N+](=O)[O-])n1 ZINC001560129219 1269190732 /nfs/dbraw/zinc/19/07/32/1269190732.db2.gz OKSBHNYQOWVZIM-VHDGCEQUSA-N 1 1 365.434 0.960 10 5 FCBEMO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC001565609427 1269481893 /nfs/dbraw/zinc/48/18/93/1269481893.db2.gz ORKJRRKCMXFPSP-BBRMVZONSA-N 1 1 350.419 0.628 10 5 FCBEMO C[C@@H]1CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C[C@H](C)[N@H+]1CCO ZINC001569176950 1269768802 /nfs/dbraw/zinc/76/88/02/1269768802.db2.gz CFUHZPSRMSNVEK-BETUJISGSA-N 1 1 374.401 0.703 10 5 FCBEMO C[C@@H]1CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C[C@H](C)[N@@H+]1CCO ZINC001569176950 1269768810 /nfs/dbraw/zinc/76/88/10/1269768810.db2.gz CFUHZPSRMSNVEK-BETUJISGSA-N 1 1 374.401 0.703 10 5 FCBEMO COc1ccnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001570413879 1269880089 /nfs/dbraw/zinc/88/00/89/1269880089.db2.gz IBNAGWULDRCCIY-HUUCEWRRSA-N 1 1 364.402 0.199 10 5 FCBEMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001571905664 1269979008 /nfs/dbraw/zinc/97/90/08/1269979008.db2.gz QIRFGKSAMQTJRY-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001571905664 1269979016 /nfs/dbraw/zinc/97/90/16/1269979016.db2.gz QIRFGKSAMQTJRY-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001571905664 1269979021 /nfs/dbraw/zinc/97/90/21/1269979021.db2.gz QIRFGKSAMQTJRY-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001575821308 1272479819 /nfs/dbraw/zinc/47/98/19/1272479819.db2.gz CAYSGAJTRBXBSD-ZIAGYGMSSA-N 1 1 354.451 0.927 10 5 FCBEMO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001575821308 1272479820 /nfs/dbraw/zinc/47/98/20/1272479820.db2.gz CAYSGAJTRBXBSD-ZIAGYGMSSA-N 1 1 354.451 0.927 10 5 FCBEMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001575821308 1272479823 /nfs/dbraw/zinc/47/98/23/1272479823.db2.gz CAYSGAJTRBXBSD-ZIAGYGMSSA-N 1 1 354.451 0.927 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(F)c(F)c1 ZINC001713948104 1287307536 /nfs/dbraw/zinc/30/75/36/1287307536.db2.gz AODFVIUERIJVBF-ZHSDAYTOSA-N 1 1 368.340 0.805 10 5 FCBEMO COc1ccc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001715167763 1287346042 /nfs/dbraw/zinc/34/60/42/1287346042.db2.gz GVXZOELZLGSCLK-HUUCEWRRSA-N 1 1 363.418 0.869 10 5 FCBEMO CCCN(CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581414424 1279893668 /nfs/dbraw/zinc/89/36/68/1279893668.db2.gz ALRBSBFWISYERR-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)s1 ZINC001716904398 1287393027 /nfs/dbraw/zinc/39/30/27/1287393027.db2.gz KPNCHIKVYQWOBO-CHWSQXEVSA-N 1 1 354.432 0.872 10 5 FCBEMO O=C(NC1(C[NH2+]Cc2ccc(CO)cc2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717262483 1287415269 /nfs/dbraw/zinc/41/52/69/1287415269.db2.gz IJYYRGDCANFPHJ-HZPDHXFCSA-N 1 1 363.414 0.599 10 5 FCBEMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993636 1282128827 /nfs/dbraw/zinc/12/88/27/1282128827.db2.gz DRTHWWAFWQJOGJ-KGLIPLIRSA-N 1 1 372.385 0.769 10 5 FCBEMO CC[N@@H+](CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC001632776605 1282206662 /nfs/dbraw/zinc/20/66/62/1282206662.db2.gz WDTJLSALWHCEIG-UHFFFAOYSA-N 1 1 372.447 0.720 10 5 FCBEMO O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001634864106 1282361242 /nfs/dbraw/zinc/36/12/42/1282361242.db2.gz GVKNYYGNPMLBNT-KBPBESRZSA-N 1 1 372.385 0.457 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001639023291 1282739988 /nfs/dbraw/zinc/73/99/88/1282739988.db2.gz HODJGRDKYURACV-ZDUSSCGKSA-N 1 1 374.401 0.373 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001639023291 1282739993 /nfs/dbraw/zinc/73/99/93/1282739993.db2.gz HODJGRDKYURACV-ZDUSSCGKSA-N 1 1 374.401 0.373 10 5 FCBEMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001639095640 1282748040 /nfs/dbraw/zinc/74/80/40/1282748040.db2.gz DEIOLIXDHRKHKW-ZDUSSCGKSA-N 1 1 374.401 0.373 10 5 FCBEMO C[NH+]1CCC(C(=O)NCCC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001718996061 1287606911 /nfs/dbraw/zinc/60/69/11/1287606911.db2.gz BFEMJKHXYDLGCO-ZIAGYGMSSA-N 1 1 352.435 0.396 10 5 FCBEMO CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001721261189 1288323046 /nfs/dbraw/zinc/32/30/46/1288323046.db2.gz PPJLSBGCZPTRHW-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001726202636 1288499179 /nfs/dbraw/zinc/49/91/79/1288499179.db2.gz NQYAJIPFBWOLEO-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001726202636 1288499180 /nfs/dbraw/zinc/49/91/80/1288499180.db2.gz NQYAJIPFBWOLEO-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001726202636 1288499185 /nfs/dbraw/zinc/49/91/85/1288499185.db2.gz NQYAJIPFBWOLEO-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCn1cc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001732292394 1288580832 /nfs/dbraw/zinc/58/08/32/1288580832.db2.gz LWUHGNWZNAJGDH-HUUCEWRRSA-N 1 1 350.423 0.682 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001739167422 1289819179 /nfs/dbraw/zinc/81/91/79/1289819179.db2.gz WLILACYXJGZWPE-ZIAGYGMSSA-N 1 1 352.435 0.657 10 5 FCBEMO CC[N@H+](C)C(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001739167422 1289819194 /nfs/dbraw/zinc/81/91/94/1289819194.db2.gz WLILACYXJGZWPE-ZIAGYGMSSA-N 1 1 352.435 0.657 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001739167422 1289819208 /nfs/dbraw/zinc/81/92/08/1289819208.db2.gz WLILACYXJGZWPE-ZIAGYGMSSA-N 1 1 352.435 0.657 10 5 FCBEMO C[N@H+]1CC[C@H](CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001625575935 1290351594 /nfs/dbraw/zinc/35/15/94/1290351594.db2.gz HPVVWOQKZSSFTE-GFCCVEGCSA-N 1 1 370.431 0.331 10 5 FCBEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001627135204 1290439729 /nfs/dbraw/zinc/43/97/29/1290439729.db2.gz SDSJNFXBGYJPSN-SNVBAGLBSA-N 1 1 358.830 0.975 10 5 FCBEMO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001628390453 1290530547 /nfs/dbraw/zinc/53/05/47/1290530547.db2.gz RRYMWIJGSFCMMF-SWLSCSKDSA-N 1 1 364.402 0.537 10 5 FCBEMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C[N@H+]1C1CC1 ZINC001630423184 1290668791 /nfs/dbraw/zinc/66/87/91/1290668791.db2.gz LFFHDPVWGXJQLB-QWRGUYRKSA-N 1 1 357.374 0.926 10 5 FCBEMO C[N@H+]1CC[C@H](CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001631566741 1290739413 /nfs/dbraw/zinc/73/94/13/1290739413.db2.gz ZPCKWYCYOPISFG-GFCCVEGCSA-N 1 1 370.431 0.331 10 5 FCBEMO O=C(CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC001648122729 1291104470 /nfs/dbraw/zinc/10/44/70/1291104470.db2.gz AEWWEAJVGFDXFQ-GDBMZVCRSA-N 1 1 362.386 0.903 10 5 FCBEMO O=C(CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC001648122729 1291104472 /nfs/dbraw/zinc/10/44/72/1291104472.db2.gz AEWWEAJVGFDXFQ-GDBMZVCRSA-N 1 1 362.386 0.903 10 5 FCBEMO Cn1nnnc1C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001648231475 1291113483 /nfs/dbraw/zinc/11/34/83/1291113483.db2.gz ZZJLZDVVZGUTRR-UHFFFAOYSA-N 1 1 371.401 0.887 10 5 FCBEMO COC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001651494834 1291225169 /nfs/dbraw/zinc/22/51/69/1291225169.db2.gz CBIAZFPSLSRSNV-OLZOCXBDSA-N 1 1 350.375 0.812 10 5 FCBEMO 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CN(CCC[N@@H+](C)CC(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484741975 1263485647 /nfs/dbraw/zinc/48/56/47/1263485647.db2.gz LENSELLPXYQVKY-HUUCEWRRSA-N 1 1 354.451 0.881 10 5 FCBEMO Cn1nncc1C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001317366197 1263509441 /nfs/dbraw/zinc/50/94/41/1263509441.db2.gz KLRHHAUXVLVCSJ-HZPDHXFCSA-N 1 1 358.402 0.429 10 5 FCBEMO Cc1nc(C)n(CC[NH+]2CCC(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001319019296 1263640968 /nfs/dbraw/zinc/64/09/68/1263640968.db2.gz RNMIRMSQELNFJG-HZPDHXFCSA-N 1 1 364.450 0.778 10 5 FCBEMO NC(=O)c1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)cc1 ZINC001495915893 1263844840 /nfs/dbraw/zinc/84/48/40/1263844840.db2.gz ASKNUICNZACPRO-HUUCEWRRSA-N 1 1 360.414 0.969 10 5 FCBEMO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001506883116 1264345606 /nfs/dbraw/zinc/34/56/06/1264345606.db2.gz DOWNDCPFNZXSRC-JUDXGUMMSA-N 1 1 364.377 0.914 10 5 FCBEMO C[NH+](C)CCCCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001509786343 1264467785 /nfs/dbraw/zinc/46/77/85/1264467785.db2.gz YGFOXMOQCWHUSA-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC001556106434 1268814554 /nfs/dbraw/zinc/81/45/54/1268814554.db2.gz MSKGWTXMHSNNBT-MRXNPFEDSA-N 1 1 360.374 0.031 10 5 FCBEMO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c([N+](=O)[O-])n1 ZINC001560129218 1269190742 /nfs/dbraw/zinc/19/07/42/1269190742.db2.gz OKSBHNYQOWVZIM-SNPRPXQTSA-N 1 1 365.434 0.960 10 5 FCBEMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c([N+](=O)[O-])n1 ZINC001560129218 1269190745 /nfs/dbraw/zinc/19/07/45/1269190745.db2.gz OKSBHNYQOWVZIM-SNPRPXQTSA-N 1 1 365.434 0.960 10 5 FCBEMO C[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001566166384 1269619136 /nfs/dbraw/zinc/61/91/36/1269619136.db2.gz FKEODUSELJXVDC-MWLCHTKSSA-N 1 1 356.404 0.455 10 5 FCBEMO 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CCC[N@@H+](C)CCC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001572039242 1269989312 /nfs/dbraw/zinc/98/93/12/1269989312.db2.gz QYMGZDPHBQQSKB-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001572042590 1269989424 /nfs/dbraw/zinc/98/94/24/1269989424.db2.gz KYXAQZQFDOYBLH-DTDBQYNISA-N 1 1 366.462 0.690 10 5 FCBEMO CCC[N@H+](C)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001572042590 1269989430 /nfs/dbraw/zinc/98/94/30/1269989430.db2.gz KYXAQZQFDOYBLH-DTDBQYNISA-N 1 1 366.462 0.690 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001572042590 1269989434 /nfs/dbraw/zinc/98/94/34/1269989434.db2.gz KYXAQZQFDOYBLH-DTDBQYNISA-N 1 1 366.462 0.690 10 5 FCBEMO C[NH+](C)C1(C(=O)NCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001572714488 1270110799 /nfs/dbraw/zinc/11/07/99/1270110799.db2.gz CFJXUVBOPSPAOI-CHWSQXEVSA-N 1 1 352.435 0.539 10 5 FCBEMO 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/nfs/dbraw/zinc/27/51/14/1282275114.db2.gz PQTMXJPNEPTWLN-ZIAGYGMSSA-N 1 1 354.451 0.738 10 5 FCBEMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CC([NH2+]C2COC2)C1 ZINC001636333571 1282487782 /nfs/dbraw/zinc/48/77/82/1282487782.db2.gz LMTGUZSZNVKMIR-UHFFFAOYSA-N 1 1 361.333 0.732 10 5 FCBEMO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC([NH2+]C3COC3)C2)c1 ZINC001636336538 1282489476 /nfs/dbraw/zinc/48/94/76/1282489476.db2.gz DYJGCDVQQVZJPC-UHFFFAOYSA-N 1 1 371.397 0.961 10 5 FCBEMO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCN1C ZINC001639068231 1282744140 /nfs/dbraw/zinc/74/41/40/1282744140.db2.gz HQNRTPCEPKWWIF-XJKSGUPXSA-N 1 1 364.450 0.940 10 5 FCBEMO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001639068231 1282744148 /nfs/dbraw/zinc/74/41/48/1282744148.db2.gz HQNRTPCEPKWWIF-XJKSGUPXSA-N 1 1 364.450 0.940 10 5 FCBEMO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001639068231 1282744155 /nfs/dbraw/zinc/74/41/55/1282744155.db2.gz HQNRTPCEPKWWIF-XJKSGUPXSA-N 1 1 364.450 0.940 10 5 FCBEMO C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CC1 ZINC001718934658 1287594624 /nfs/dbraw/zinc/59/46/24/1287594624.db2.gz RZRLSTYVVWZWJV-CHWSQXEVSA-N 1 1 350.419 0.054 10 5 FCBEMO CN(CCC[N@@H+](C)CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724853021 1288451842 /nfs/dbraw/zinc/45/18/42/1288451842.db2.gz WMDLAVUXCBPCAW-CHWSQXEVSA-N 1 1 367.454 0.416 10 5 FCBEMO CN(CCC[N@H+](C)CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001724853021 1288451845 /nfs/dbraw/zinc/45/18/45/1288451845.db2.gz WMDLAVUXCBPCAW-CHWSQXEVSA-N 1 1 367.454 0.416 10 5 FCBEMO CN(CCC[N@@H+](C)CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001724853021 1288451848 /nfs/dbraw/zinc/45/18/48/1288451848.db2.gz WMDLAVUXCBPCAW-CHWSQXEVSA-N 1 1 367.454 0.416 10 5 FCBEMO Cc1nc(C)n(CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001734017433 1288638174 /nfs/dbraw/zinc/63/81/74/1288638174.db2.gz LVNPVJZEULPVTO-ZIAGYGMSSA-N 1 1 352.439 0.634 10 5 FCBEMO CCN(CCCNC(=O)C[NH+]1CCC(C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737283553 1289525440 /nfs/dbraw/zinc/52/54/40/1289525440.db2.gz SPXWJXKDTRKBFJ-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO O=[N+]([O-])c1cc(CO)c(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1F ZINC001613072276 1289710681 /nfs/dbraw/zinc/71/06/81/1289710681.db2.gz BMRQIRBNVYTNFG-BLLLJJGKSA-N 1 1 355.366 0.864 10 5 FCBEMO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001617000542 1289811158 /nfs/dbraw/zinc/81/11/58/1289811158.db2.gz IBSKIYCGTBMMFU-GFCCVEGCSA-N 1 1 368.415 0.456 10 5 FCBEMO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564205 1290000520 /nfs/dbraw/zinc/00/05/20/1290000520.db2.gz CXZQUNUUHREBIL-YCPHGPKFSA-N 1 1 365.434 0.923 10 5 FCBEMO CC(C)Oc1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001643701634 1290910775 /nfs/dbraw/zinc/91/07/75/1290910775.db2.gz SKLIVNQTXGZXTP-MRXNPFEDSA-N 1 1 353.375 0.463 10 5 FCBEMO O=C(CC[N@@H+]1C[C@H](CCO)[C@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648635945 1291133791 /nfs/dbraw/zinc/13/37/91/1291133791.db2.gz WNAYULXMKKSBKL-RYUDHWBXSA-N 1 1 355.366 0.985 10 5 FCBEMO COCC[N@@H+](C)CCN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C)CC1=O ZINC001651161188 1291199842 /nfs/dbraw/zinc/19/98/42/1291199842.db2.gz UCEOUJWKYUQKGN-ZDUSSCGKSA-N 1 1 351.407 0.889 10 5 FCBEMO COC(=O)c1cnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001651494833 1291224870 /nfs/dbraw/zinc/22/48/70/1291224870.db2.gz CBIAZFPSLSRSNV-CHWSQXEVSA-N 1 1 350.375 0.812 10 5 FCBEMO COCC[N@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654057286 1291391656 /nfs/dbraw/zinc/39/16/56/1291391656.db2.gz VRUIYYDOMIMQDN-WDEREUQCSA-N 1 1 356.301 0.024 10 5 FCBEMO COC(=O)[C@@H](NC(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)C ZINC001654503831 1291416174 /nfs/dbraw/zinc/41/61/74/1291416174.db2.gz RZRYYIKHRYALQD-DOTOQJQBSA-N 1 1 367.402 0.706 10 5 FCBEMO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCCCC1 ZINC001668819965 1291975633 /nfs/dbraw/zinc/97/56/33/1291975633.db2.gz ADCCAYYWTSKFOY-JBZXTQMFSA-N 1 1 352.435 0.753 10 5 FCBEMO CCCCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001671049677 1292030674 /nfs/dbraw/zinc/03/06/74/1292030674.db2.gz AYPDEZGXOXHKPO-HUUCEWRRSA-N 1 1 366.462 0.882 10 5 FCBEMO C[N@@H+]1CC[C@@H]1CNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC001134144642 849176554 /nfs/dbraw/zinc/17/65/54/849176554.db2.gz VZEXCLIXXHKFON-MRVPVSSYSA-N 1 1 352.303 0.708 10 5 FCBEMO C[N@H+]1CC[C@@H]1CNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC001134144642 849176559 /nfs/dbraw/zinc/17/65/59/849176559.db2.gz VZEXCLIXXHKFON-MRVPVSSYSA-N 1 1 352.303 0.708 10 5 FCBEMO C[N@@H+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC001168537624 850588370 /nfs/dbraw/zinc/58/83/70/850588370.db2.gz JFRZLRBRXFGUJG-SNVBAGLBSA-N 1 1 370.793 0.113 10 5 FCBEMO C[N@H+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC001168537624 850588381 /nfs/dbraw/zinc/58/83/81/850588381.db2.gz JFRZLRBRXFGUJG-SNVBAGLBSA-N 1 1 370.793 0.113 10 5 FCBEMO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001174615316 850741934 /nfs/dbraw/zinc/74/19/34/850741934.db2.gz SSDZMVZGIDDWHX-ZDUSSCGKSA-N 1 1 357.411 0.999 10 5 FCBEMO COc1ccc(NC(=O)CCN2CC[N@@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001174715208 850743868 /nfs/dbraw/zinc/74/38/68/850743868.db2.gz HWUOGPXFJSOQQX-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1ccc(NC(=O)CC[N@@H+]2CCN(C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001174715208 850743872 /nfs/dbraw/zinc/74/38/72/850743872.db2.gz HWUOGPXFJSOQQX-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2CCN(C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001174715208 850743877 /nfs/dbraw/zinc/74/38/77/850743877.db2.gz HWUOGPXFJSOQQX-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO CON(C)C(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195486756 852770839 /nfs/dbraw/zinc/77/08/39/852770839.db2.gz CCIGQUYTXVAEND-UHFFFAOYSA-N 1 1 374.419 0.215 10 5 FCBEMO O=C(NCCN1CCC([NH2+]Cc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001279431163 862883133 /nfs/dbraw/zinc/88/31/33/862883133.db2.gz FAWGQEFIDXKXLZ-ZIAGYGMSSA-N 1 1 353.448 0.479 10 5 FCBEMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)Nc1nncs1 ZINC001268036105 859522874 /nfs/dbraw/zinc/52/28/74/859522874.db2.gz LXGYLFZSWRADIV-NXEZZACHSA-N 1 1 368.419 0.160 10 5 FCBEMO CC1([NH2+]CC(=O)N2CCCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281489391 863523865 /nfs/dbraw/zinc/52/38/65/863523865.db2.gz GXHXGDVPQULWCW-ZIAGYGMSSA-N 1 1 352.435 0.635 10 5 FCBEMO CC(C)N(CCN(C)CC(=O)NCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284532928 864573313 /nfs/dbraw/zinc/57/33/13/864573313.db2.gz AMJJGXMSJGQOIT-ZIAGYGMSSA-N 1 1 356.467 0.983 10 5 FCBEMO CC[NH+](CC)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001286353080 864689199 /nfs/dbraw/zinc/68/91/99/864689199.db2.gz VGWMGXYOXJTOLT-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CC1(C)CC[N@@H+](CC(=O)N(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)C1 ZINC001296575275 865977891 /nfs/dbraw/zinc/97/78/91/865977891.db2.gz WJKNXRYEMYWPPR-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO CC1(C)CC[N@H+](CC(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)C1 ZINC001296575275 865977904 /nfs/dbraw/zinc/97/79/04/865977904.db2.gz WJKNXRYEMYWPPR-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO CC1(C)CC[N@@H+](CC(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)C1 ZINC001296575275 865977916 /nfs/dbraw/zinc/97/79/16/865977916.db2.gz WJKNXRYEMYWPPR-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO C[N@@H+](CCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001317872591 867568720 /nfs/dbraw/zinc/56/87/20/867568720.db2.gz SHXVNOVCNWZBKT-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO C[N@H+](CCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001317872591 867568738 /nfs/dbraw/zinc/56/87/38/867568738.db2.gz SHXVNOVCNWZBKT-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO C[N@@H+](CCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001317872591 867568751 /nfs/dbraw/zinc/56/87/51/867568751.db2.gz SHXVNOVCNWZBKT-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC001319768257 867995569 /nfs/dbraw/zinc/99/55/69/867995569.db2.gz VGTZVWGUKWGLNN-UHFFFAOYSA-N 1 1 350.423 0.617 10 5 FCBEMO CCC1([NH2+]CC(=O)N2CCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001327450264 870879226 /nfs/dbraw/zinc/87/92/26/870879226.db2.gz YSPMCDOLPYCHKW-ZIAGYGMSSA-N 1 1 352.435 0.635 10 5 FCBEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)[C@H]2C1 ZINC000293888945 214208790 /nfs/dbraw/zinc/20/87/90/214208790.db2.gz LNIDZFAVTLUVQG-UONOGXRCSA-N 1 1 351.407 0.811 10 5 FCBEMO C[N@H+]1CC[C@H]2OCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000284918757 213249081 /nfs/dbraw/zinc/24/90/81/213249081.db2.gz SZYPTHQWMOWAQI-DLBZAZTESA-N 1 1 360.414 0.889 10 5 FCBEMO 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BXHHZZCLPNAEJO-OLZOCXBDSA-N 1 1 374.401 0.703 10 5 FCBEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1C ZINC000246607190 488474020 /nfs/dbraw/zinc/47/40/20/488474020.db2.gz BXHHZZCLPNAEJO-OLZOCXBDSA-N 1 1 374.401 0.703 10 5 FCBEMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000246856010 488476997 /nfs/dbraw/zinc/47/69/97/488476997.db2.gz FHXZEYIVTWCGEK-HZPDHXFCSA-N 1 1 351.403 0.741 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000248442154 488496013 /nfs/dbraw/zinc/49/60/13/488496013.db2.gz DXPOITMGIXOWJT-HUUCEWRRSA-N 1 1 351.403 0.741 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272887240 488614365 /nfs/dbraw/zinc/61/43/65/488614365.db2.gz IMZFJXQHIYFMLV-NSHDSACASA-N 1 1 358.420 0.135 10 5 FCBEMO CCOC(=O)C1(O)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266927499 488744885 /nfs/dbraw/zinc/74/48/85/488744885.db2.gz NOEUWCXYXYJJQT-CQSZACIVSA-N 1 1 368.386 0.725 10 5 FCBEMO 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ZINC000299523997 489451521 /nfs/dbraw/zinc/45/15/21/489451521.db2.gz PFMQAFDKQAARFN-ZDUSSCGKSA-N 1 1 356.404 0.084 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c(F)c1 ZINC000451671685 489516918 /nfs/dbraw/zinc/51/69/18/489516918.db2.gz QTAYTFGXBHSDJZ-GFCCVEGCSA-N 1 1 361.395 0.859 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000451671685 489516921 /nfs/dbraw/zinc/51/69/21/489516921.db2.gz QTAYTFGXBHSDJZ-GFCCVEGCSA-N 1 1 361.395 0.859 10 5 FCBEMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000451674382 489517417 /nfs/dbraw/zinc/51/74/17/489517417.db2.gz YJIAMSBBZWFWNO-CQSZACIVSA-N 1 1 357.432 0.861 10 5 FCBEMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290086 489566836 /nfs/dbraw/zinc/56/68/36/489566836.db2.gz VBGNPVJWDZLVIZ-FPMFFAJLSA-N 1 1 356.379 0.195 10 5 FCBEMO CCOc1ccc(NC(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426482763 489570051 /nfs/dbraw/zinc/57/00/51/489570051.db2.gz ACTGCWWPLGOFST-ZDUSSCGKSA-N 1 1 366.418 0.930 10 5 FCBEMO CCOc1ccc(NC(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426482763 489570052 /nfs/dbraw/zinc/57/00/52/489570052.db2.gz ACTGCWWPLGOFST-ZDUSSCGKSA-N 1 1 366.418 0.930 10 5 FCBEMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000427270844 489600366 /nfs/dbraw/zinc/60/03/66/489600366.db2.gz YQTKEIMXOGCECZ-UHFFFAOYSA-N 1 1 366.422 0.532 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000457129337 489637385 /nfs/dbraw/zinc/63/73/85/489637385.db2.gz QNJFHUFVCBDDFI-CYBMUJFWSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000457129337 489637388 /nfs/dbraw/zinc/63/73/88/489637388.db2.gz QNJFHUFVCBDDFI-CYBMUJFWSA-N 1 1 359.386 0.919 10 5 FCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429353627 489683347 /nfs/dbraw/zinc/68/33/47/489683347.db2.gz ZHLCVSHEFCNPPA-HNNXBMFYSA-N 1 1 374.401 0.594 10 5 FCBEMO COc1cc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000489193514 489699803 /nfs/dbraw/zinc/69/98/03/489699803.db2.gz BLRDLXPWOYQDCL-GFCCVEGCSA-N 1 1 358.420 0.609 10 5 FCBEMO COc1cc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000489193514 489699804 /nfs/dbraw/zinc/69/98/04/489699804.db2.gz BLRDLXPWOYQDCL-GFCCVEGCSA-N 1 1 358.420 0.609 10 5 FCBEMO C[N@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000520353127 490135784 /nfs/dbraw/zinc/13/57/84/490135784.db2.gz BBAMDENFVYMMNM-ZDUSSCGKSA-N 1 1 370.431 0.474 10 5 FCBEMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000510659848 490532544 /nfs/dbraw/zinc/53/25/44/490532544.db2.gz QVGJZLBXKUEJRU-GFCCVEGCSA-N 1 1 370.431 0.985 10 5 FCBEMO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000524892135 490567340 /nfs/dbraw/zinc/56/73/40/490567340.db2.gz GANHMWRIGQKGCU-JSGCOSHPSA-N 1 1 358.416 0.701 10 5 FCBEMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000524892135 490567346 /nfs/dbraw/zinc/56/73/46/490567346.db2.gz GANHMWRIGQKGCU-JSGCOSHPSA-N 1 1 358.416 0.701 10 5 FCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000536432556 490578108 /nfs/dbraw/zinc/57/81/08/490578108.db2.gz FTHIJHSIMUWAKY-LSDHHAIUSA-N 1 1 374.401 0.186 10 5 FCBEMO CN1CCN(C[C@H](O)C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000516175469 490854501 /nfs/dbraw/zinc/85/45/01/490854501.db2.gz AUVYQRKWCOJRIL-MRXNPFEDSA-N 1 1 361.446 0.817 10 5 FCBEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000518744481 490949981 /nfs/dbraw/zinc/94/99/81/490949981.db2.gz VEJKJBIKAYGYDJ-UHFFFAOYSA-N 1 1 363.418 0.939 10 5 FCBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)c1 ZINC000566620111 491456688 /nfs/dbraw/zinc/45/66/88/491456688.db2.gz MXFJPRADIZBCGM-HOTGVXAUSA-N 1 1 353.419 0.771 10 5 FCBEMO C[C@]1(F)C[NH2+]CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000567590313 491515855 /nfs/dbraw/zinc/51/58/55/491515855.db2.gz YKUJBDXCBPEJHU-INIZCTEOSA-N 1 1 367.381 0.554 10 5 FCBEMO O=C(C[NH2+]C(CO)CO)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000578080139 491669384 /nfs/dbraw/zinc/66/93/84/491669384.db2.gz NUYIJIGGTFMXDP-UHFFFAOYSA-N 1 1 352.372 0.600 10 5 FCBEMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000589929937 491767664 /nfs/dbraw/zinc/76/76/64/491767664.db2.gz ORPACKXUQZHJSM-ZYHUDNBSSA-N 1 1 369.399 0.691 10 5 FCBEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590355434 491774175 /nfs/dbraw/zinc/77/41/75/491774175.db2.gz XSALTRXLKAAUSX-GFCCVEGCSA-N 1 1 362.386 0.486 10 5 FCBEMO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392373 491775167 /nfs/dbraw/zinc/77/51/67/491775167.db2.gz RRFDHMGOLVYDJM-UHFFFAOYSA-N 1 1 372.385 0.580 10 5 FCBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000590445007 491777040 /nfs/dbraw/zinc/77/70/40/491777040.db2.gz PJUVNJYQMAZZQY-FZMZJTMJSA-N 1 1 360.370 0.483 10 5 FCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000582979769 491835039 /nfs/dbraw/zinc/83/50/39/491835039.db2.gz DPHAZIFKAXVIFW-GJZGRUSLSA-N 1 1 374.401 0.186 10 5 FCBEMO C[N@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600691013 491876436 /nfs/dbraw/zinc/87/64/36/491876436.db2.gz HWIZYTLJURJYSB-NSHDSACASA-N 1 1 356.404 0.084 10 5 FCBEMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595385234 491926892 /nfs/dbraw/zinc/92/68/92/491926892.db2.gz WXEQYRPPQDLNTB-LBPRGKRZSA-N 1 1 373.406 0.954 10 5 FCBEMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537192 491989162 /nfs/dbraw/zinc/98/91/62/491989162.db2.gz CGPQZPFJGIAQRD-CYBMUJFWSA-N 1 1 370.431 0.278 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000596539969 491989489 /nfs/dbraw/zinc/98/94/89/491989489.db2.gz SAPRAIAHHDKEBU-GFCCVEGCSA-N 1 1 350.375 0.812 10 5 FCBEMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596552163 491990525 /nfs/dbraw/zinc/99/05/25/491990525.db2.gz RWMHFGCIBAZIQL-AWEZNQCLSA-N 1 1 357.418 0.617 10 5 FCBEMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596552163 491990526 /nfs/dbraw/zinc/99/05/26/491990526.db2.gz RWMHFGCIBAZIQL-AWEZNQCLSA-N 1 1 357.418 0.617 10 5 FCBEMO COc1cc(OCC(=O)N2CC(C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000597681464 492059314 /nfs/dbraw/zinc/05/93/14/492059314.db2.gz CHSSZYJRPXLTFR-UHFFFAOYSA-N 1 1 365.386 0.773 10 5 FCBEMO Nc1c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000598453100 492099141 /nfs/dbraw/zinc/09/91/41/492099141.db2.gz OOLYNLVQHUQQMF-GFCCVEGCSA-N 1 1 352.366 0.987 10 5 FCBEMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598452496 492099262 /nfs/dbraw/zinc/09/92/62/492099262.db2.gz KIABKNQVYQDLRT-CYBMUJFWSA-N 1 1 363.370 0.995 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902416 492121536 /nfs/dbraw/zinc/12/15/36/492121536.db2.gz GCXUASSQRGKCQA-LBPRGKRZSA-N 1 1 365.390 0.241 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902416 492121537 /nfs/dbraw/zinc/12/15/37/492121537.db2.gz GCXUASSQRGKCQA-LBPRGKRZSA-N 1 1 365.390 0.241 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000599099683 492135405 /nfs/dbraw/zinc/13/54/05/492135405.db2.gz JGIDTQWEFLLWDV-LBPRGKRZSA-N 1 1 351.388 0.664 10 5 FCBEMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC000599286357 492154857 /nfs/dbraw/zinc/15/48/57/492154857.db2.gz IDRXYXUMGYUQRU-NSHDSACASA-N 1 1 361.424 0.108 10 5 FCBEMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592185872 546945554 /nfs/dbraw/zinc/94/55/54/546945554.db2.gz RPLQECNZBDVQKJ-CYBMUJFWSA-N 1 1 362.308 0.757 10 5 FCBEMO CC(C)c1[nH]nc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872876 546960051 /nfs/dbraw/zinc/96/00/51/546960051.db2.gz MMVAMPAOFOXAFM-JTQLQIEISA-N 1 1 352.395 0.633 10 5 FCBEMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478368 546999924 /nfs/dbraw/zinc/99/99/24/546999924.db2.gz RDHAQIXNPAFXGL-UONOGXRCSA-N 1 1 355.416 0.597 10 5 FCBEMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478368 546999927 /nfs/dbraw/zinc/99/99/27/546999927.db2.gz RDHAQIXNPAFXGL-UONOGXRCSA-N 1 1 355.416 0.597 10 5 FCBEMO COCC[NH+](CCOC)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000898257954 665809764 /nfs/dbraw/zinc/80/97/64/665809764.db2.gz CZTFMULPCQSLIA-UHFFFAOYSA-N 1 1 352.391 0.717 10 5 FCBEMO C[NH+]1CCN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC000822115093 669246150 /nfs/dbraw/zinc/24/61/50/669246150.db2.gz UFYOVYMVCBUJGY-UHFFFAOYSA-N 1 1 354.313 0.807 10 5 FCBEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000808023972 669532264 /nfs/dbraw/zinc/53/22/64/669532264.db2.gz GDKAUNAATDADRV-LLVKDONJSA-N 1 1 362.415 0.719 10 5 FCBEMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000831804297 669868541 /nfs/dbraw/zinc/86/85/41/669868541.db2.gz DMYCHSAZGQGZNK-NSHDSACASA-N 1 1 361.395 0.859 10 5 FCBEMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000831804297 669868544 /nfs/dbraw/zinc/86/85/44/669868544.db2.gz DMYCHSAZGQGZNK-NSHDSACASA-N 1 1 361.395 0.859 10 5 FCBEMO Cc1c[nH+]cn1CC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000861404577 671959298 /nfs/dbraw/zinc/95/92/98/671959298.db2.gz AZXMSCWLHHQXSM-UHFFFAOYSA-N 1 1 368.371 0.310 10 5 FCBEMO CN(CC[NH2+]CC(=O)NC(=O)Nc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696792 1170090245 /nfs/dbraw/zinc/09/02/45/1170090245.db2.gz RYACBAAJRCOETB-CHWSQXEVSA-N 1 1 363.374 0.048 10 5 FCBEMO CC1CCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)CC1 ZINC001270743220 1188293989 /nfs/dbraw/zinc/29/39/89/1188293989.db2.gz KEBVEMNFNPCAIO-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO CC(C)[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001648974115 1190883462 /nfs/dbraw/zinc/88/34/62/1190883462.db2.gz RQQMLNLLPUIAGK-CYBMUJFWSA-N 1 1 370.431 0.654 10 5 FCBEMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000906215035 1195616810 /nfs/dbraw/zinc/61/68/10/1195616810.db2.gz WFZZKVCHYFPGGP-UHFFFAOYSA-N 1 1 361.446 0.737 10 5 FCBEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590541636 1196507395 /nfs/dbraw/zinc/50/73/95/1196507395.db2.gz HDWCIRCWIKPFEP-CQSZACIVSA-N 1 1 371.401 0.295 10 5 FCBEMO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392619 1196718892 /nfs/dbraw/zinc/71/88/92/1196718892.db2.gz JAMMXRFFCXTDJW-QWHCGFSZSA-N 1 1 358.358 0.067 10 5 FCBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594315707 1196884601 /nfs/dbraw/zinc/88/46/01/1196884601.db2.gz KRFURONEDFVBRU-QWHCGFSZSA-N 1 1 362.386 0.428 10 5 FCBEMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001191723111 1207806648 /nfs/dbraw/zinc/80/66/48/1207806648.db2.gz MMCVYOXKHQGAGQ-UHFFFAOYSA-N 1 1 359.390 0.416 10 5 FCBEMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000854354660 1209623380 /nfs/dbraw/zinc/62/33/80/1209623380.db2.gz SQYPDGQMWHYTPV-CYBMUJFWSA-N 1 1 363.374 0.931 10 5 FCBEMO O=C(C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000860161037 1209841442 /nfs/dbraw/zinc/84/14/42/1209841442.db2.gz PMBCAQHQURKYEV-CZUORRHYSA-N 1 1 374.397 0.348 10 5 FCBEMO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000779128609 1212001220 /nfs/dbraw/zinc/00/12/20/1212001220.db2.gz YRTGTZHYZUUSIG-GFCCVEGCSA-N 1 1 366.374 0.961 10 5 FCBEMO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000779128609 1212001222 /nfs/dbraw/zinc/00/12/22/1212001222.db2.gz YRTGTZHYZUUSIG-GFCCVEGCSA-N 1 1 366.374 0.961 10 5 FCBEMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000840060384 1222768227 /nfs/dbraw/zinc/76/82/27/1222768227.db2.gz RGPWLOSLQUHWEO-IRXDYDNUSA-N 1 1 360.370 0.702 10 5 FCBEMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000840060384 1222768232 /nfs/dbraw/zinc/76/82/32/1222768232.db2.gz RGPWLOSLQUHWEO-IRXDYDNUSA-N 1 1 360.370 0.702 10 5 FCBEMO C[NH+]1CCC(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001335669558 1259776001 /nfs/dbraw/zinc/77/60/01/1259776001.db2.gz YMSLEUSLMKGNPQ-KBUPBQIOSA-N 1 1 352.435 0.395 10 5 FCBEMO C[C@H]1[C@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001479379571 1263188924 /nfs/dbraw/zinc/18/89/24/1263188924.db2.gz YKFAFQRWLXMCHL-CJYSPXJISA-N 1 1 352.391 0.381 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCCc1ccsc1 ZINC001480138255 1263424882 /nfs/dbraw/zinc/42/48/82/1263424882.db2.gz BDAPJXQSFUGWIW-AAVRWANBSA-N 1 1 366.443 0.309 10 5 FCBEMO CCC1([NH2+]CCN2C(=O)CCC2=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484812203 1263486901 /nfs/dbraw/zinc/48/69/01/1263486901.db2.gz OTTRLKYASGGSRF-CHWSQXEVSA-N 1 1 366.418 0.161 10 5 FCBEMO CC(C)[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001497952277 1263959646 /nfs/dbraw/zinc/95/96/46/1263959646.db2.gz ZGAKUKGXOOBBNT-HUUCEWRRSA-N 1 1 354.451 0.689 10 5 FCBEMO CC(C)[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001497952277 1263959654 /nfs/dbraw/zinc/95/96/54/1263959654.db2.gz ZGAKUKGXOOBBNT-HUUCEWRRSA-N 1 1 354.451 0.689 10 5 FCBEMO CC(C)[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001497952277 1263959668 /nfs/dbraw/zinc/95/96/68/1263959668.db2.gz ZGAKUKGXOOBBNT-HUUCEWRRSA-N 1 1 354.451 0.689 10 5 FCBEMO O=C(NC1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001499483919 1264030707 /nfs/dbraw/zinc/03/07/07/1264030707.db2.gz HQKHNVNUDMUUBI-ZIAGYGMSSA-N 1 1 364.446 0.825 10 5 FCBEMO O=C(NCC1([NH2+]Cc2ccc(CO)cc2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001325002083 1264753977 /nfs/dbraw/zinc/75/39/77/1264753977.db2.gz HXENDTUEIPXZHG-HZPDHXFCSA-N 1 1 363.414 0.599 10 5 FCBEMO CC[N@@H+](CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(C)C ZINC001542947342 1267515031 /nfs/dbraw/zinc/51/50/31/1267515031.db2.gz CPCZLAPWEMNJRN-UHFFFAOYSA-N 1 1 358.420 0.702 10 5 FCBEMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001545346298 1267611690 /nfs/dbraw/zinc/61/16/90/1267611690.db2.gz FXQGDHIVLYVPKU-NSHDSACASA-N 1 1 350.375 0.886 10 5 FCBEMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@]1(CO)COCC[NH2+]1 ZINC001557959683 1268995658 /nfs/dbraw/zinc/99/56/58/1268995658.db2.gz ADRDZEAHLJBGOG-INIZCTEOSA-N 1 1 351.359 0.025 10 5 FCBEMO CONC(=O)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001560123509 1269190203 /nfs/dbraw/zinc/19/02/03/1269190203.db2.gz ABERPMHWNODKEC-UHFFFAOYSA-N 1 1 362.386 0.874 10 5 FCBEMO O=C(NCCN1CC[NH+](CCC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001566649095 1269654915 /nfs/dbraw/zinc/65/49/15/1269654915.db2.gz HUNLUMQMQQXFIZ-HZPDHXFCSA-N 1 1 354.451 0.202 10 5 FCBEMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001567356114 1269691282 /nfs/dbraw/zinc/69/12/82/1269691282.db2.gz NIYBQYQRTCNOIL-LBPRGKRZSA-N 1 1 370.431 0.845 10 5 FCBEMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569472434 1269786668 /nfs/dbraw/zinc/78/66/68/1269786668.db2.gz KPKMNNVWGNQVPB-ZFWWWQNUSA-N 1 1 364.377 0.969 10 5 FCBEMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569472434 1269786679 /nfs/dbraw/zinc/78/66/79/1269786679.db2.gz KPKMNNVWGNQVPB-ZFWWWQNUSA-N 1 1 364.377 0.969 10 5 FCBEMO CC1CCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001570103666 1269839418 /nfs/dbraw/zinc/83/94/18/1269839418.db2.gz CMEIDRZRAIQIFX-ZIAGYGMSSA-N 1 1 352.435 0.539 10 5 FCBEMO CCc1onc(C)c1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001570301172 1269867843 /nfs/dbraw/zinc/86/78/43/1269867843.db2.gz MQRIZWQLPXPDPM-TZMCWYRMSA-N 1 1 366.418 0.966 10 5 FCBEMO CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001571796031 1269958141 /nfs/dbraw/zinc/95/81/41/1269958141.db2.gz RERMNRLJMKRWJQ-CHWSQXEVSA-N 1 1 352.435 0.348 10 5 FCBEMO C[N@@H+](CC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001576410449 1273242437 /nfs/dbraw/zinc/24/24/37/1273242437.db2.gz HZHZFFWOYGJGCE-ZIAGYGMSSA-N 1 1 354.451 0.737 10 5 FCBEMO C[N@H+](CC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001576410449 1273242440 /nfs/dbraw/zinc/24/24/40/1273242440.db2.gz HZHZFFWOYGJGCE-ZIAGYGMSSA-N 1 1 354.451 0.737 10 5 FCBEMO C[N@@H+](CC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001576410449 1273242444 /nfs/dbraw/zinc/24/24/44/1273242444.db2.gz HZHZFFWOYGJGCE-ZIAGYGMSSA-N 1 1 354.451 0.737 10 5 FCBEMO C[NH+](C)C1(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCC1 ZINC001578562177 1275990629 /nfs/dbraw/zinc/99/06/29/1275990629.db2.gz WLTWMPYOOJAXFW-AAVRWANBSA-N 1 1 352.435 0.680 10 5 FCBEMO CC(C)N(C)C(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001718002678 1287452862 /nfs/dbraw/zinc/45/28/62/1287452862.db2.gz BYTQRRYBYCXXSK-HUUCEWRRSA-N 1 1 366.462 0.879 10 5 FCBEMO CN(CC(C)(C)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718124264 1287460454 /nfs/dbraw/zinc/46/04/54/1287460454.db2.gz HMVVNFRGJBBVGN-CHWSQXEVSA-N 1 1 354.451 0.594 10 5 FCBEMO CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCC[NH+]1CCCCC1 ZINC001582947296 1282055450 /nfs/dbraw/zinc/05/54/50/1282055450.db2.gz PBDLGTQUTHZQJQ-HUUCEWRRSA-N 1 1 354.451 0.835 10 5 FCBEMO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001583471016 1282092416 /nfs/dbraw/zinc/09/24/16/1282092416.db2.gz FAHHQLTYCBCHDM-SNVBAGLBSA-N 1 1 354.388 0.209 10 5 FCBEMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001587412930 1282354111 /nfs/dbraw/zinc/35/41/11/1282354111.db2.gz VQCYJJAGJNNRHM-CYBMUJFWSA-N 1 1 363.292 0.694 10 5 FCBEMO CC1CC[NH+](CC(=O)NCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001718879678 1287594068 /nfs/dbraw/zinc/59/40/68/1287594068.db2.gz LAGWAMTWPGTELS-HZPDHXFCSA-N 1 1 364.446 0.658 10 5 FCBEMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001641753893 1282972855 /nfs/dbraw/zinc/97/28/55/1282972855.db2.gz LHKRTSQDWDTWTI-CYBMUJFWSA-N 1 1 364.402 0.468 10 5 FCBEMO O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001702498146 1285693584 /nfs/dbraw/zinc/69/35/84/1285693584.db2.gz RQYGRAQAFOGCLG-QKPAOTATSA-N 1 1 366.462 0.929 10 5 FCBEMO CCN(CCNC(=O)c1cccc(C[NH+](C)C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704282891 1286214200 /nfs/dbraw/zinc/21/42/00/1286214200.db2.gz 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1 1 366.462 0.929 10 5 FCBEMO CC(C)(C)NC(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001724784169 1288449289 /nfs/dbraw/zinc/44/92/89/1288449289.db2.gz BQNIWNILVURSRY-VXGBXAGGSA-N 1 1 355.439 0.378 10 5 FCBEMO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CCCCCC1 ZINC001725351690 1288465972 /nfs/dbraw/zinc/46/59/72/1288465972.db2.gz BOEAKDOVNGRWDP-DTZQCDIJSA-N 1 1 366.462 0.975 10 5 FCBEMO Cc1csc(=O)n1CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001734205712 1288645999 /nfs/dbraw/zinc/64/59/99/1288645999.db2.gz WCKPXNPSAZAPFQ-FDYHWXHSSA-N 1 1 354.432 0.368 10 5 FCBEMO CCCN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737864482 1289600969 /nfs/dbraw/zinc/60/09/69/1289600969.db2.gz DTPDBTQNYNBIGO-ZIAGYGMSSA-N 1 1 352.435 0.635 10 5 FCBEMO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564204 1290001747 /nfs/dbraw/zinc/00/17/47/1290001747.db2.gz CXZQUNUUHREBIL-IJEWVQPXSA-N 1 1 365.434 0.923 10 5 FCBEMO 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/nfs/dbraw/zinc/97/95/64/546979564.db2.gz MTBVCENZSMOFGQ-UHFFFAOYSA-N 1 1 366.403 0.671 10 5 FCBEMO [NH3+]CC(F)(F)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000593909684 546994236 /nfs/dbraw/zinc/99/42/36/546994236.db2.gz KJPXFUROQVXMKF-UHFFFAOYSA-N 1 1 356.329 0.863 10 5 FCBEMO NC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000860012219 671862710 /nfs/dbraw/zinc/86/27/10/671862710.db2.gz QNOOLHSHJNMINU-LLVKDONJSA-N 1 1 354.338 0.639 10 5 FCBEMO NC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000860012219 671862714 /nfs/dbraw/zinc/86/27/14/671862714.db2.gz QNOOLHSHJNMINU-LLVKDONJSA-N 1 1 354.338 0.639 10 5 FCBEMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860195088 671874935 /nfs/dbraw/zinc/87/49/35/671874935.db2.gz NKNHYOAZHPWHHA-SWLSCSKDSA-N 1 1 357.432 0.889 10 5 FCBEMO CCN(C(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)C1CC1 ZINC001481897263 1187545858 /nfs/dbraw/zinc/54/58/58/1187545858.db2.gz UFYLGQHBJFTCMI-ZIAGYGMSSA-N 1 1 352.435 0.681 10 5 FCBEMO CN(C)C(=O)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001268540109 1187583309 /nfs/dbraw/zinc/58/33/09/1187583309.db2.gz BPOHIKFJBPJZES-JGPFYOFESA-N 1 1 360.414 0.816 10 5 FCBEMO CCn1cc(CC[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)cn1 ZINC001271038300 1189524119 /nfs/dbraw/zinc/52/41/19/1189524119.db2.gz JYGLHMDCMLCZDT-HUUCEWRRSA-N 1 1 365.434 0.366 10 5 FCBEMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393760 1196718717 /nfs/dbraw/zinc/71/87/17/1196718717.db2.gz PBDLPBMGOUGZLR-JKSUJKDBSA-N 1 1 357.370 0.672 10 5 FCBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1N1CCOCC1 ZINC000594603097 1196728842 /nfs/dbraw/zinc/72/88/42/1196728842.db2.gz IXBOMWCHLUOPLZ-QWHCGFSZSA-N 1 1 366.393 0.826 10 5 FCBEMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000816948890 1203083842 /nfs/dbraw/zinc/08/38/42/1203083842.db2.gz JIRGHOUIIZSWMG-SMDDNHRTSA-N 1 1 363.370 0.957 10 5 FCBEMO NC(=O)Cc1cccc2c1CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001175276969 1206302626 /nfs/dbraw/zinc/30/26/26/1206302626.db2.gz NGXQDDJIXYRLMI-HNNXBMFYSA-N 1 1 359.386 0.238 10 5 FCBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000794928582 1209997875 /nfs/dbraw/zinc/99/78/75/1209997875.db2.gz JCGFWAMPYKBFKH-YJBOKZPZSA-N 1 1 373.457 0.879 10 5 FCBEMO O=C(NC/C=C\C[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001274017725 1210861554 /nfs/dbraw/zinc/86/15/54/1210861554.db2.gz VOFRJCGBLOCYON-RAQZUPNJSA-N 1 1 371.397 0.324 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827099788 1219009856 /nfs/dbraw/zinc/00/98/56/1219009856.db2.gz GJSWGFOSEQBKGA-INIZCTEOSA-N 1 1 364.402 0.251 10 5 FCBEMO CC[C@H](CO)[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000759629037 1220332333 /nfs/dbraw/zinc/33/23/33/1220332333.db2.gz VQWAFHGOCBAUNW-CQSZACIVSA-N 1 1 361.402 0.860 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186850 1222639768 /nfs/dbraw/zinc/63/97/68/1222639768.db2.gz ATSOQUUGYSWYTJ-LBPRGKRZSA-N 1 1 366.374 0.961 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186850 1222639771 /nfs/dbraw/zinc/63/97/71/1222639771.db2.gz ATSOQUUGYSWYTJ-LBPRGKRZSA-N 1 1 366.374 0.961 10 5 FCBEMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@@H]21 ZINC001332012146 1266315562 /nfs/dbraw/zinc/31/55/62/1266315562.db2.gz JIZYNEHENNEVTK-BBRMVZONSA-N 1 1 358.398 0.990 10 5 FCBEMO O=C(NCc1ccc(C[NH2+]CCn2cncn2)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001279709679 1260918747 /nfs/dbraw/zinc/91/87/47/1260918747.db2.gz FFKXBYACOILYBI-UKRRQHHQSA-N 1 1 362.365 0.488 10 5 FCBEMO C[N@H+]1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(C)(C)C1 ZINC001472025894 1261426610 /nfs/dbraw/zinc/42/66/10/1261426610.db2.gz HYCOJSNLRZYFQK-GFCCVEGCSA-N 1 1 360.370 0.647 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001472258437 1261456001 /nfs/dbraw/zinc/45/60/01/1261456001.db2.gz GJOXIHNWCCZUDT-KBPBESRZSA-N 1 1 351.407 0.547 10 5 FCBEMO C[NH+](C)C1(CC(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCC1 ZINC001283410103 1261683870 /nfs/dbraw/zinc/68/38/70/1261683870.db2.gz MTMAPIFNZBIGIX-HUUCEWRRSA-N 1 1 366.462 0.977 10 5 FCBEMO C[NH+]1CCC(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)CC1 ZINC001297518397 1262875374 /nfs/dbraw/zinc/87/53/74/1262875374.db2.gz MRYQOVNPZFVMIJ-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298329285 1262922499 /nfs/dbraw/zinc/92/24/99/1262922499.db2.gz YIAPZSRCTANHLI-CQSZACIVSA-N 1 1 374.401 0.752 10 5 FCBEMO CS(=O)(=O)CC1(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001484633960 1263479374 /nfs/dbraw/zinc/47/93/74/1263479374.db2.gz FQRQZFNOBGLZSY-VXGBXAGGSA-N 1 1 359.448 0.105 10 5 FCBEMO CCN(CC[NH2+]Cc1cnnn1-c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497391066 1263927332 /nfs/dbraw/zinc/92/73/32/1263927332.db2.gz NHKYEDCLXMDIFF-HZPDHXFCSA-N 1 1 358.402 0.871 10 5 FCBEMO CC(C)[N@@H+](C)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001509794481 1264467951 /nfs/dbraw/zinc/46/79/51/1264467951.db2.gz JDBCGWZTOIHVEF-DTDBQYNISA-N 1 1 366.462 0.689 10 5 FCBEMO CC(C)[N@H+](C)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001509794481 1264467955 /nfs/dbraw/zinc/46/79/55/1264467955.db2.gz JDBCGWZTOIHVEF-DTDBQYNISA-N 1 1 366.462 0.689 10 5 FCBEMO CC(C)[N@@H+](C)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001509794481 1264467959 /nfs/dbraw/zinc/46/79/59/1264467959.db2.gz JDBCGWZTOIHVEF-DTDBQYNISA-N 1 1 366.462 0.689 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001510159729 1264484079 /nfs/dbraw/zinc/48/40/79/1264484079.db2.gz VNQDAWNBGMJTDY-HUUCEWRRSA-N 1 1 354.451 0.833 10 5 FCBEMO CCC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001510159729 1264484082 /nfs/dbraw/zinc/48/40/82/1264484082.db2.gz VNQDAWNBGMJTDY-HUUCEWRRSA-N 1 1 354.451 0.833 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001510159729 1264484084 /nfs/dbraw/zinc/48/40/84/1264484084.db2.gz VNQDAWNBGMJTDY-HUUCEWRRSA-N 1 1 354.451 0.833 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001512295732 1264615874 /nfs/dbraw/zinc/61/58/74/1264615874.db2.gz MZOGEUVXHBWJOH-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001512295732 1264615876 /nfs/dbraw/zinc/61/58/76/1264615876.db2.gz MZOGEUVXHBWJOH-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001512295732 1264615881 /nfs/dbraw/zinc/61/58/81/1264615881.db2.gz MZOGEUVXHBWJOH-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CC(N3CC[NH+](CC)CC3)C2)c1[N+](=O)[O-] ZINC001522288996 1266469912 /nfs/dbraw/zinc/46/99/12/1266469912.db2.gz KDIVSFQXEFDRHX-UHFFFAOYSA-N 1 1 350.423 0.732 10 5 FCBEMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001334424730 1266993584 /nfs/dbraw/zinc/99/35/84/1266993584.db2.gz SSBGIXUTMKUBOS-AAEUAGOBSA-N 1 1 352.416 0.453 10 5 FCBEMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001334424730 1266993588 /nfs/dbraw/zinc/99/35/88/1266993588.db2.gz SSBGIXUTMKUBOS-AAEUAGOBSA-N 1 1 352.416 0.453 10 5 FCBEMO C[NH+](C)C1(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)CCC1 ZINC001531582733 1267141475 /nfs/dbraw/zinc/14/14/75/1267141475.db2.gz VQPUXZOQPSUKQD-CHWSQXEVSA-N 1 1 352.435 0.681 10 5 FCBEMO Cc1c(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001533492671 1267219803 /nfs/dbraw/zinc/21/98/03/1267219803.db2.gz KJAAPJSFIHEAEW-OKYAQOQYSA-N 1 1 357.370 0.710 10 5 FCBEMO CC(C)(C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001533490619 1267220571 /nfs/dbraw/zinc/22/05/71/1267220571.db2.gz BIICYKCSMPRCGY-KOABKASLSA-N 1 1 352.435 0.705 10 5 FCBEMO Cc1cc(=O)c(C(=O)NC[C@H]2CC[N@H+]2C)nn1-c1ccccc1[N+](=O)[O-] ZINC001535645939 1267305468 /nfs/dbraw/zinc/30/54/68/1267305468.db2.gz CHCJFDSZGGEDQO-GFCCVEGCSA-N 1 1 357.370 0.883 10 5 FCBEMO Cc1cc(=O)c(C(=O)NC[C@H]2CC[N@@H+]2C)nn1-c1ccccc1[N+](=O)[O-] ZINC001535645939 1267305475 /nfs/dbraw/zinc/30/54/75/1267305475.db2.gz CHCJFDSZGGEDQO-GFCCVEGCSA-N 1 1 357.370 0.883 10 5 FCBEMO C[N@@H+](CC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001537134985 1267357357 /nfs/dbraw/zinc/35/73/57/1267357357.db2.gz BGOWQDMCQFRRKE-HUUCEWRRSA-N 1 1 366.462 0.881 10 5 FCBEMO C[N@H+](CC(=O)NCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001537134985 1267357368 /nfs/dbraw/zinc/35/73/68/1267357368.db2.gz BGOWQDMCQFRRKE-HUUCEWRRSA-N 1 1 366.462 0.881 10 5 FCBEMO C[N@@H+](CC(=O)NCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001537134985 1267357379 /nfs/dbraw/zinc/35/73/79/1267357379.db2.gz BGOWQDMCQFRRKE-HUUCEWRRSA-N 1 1 366.462 0.881 10 5 FCBEMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001545346297 1267611809 /nfs/dbraw/zinc/61/18/09/1267611809.db2.gz FXQGDHIVLYVPKU-LLVKDONJSA-N 1 1 350.375 0.886 10 5 FCBEMO C[NH+]1CCC(C(=O)NCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001340528441 1268577625 /nfs/dbraw/zinc/57/76/25/1268577625.db2.gz PEHWPQBUPXLLEM-ZIAGYGMSSA-N 1 1 352.435 0.396 10 5 FCBEMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001559500591 1269170777 /nfs/dbraw/zinc/17/07/77/1269170777.db2.gz GLZGAAOWEUMVES-GXTWGEPZSA-N 1 1 353.423 0.963 10 5 FCBEMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001560054072 1269184594 /nfs/dbraw/zinc/18/45/94/1269184594.db2.gz RIMFBDDLCNSWGQ-NEPJUHHUSA-N 1 1 352.391 0.539 10 5 FCBEMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001560054072 1269184596 /nfs/dbraw/zinc/18/45/96/1269184596.db2.gz RIMFBDDLCNSWGQ-NEPJUHHUSA-N 1 1 352.391 0.539 10 5 FCBEMO CC(C)Cn1ncnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001570103941 1269838996 /nfs/dbraw/zinc/83/89/96/1269838996.db2.gz NTUHBWBGCYQTAB-CHWSQXEVSA-N 1 1 350.423 0.728 10 5 FCBEMO CCS(=O)(=O)CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001570373370 1269874111 /nfs/dbraw/zinc/87/41/11/1269874111.db2.gz TXPJFYWSZSFVBU-CHWSQXEVSA-N 1 1 361.464 0.447 10 5 FCBEMO CCCCNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001571059578 1269924994 /nfs/dbraw/zinc/92/49/94/1269924994.db2.gz OMGYKLBAJDUAJR-DTDBQYNISA-N 1 1 366.462 0.738 10 5 FCBEMO C[N@@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)CC(C)(C)C ZINC001572065184 1269993342 /nfs/dbraw/zinc/99/33/42/1269993342.db2.gz XYXMQPGXLAJOHS-AAVRWANBSA-N 1 1 354.451 0.641 10 5 FCBEMO C[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC(C)(C)C ZINC001572065184 1269993348 /nfs/dbraw/zinc/99/33/48/1269993348.db2.gz XYXMQPGXLAJOHS-AAVRWANBSA-N 1 1 354.451 0.641 10 5 FCBEMO C[N@@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC(C)(C)C ZINC001572065184 1269993354 /nfs/dbraw/zinc/99/33/54/1269993354.db2.gz XYXMQPGXLAJOHS-AAVRWANBSA-N 1 1 354.451 0.641 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001576455219 1273286668 /nfs/dbraw/zinc/28/66/68/1273286668.db2.gz GBTHEKQAEPDPIB-HZPDHXFCSA-N 1 1 366.462 0.882 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCCc1cccs1 ZINC001713948450 1287307487 /nfs/dbraw/zinc/30/74/87/1287307487.db2.gz NFWOUNXHNNGHNB-HBJVGIJOSA-N 1 1 366.443 0.309 10 5 FCBEMO CCN(CC[NH2+]Cc1cc(-c2cnn(C)c2)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716217359 1287374297 /nfs/dbraw/zinc/37/42/97/1287374297.db2.gz PQUZFXVSNSCWRY-UKRRQHHQSA-N 1 1 362.390 0.678 10 5 FCBEMO 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O=C(NCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CC1 ZINC001700618951 1289599187 /nfs/dbraw/zinc/59/91/87/1289599187.db2.gz HFPPAHJKQCJSKO-ZIAGYGMSSA-N 1 1 350.419 0.102 10 5 FCBEMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001618273183 1289895542 /nfs/dbraw/zinc/89/55/42/1289895542.db2.gz IBYRERNRUNJVIF-CMPLNLGQSA-N 1 1 370.431 0.797 10 5 FCBEMO O=C(CC[N@@H+]1CCN2CCOC[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001620618612 1290008311 /nfs/dbraw/zinc/00/83/11/1290008311.db2.gz JRPOERBHZVRRSI-QGZVFWFLSA-N 1 1 364.402 0.302 10 5 FCBEMO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001629591125 1290613081 /nfs/dbraw/zinc/61/30/81/1290613081.db2.gz ORYRSRXTDCYRAC-IUODEOHRSA-N 1 1 363.418 0.075 10 5 FCBEMO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001629591125 1290613099 /nfs/dbraw/zinc/61/30/99/1290613099.db2.gz ORYRSRXTDCYRAC-IUODEOHRSA-N 1 1 363.418 0.075 10 5 FCBEMO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@H+]1C ZINC001629591125 1290613109 /nfs/dbraw/zinc/61/31/09/1290613109.db2.gz ORYRSRXTDCYRAC-IUODEOHRSA-N 1 1 363.418 0.075 10 5 FCBEMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001629615712 1290615522 /nfs/dbraw/zinc/61/55/22/1290615522.db2.gz KJRVQWKKDDZRJT-LLVKDONJSA-N 1 1 353.379 0.196 10 5 FCBEMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001629787572 1290625176 /nfs/dbraw/zinc/62/51/76/1290625176.db2.gz SADNPCGTEKQPNV-QGZVFWFLSA-N 1 1 363.418 0.485 10 5 FCBEMO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001650977220 1291189981 /nfs/dbraw/zinc/18/99/81/1291189981.db2.gz FZLNBSGYJSVWIM-ZDUSSCGKSA-N 1 1 366.422 0.153 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001660346886 1291655771 /nfs/dbraw/zinc/65/57/71/1291655771.db2.gz GHESFKRSKGEZEX-HNNXBMFYSA-N 1 1 362.386 0.727 10 5 FCBEMO CC[N@H+](CC(=O)NC(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001674339983 1292137750 /nfs/dbraw/zinc/13/77/50/1292137750.db2.gz ZUPFMSBRXNWFTF-HUUCEWRRSA-N 1 1 354.451 0.737 10 5 FCBEMO CC[N@@H+](CC(=O)NC(C)C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001674339983 1292137756 /nfs/dbraw/zinc/13/77/56/1292137756.db2.gz ZUPFMSBRXNWFTF-HUUCEWRRSA-N 1 1 354.451 0.737 10 5 FCBEMO CC[N@H+](CC(=O)NC(C)C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001674339983 1292137760 /nfs/dbraw/zinc/13/77/60/1292137760.db2.gz ZUPFMSBRXNWFTF-HUUCEWRRSA-N 1 1 354.451 0.737 10 5 FCBEMO C[N@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3C[C@H]3CCOC3)CC[C@H]21 ZINC001123105738 848568949 /nfs/dbraw/zinc/56/89/49/848568949.db2.gz BIZBHCBNRSXWKW-MGPQQGTHSA-N 1 1 350.423 0.622 10 5 FCBEMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CC2)C1 ZINC001136782823 849241041 /nfs/dbraw/zinc/24/10/41/849241041.db2.gz HIODUTIENMIEKJ-JTQLQIEISA-N 1 1 356.814 0.823 10 5 FCBEMO 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CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001356469794 868009396 /nfs/dbraw/zinc/00/93/96/868009396.db2.gz JFNAYUFXNQDKLV-ZIAGYGMSSA-N 1 1 354.451 0.738 10 5 FCBEMO CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001356469794 868009413 /nfs/dbraw/zinc/00/94/13/868009413.db2.gz JFNAYUFXNQDKLV-ZIAGYGMSSA-N 1 1 354.451 0.738 10 5 FCBEMO CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001356469794 868009432 /nfs/dbraw/zinc/00/94/32/868009432.db2.gz JFNAYUFXNQDKLV-ZIAGYGMSSA-N 1 1 354.451 0.738 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001324772311 869672652 /nfs/dbraw/zinc/67/26/52/869672652.db2.gz XYFYTSVIMWTPFF-GWCFXTLKSA-N 1 1 369.399 0.706 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001324772311 869672663 /nfs/dbraw/zinc/67/26/63/869672663.db2.gz XYFYTSVIMWTPFF-GWCFXTLKSA-N 1 1 369.399 0.706 10 5 FCBEMO Cc1csc(=O)n1CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327213087 870721338 /nfs/dbraw/zinc/72/13/38/870721338.db2.gz PCLOFSSHNUEVIU-CHWSQXEVSA-N 1 1 356.448 0.664 10 5 FCBEMO Cc1csc(=O)n1CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001327213087 870721348 /nfs/dbraw/zinc/72/13/48/870721348.db2.gz PCLOFSSHNUEVIU-CHWSQXEVSA-N 1 1 356.448 0.664 10 5 FCBEMO Cc1csc(=O)n1CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001327213087 870721358 /nfs/dbraw/zinc/72/13/58/870721358.db2.gz PCLOFSSHNUEVIU-CHWSQXEVSA-N 1 1 356.448 0.664 10 5 FCBEMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000265445712 210137834 /nfs/dbraw/zinc/13/78/34/210137834.db2.gz JLRROIWITKFMHJ-APHBMKBZSA-N 1 1 369.443 0.743 10 5 FCBEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193562029 209315125 /nfs/dbraw/zinc/31/51/25/209315125.db2.gz LUBSMWIPGAEVCU-CQSZACIVSA-N 1 1 363.418 0.938 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189630116 209256144 /nfs/dbraw/zinc/25/61/44/209256144.db2.gz RBJZGBSWBJBEHP-AWEZNQCLSA-N 1 1 361.406 0.575 10 5 FCBEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000181455932 209115303 /nfs/dbraw/zinc/11/53/03/209115303.db2.gz DYWTVZVMKMUHQJ-OAHLLOKOSA-N 1 1 372.385 0.231 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000453817353 249373945 /nfs/dbraw/zinc/37/39/45/249373945.db2.gz KCPQPYLQIISDHR-CQSZACIVSA-N 1 1 364.402 0.805 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000270370719 211191210 /nfs/dbraw/zinc/19/12/10/211191210.db2.gz DCHOWBUSKFKLEY-ZDUSSCGKSA-N 1 1 367.402 0.897 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000266181146 210298204 /nfs/dbraw/zinc/29/82/04/210298204.db2.gz CDFHSSWZMDOQAX-NSHDSACASA-N 1 1 358.420 0.135 10 5 FCBEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000176674782 209007690 /nfs/dbraw/zinc/00/76/90/209007690.db2.gz QTQFUDALMRGYCB-OAHLLOKOSA-N 1 1 364.450 0.810 10 5 FCBEMO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1CCO ZINC000187289412 229241012 /nfs/dbraw/zinc/24/10/12/229241012.db2.gz WAXQEDVGDFOMKG-CYBMUJFWSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1CCO ZINC000187289412 229241015 /nfs/dbraw/zinc/24/10/15/229241015.db2.gz WAXQEDVGDFOMKG-CYBMUJFWSA-N 1 1 359.386 0.919 10 5 FCBEMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)N1 ZINC000279076001 488915411 /nfs/dbraw/zinc/91/54/11/488915411.db2.gz NGWHXGOIVJNVBH-INIZCTEOSA-N 1 1 362.342 0.635 10 5 FCBEMO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@H+]1C[C@H](C)O ZINC000247022859 488480509 /nfs/dbraw/zinc/48/05/09/488480509.db2.gz WVRCKWZCTRZADK-JSGCOSHPSA-N 1 1 353.423 0.793 10 5 FCBEMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000115275129 488543605 /nfs/dbraw/zinc/54/36/05/488543605.db2.gz ISOSCYMAEQVFJF-OLZOCXBDSA-N 1 1 354.411 0.440 10 5 FCBEMO CN(C)c1nc(N2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)cc[nH+]1 ZINC000123898822 488588563 /nfs/dbraw/zinc/58/85/63/488588563.db2.gz JEMKINHIEAJNKC-UHFFFAOYSA-N 1 1 360.378 0.147 10 5 FCBEMO Cc1cc(=O)n(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000128756624 488626437 /nfs/dbraw/zinc/62/64/37/488626437.db2.gz YCPHKISYVFKPIH-AWEZNQCLSA-N 1 1 366.418 0.538 10 5 FCBEMO CCOC(=O)C1(O)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273092483 488630987 /nfs/dbraw/zinc/63/09/87/488630987.db2.gz BHUXMNKHKWVEDR-CYBMUJFWSA-N 1 1 368.386 0.725 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000273423538 488649861 /nfs/dbraw/zinc/64/98/61/488649861.db2.gz RHMMLCDSXUXRLF-CVEARBPZSA-N 1 1 369.443 0.491 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173831021 488845715 /nfs/dbraw/zinc/84/57/15/488845715.db2.gz CIQJJOZDGWAUDU-GXTWGEPZSA-N 1 1 351.407 0.669 10 5 FCBEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000173956832 488846517 /nfs/dbraw/zinc/84/65/17/488846517.db2.gz RZZSMMHIMROOGR-UONOGXRCSA-N 1 1 350.419 0.945 10 5 FCBEMO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000174785232 488851239 /nfs/dbraw/zinc/85/12/39/488851239.db2.gz MYTUFNRJLCMTER-HOTGVXAUSA-N 1 1 364.406 0.367 10 5 FCBEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000174785232 488851240 /nfs/dbraw/zinc/85/12/40/488851240.db2.gz MYTUFNRJLCMTER-HOTGVXAUSA-N 1 1 364.406 0.367 10 5 FCBEMO Cc1nc2c(cnn2C)c(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176233801 488857769 /nfs/dbraw/zinc/85/77/69/488857769.db2.gz AIRFHYVSQQNGOO-UHFFFAOYSA-N 1 1 371.405 0.599 10 5 FCBEMO [NH3+]CC(F)(F)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000570577977 491250625 /nfs/dbraw/zinc/25/06/25/491250625.db2.gz DPUUZJIJJHTVSH-UHFFFAOYSA-N 1 1 362.358 0.925 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000426484316 489570163 /nfs/dbraw/zinc/57/01/63/489570163.db2.gz GDIZKSODUJVGNZ-CHWSQXEVSA-N 1 1 366.418 0.929 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426484316 489570164 /nfs/dbraw/zinc/57/01/64/489570164.db2.gz GDIZKSODUJVGNZ-CHWSQXEVSA-N 1 1 366.418 0.929 10 5 FCBEMO COc1ccc(NC(=O)CCN2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492313 489571184 /nfs/dbraw/zinc/57/11/84/489571184.db2.gz PYFREOQLVQPEQW-ZDUSSCGKSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1ccc(NC(=O)CC[N@@H+]2CCN(CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492313 489571187 /nfs/dbraw/zinc/57/11/87/489571187.db2.gz PYFREOQLVQPEQW-ZDUSSCGKSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2CCN(CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492313 489571190 /nfs/dbraw/zinc/57/11/90/489571190.db2.gz PYFREOQLVQPEQW-ZDUSSCGKSA-N 1 1 366.418 0.930 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000416304655 489581527 /nfs/dbraw/zinc/58/15/27/489581527.db2.gz ZLYWGTIGJKFCGO-QWHCGFSZSA-N 1 1 364.402 0.238 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000427630178 489616083 /nfs/dbraw/zinc/61/60/83/489616083.db2.gz QSDNPTWNSWGKKX-UHFFFAOYSA-N 1 1 352.395 0.047 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457089020 489635069 /nfs/dbraw/zinc/63/50/69/489635069.db2.gz CSYBKVMTADEWLL-ZDUSSCGKSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457089020 489635071 /nfs/dbraw/zinc/63/50/71/489635071.db2.gz CSYBKVMTADEWLL-ZDUSSCGKSA-N 1 1 359.386 0.919 10 5 FCBEMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1C[C@H]3CCC[C@@H](C1)[NH2+]3)OCCO2 ZINC000372878506 489647325 /nfs/dbraw/zinc/64/73/25/489647325.db2.gz NUBUHARJZCAWOR-PHIMTYICSA-N 1 1 369.399 0.881 10 5 FCBEMO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000428520930 489652113 /nfs/dbraw/zinc/65/21/13/489652113.db2.gz IBZHCSBPDNEZKJ-CYBMUJFWSA-N 1 1 364.402 0.240 10 5 FCBEMO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000428520930 489652115 /nfs/dbraw/zinc/65/21/15/489652115.db2.gz IBZHCSBPDNEZKJ-CYBMUJFWSA-N 1 1 364.402 0.240 10 5 FCBEMO CCn1nncc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417908156 489670716 /nfs/dbraw/zinc/67/07/16/489670716.db2.gz BDBPUDWYKQFWHP-UHFFFAOYSA-N 1 1 354.392 0.274 10 5 FCBEMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1[N+](=O)[O-] ZINC000475714595 489844302 /nfs/dbraw/zinc/84/43/02/489844302.db2.gz IWCFADRFSBILHQ-NSHDSACASA-N 1 1 352.347 0.389 10 5 FCBEMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1[N+](=O)[O-] ZINC000475714595 489844304 /nfs/dbraw/zinc/84/43/04/489844304.db2.gz IWCFADRFSBILHQ-NSHDSACASA-N 1 1 352.347 0.389 10 5 FCBEMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000463190569 490003507 /nfs/dbraw/zinc/00/35/07/490003507.db2.gz FNHMTQNKFGVRTN-UHFFFAOYSA-N 1 1 358.420 0.622 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444723132 490110679 /nfs/dbraw/zinc/11/06/79/490110679.db2.gz UQACBCPJNOGSFG-JLLWLGSASA-N 1 1 352.313 0.787 10 5 FCBEMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC000421989831 490122767 /nfs/dbraw/zinc/12/27/67/490122767.db2.gz NUBQCSFWEUFYCS-CQSZACIVSA-N 1 1 370.431 0.426 10 5 FCBEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000408027626 490215256 /nfs/dbraw/zinc/21/52/56/490215256.db2.gz MGDRZSHVGQGAFI-GJZGRUSLSA-N 1 1 355.416 0.830 10 5 FCBEMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[N@H+](CCO)CC1 ZINC000447818975 490277738 /nfs/dbraw/zinc/27/77/38/490277738.db2.gz ZRERMLPOOVJMDA-UHFFFAOYSA-N 1 1 364.446 0.931 10 5 FCBEMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468805292 490451290 /nfs/dbraw/zinc/45/12/90/490451290.db2.gz CPTPFMGQJXVTBM-GFCCVEGCSA-N 1 1 373.431 0.993 10 5 FCBEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468805292 490451297 /nfs/dbraw/zinc/45/12/97/490451297.db2.gz CPTPFMGQJXVTBM-GFCCVEGCSA-N 1 1 373.431 0.993 10 5 FCBEMO CN(C)c1nc(N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc[nH+]1 ZINC000536429884 490577956 /nfs/dbraw/zinc/57/79/56/490577956.db2.gz NZLMBTPNHHIREU-UHFFFAOYSA-N 1 1 373.417 0.435 10 5 FCBEMO CCn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000549488457 490584762 /nfs/dbraw/zinc/58/47/62/490584762.db2.gz WMUKUGJPZFIKBX-NWDGAFQWSA-N 1 1 373.435 0.295 10 5 FCBEMO CCn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000549488457 490584767 /nfs/dbraw/zinc/58/47/67/490584767.db2.gz WMUKUGJPZFIKBX-NWDGAFQWSA-N 1 1 373.435 0.295 10 5 FCBEMO NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000512267198 490670060 /nfs/dbraw/zinc/67/00/60/490670060.db2.gz WMGOZXODBZZXRM-CHWSQXEVSA-N 1 1 359.404 0.087 10 5 FCBEMO Cc1sc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000572036648 491344686 /nfs/dbraw/zinc/34/46/86/491344686.db2.gz YNBIZHATAZVECO-UHFFFAOYSA-N 1 1 374.444 0.024 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542212072 490888762 /nfs/dbraw/zinc/88/87/62/490888762.db2.gz ALOYWUNHWJXLFJ-NWDGAFQWSA-N 1 1 359.404 0.087 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542212072 490888764 /nfs/dbraw/zinc/88/87/64/490888764.db2.gz ALOYWUNHWJXLFJ-NWDGAFQWSA-N 1 1 359.404 0.087 10 5 FCBEMO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000567846506 491534641 /nfs/dbraw/zinc/53/46/41/491534641.db2.gz FFAHHFILOKHKRN-UHFFFAOYSA-N 1 1 350.423 0.514 10 5 FCBEMO C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000576162040 491587035 /nfs/dbraw/zinc/58/70/35/491587035.db2.gz XKXQSBQJUXDWTK-MEDUHNTESA-N 1 1 368.365 0.952 10 5 FCBEMO C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000576162041 491587133 /nfs/dbraw/zinc/58/71/33/491587133.db2.gz XKXQSBQJUXDWTK-ZBEGNZNMSA-N 1 1 368.365 0.952 10 5 FCBEMO C[C@]1(F)C[NH2+]CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000580563534 491736542 /nfs/dbraw/zinc/73/65/42/491736542.db2.gz YTDCIRGSHAYRIG-INIZCTEOSA-N 1 1 366.349 0.480 10 5 FCBEMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000589929526 491767685 /nfs/dbraw/zinc/76/76/85/491767685.db2.gz JSAMKCWXEYSSRX-GWCFXTLKSA-N 1 1 369.399 0.706 10 5 FCBEMO Cc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444248 491776788 /nfs/dbraw/zinc/77/67/88/491776788.db2.gz NCXPAYUAGOIACZ-QMTHXVAHSA-N 1 1 368.415 0.327 10 5 FCBEMO CCOC(=O)c1ccnc(N2CC(C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000590568473 491779418 /nfs/dbraw/zinc/77/94/18/491779418.db2.gz VMTNPOVBPSKACU-UHFFFAOYSA-N 1 1 350.375 0.935 10 5 FCBEMO COC(=O)c1cc(C)nc(N2CC(C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000590567985 491779423 /nfs/dbraw/zinc/77/94/23/491779423.db2.gz LLSOPHSMWGCYMU-UHFFFAOYSA-N 1 1 350.375 0.853 10 5 FCBEMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594847078 491865683 /nfs/dbraw/zinc/86/56/83/491865683.db2.gz NEMSERVKHFGEQN-UHFFFAOYSA-N 1 1 357.388 0.548 10 5 FCBEMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595384358 491926478 /nfs/dbraw/zinc/92/64/78/491926478.db2.gz JLYAJLGNUAKQCM-MRXNPFEDSA-N 1 1 369.443 0.956 10 5 FCBEMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595384891 491926814 /nfs/dbraw/zinc/92/68/14/491926814.db2.gz PMUIBAXPUQINRR-MRXNPFEDSA-N 1 1 369.443 0.956 10 5 FCBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595869047 491957930 /nfs/dbraw/zinc/95/79/30/491957930.db2.gz TUDPQMPNKZLFJH-IRXDYDNUSA-N 1 1 365.430 0.866 10 5 FCBEMO CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](C)C1 ZINC000597946583 492074759 /nfs/dbraw/zinc/07/47/59/492074759.db2.gz PVUWQFZHXUEWKV-ZDUSSCGKSA-N 1 1 362.386 0.873 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598643313 492111581 /nfs/dbraw/zinc/11/15/81/492111581.db2.gz AFOFOEPBZXTCIZ-ZFWWWQNUSA-N 1 1 366.399 0.412 10 5 FCBEMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599568645 492189471 /nfs/dbraw/zinc/18/94/71/492189471.db2.gz HJKUEELKUSISEH-BBRMVZONSA-N 1 1 354.359 0.598 10 5 FCBEMO O=C([C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369551 492243693 /nfs/dbraw/zinc/24/36/93/492243693.db2.gz SXQYLHQLIMQXSV-ZFWWWQNUSA-N 1 1 351.407 0.487 10 5 FCBEMO COC(=O)c1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc([N+](=O)[O-])c1 ZINC000619873326 492280581 /nfs/dbraw/zinc/28/05/81/492280581.db2.gz DJBCOHNUCMGPEN-HNNXBMFYSA-N 1 1 362.386 0.501 10 5 FCBEMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000411567261 533935300 /nfs/dbraw/zinc/93/53/00/533935300.db2.gz ILITUEWIZZUYKU-CQSZACIVSA-N 1 1 364.402 0.805 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000591328850 546934163 /nfs/dbraw/zinc/93/41/63/546934163.db2.gz XNJSCCZCAVEZLT-QMTHXVAHSA-N 1 1 369.399 0.706 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000593531864 546970861 /nfs/dbraw/zinc/97/08/61/546970861.db2.gz JSSGQZHWCNHTHL-UHFFFAOYSA-N 1 1 370.431 0.723 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)nc1 ZINC000593552875 546973684 /nfs/dbraw/zinc/97/36/84/546973684.db2.gz JUKGVZFPEDKNJU-ZDUSSCGKSA-N 1 1 358.420 0.505 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000593552874 546973865 /nfs/dbraw/zinc/97/38/65/546973865.db2.gz JUKGVZFPEDKNJU-CYBMUJFWSA-N 1 1 358.420 0.505 10 5 FCBEMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107153 546996763 /nfs/dbraw/zinc/99/67/63/546996763.db2.gz HRULWXWCZBKXMN-RWMBFGLXSA-N 1 1 352.391 0.370 10 5 FCBEMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107153 546996767 /nfs/dbraw/zinc/99/67/67/546996767.db2.gz HRULWXWCZBKXMN-RWMBFGLXSA-N 1 1 352.391 0.370 10 5 FCBEMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594754138 547004877 /nfs/dbraw/zinc/00/48/77/547004877.db2.gz PDSSZCRGRGPNBZ-CYBMUJFWSA-N 1 1 369.447 0.390 10 5 FCBEMO O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000594759309 547005742 /nfs/dbraw/zinc/00/57/42/547005742.db2.gz NTOLASDWMIGUAF-GFCCVEGCSA-N 1 1 358.420 0.505 10 5 FCBEMO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[NH+](CCCO)CC2)c1[N+](=O)[O-] ZINC000758155591 667745566 /nfs/dbraw/zinc/74/55/66/667745566.db2.gz JOWSRIGAEHAZTI-UHFFFAOYSA-N 1 1 354.363 0.808 10 5 FCBEMO O=C1OCC[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000784222890 668647556 /nfs/dbraw/zinc/64/75/56/668647556.db2.gz RAPUZDDXHULGFS-QWHCGFSZSA-N 1 1 351.359 0.861 10 5 FCBEMO O=C1OCC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000784222890 668647560 /nfs/dbraw/zinc/64/75/60/668647560.db2.gz RAPUZDDXHULGFS-QWHCGFSZSA-N 1 1 351.359 0.861 10 5 FCBEMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127583 669081858 /nfs/dbraw/zinc/08/18/58/669081858.db2.gz FIIGOOQTNGDKTK-HUUCEWRRSA-N 1 1 357.432 0.984 10 5 FCBEMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127583 669081860 /nfs/dbraw/zinc/08/18/60/669081860.db2.gz FIIGOOQTNGDKTK-HUUCEWRRSA-N 1 1 357.432 0.984 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000837188034 670085403 /nfs/dbraw/zinc/08/54/03/670085403.db2.gz GPWCSYUNNDFUDD-LBPRGKRZSA-N 1 1 351.359 0.311 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000837188034 670085405 /nfs/dbraw/zinc/08/54/05/670085405.db2.gz GPWCSYUNNDFUDD-LBPRGKRZSA-N 1 1 351.359 0.311 10 5 FCBEMO Cn1cc[nH+]c1N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000853355002 671546695 /nfs/dbraw/zinc/54/66/95/671546695.db2.gz CWZSIWYWYVYDMD-UHFFFAOYSA-N 1 1 366.403 0.302 10 5 FCBEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(Cn3nccc3[N+](=O)[O-])CC2)C1 ZINC000117325761 671877641 /nfs/dbraw/zinc/87/76/41/671877641.db2.gz AQWNBGKHWHZJIZ-OAHLLOKOSA-N 1 1 352.439 0.476 10 5 FCBEMO CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NCc1cc(F)cc(F)c1 ZINC001266273189 1167812327 /nfs/dbraw/zinc/81/23/27/1167812327.db2.gz MGPJJUNXDSJIKN-ZIAGYGMSSA-N 1 1 370.356 0.294 10 5 FCBEMO CC1CC[NH+](CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)CC1 ZINC001746228709 1192353480 /nfs/dbraw/zinc/35/34/80/1192353480.db2.gz BZZJJDZGCHAYGK-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO CN(CC[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371794 1180051769 /nfs/dbraw/zinc/05/17/69/1180051769.db2.gz VJIKNFANVUSLIG-HUUCEWRRSA-N 1 1 368.478 0.984 10 5 FCBEMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)CC[C@H]21 ZINC001648928043 1183673073 /nfs/dbraw/zinc/67/30/73/1183673073.db2.gz IQHATXRGAHWFAV-BXUZGUMPSA-N 1 1 357.374 0.737 10 5 FCBEMO CC(C)NC(=O)NCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001482016179 1187570559 /nfs/dbraw/zinc/57/05/59/1187570559.db2.gz VIQYMURWSAYWCC-AAVRWANBSA-N 1 1 355.439 0.376 10 5 FCBEMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000906730642 1195651400 /nfs/dbraw/zinc/65/14/00/1195651400.db2.gz KOOUQNADHFZSED-AWEZNQCLSA-N 1 1 362.434 0.496 10 5 FCBEMO CCOc1ccc(NC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594026621 1196847517 /nfs/dbraw/zinc/84/75/17/1196847517.db2.gz FTEFRGZMPLOCEK-QWHCGFSZSA-N 1 1 364.402 0.683 10 5 FCBEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000747774910 1202977601 /nfs/dbraw/zinc/97/76/01/1202977601.db2.gz FHDJGSMKTOHEHN-GFCCVEGCSA-N 1 1 369.374 0.818 10 5 FCBEMO C[N@H+]1C[C@@H]2CN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@]2(C)C1 ZINC001134332178 1203020220 /nfs/dbraw/zinc/02/02/20/1203020220.db2.gz FMECVAFKKKECDG-DIFFPNOSSA-N 1 1 360.370 0.913 10 5 FCBEMO C[C@@](Cn1cccn1)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC001198574202 1208266601 /nfs/dbraw/zinc/26/66/01/1208266601.db2.gz RDRSDKDMQVRVNF-KRWDZBQOSA-N 1 1 372.385 0.214 10 5 FCBEMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000866708797 1210002780 /nfs/dbraw/zinc/00/27/80/1210002780.db2.gz GXTSPYLZDJTDRP-BMFZPTHFSA-N 1 1 362.386 0.841 10 5 FCBEMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306772 1245365006 /nfs/dbraw/zinc/36/50/06/1245365006.db2.gz ZJAHNMYDJAFWBN-UONOGXRCSA-N 1 1 364.358 0.713 10 5 FCBEMO Cn1ncc(C[NH2+]CCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)n1 ZINC001266083999 1260421389 /nfs/dbraw/zinc/42/13/89/1260421389.db2.gz WVMAAFRXJXDEPQ-HZPDHXFCSA-N 1 1 358.402 0.429 10 5 FCBEMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001472877046 1261486112 /nfs/dbraw/zinc/48/61/12/1261486112.db2.gz ZVZNYWBOZMTRAG-UHFFFAOYSA-N 1 1 372.447 0.715 10 5 FCBEMO COC1(OC)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC001473751676 1261494366 /nfs/dbraw/zinc/49/43/66/1261494366.db2.gz KVFZETNDALSBBG-IUODEOHRSA-N 1 1 356.375 0.390 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001473775549 1261497487 /nfs/dbraw/zinc/49/74/87/1261497487.db2.gz TVWRENNWNQVTGJ-MGPQQGTHSA-N 1 1 370.427 0.701 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001473775549 1261497490 /nfs/dbraw/zinc/49/74/90/1261497490.db2.gz TVWRENNWNQVTGJ-MGPQQGTHSA-N 1 1 370.427 0.701 10 5 FCBEMO C[NH+]1CCC(C(=O)NCCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001285159894 1261818133 /nfs/dbraw/zinc/81/81/33/1261818133.db2.gz PQJJQPHZVTYCDQ-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO CC(C)N(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001485663129 1263511732 /nfs/dbraw/zinc/51/17/32/1263511732.db2.gz QGARBPKMHNYEKB-ZIAGYGMSSA-N 1 1 352.435 0.443 10 5 FCBEMO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001487424521 1263603061 /nfs/dbraw/zinc/60/30/61/1263603061.db2.gz KPARVLGPXZMRQD-KLHDSHLOSA-N 1 1 366.462 0.929 10 5 FCBEMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)Nc1cnccn1 ZINC001495158398 1263799954 /nfs/dbraw/zinc/79/99/54/1263799954.db2.gz MALHXWRVUGXICC-VXGBXAGGSA-N 1 1 362.390 0.099 10 5 FCBEMO CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)CCC[NH+](C)C ZINC001497950833 1263960296 /nfs/dbraw/zinc/96/02/96/1263960296.db2.gz CYYQANWVAMNGKC-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO Cc1noc(C)c1C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001501257835 1264114026 /nfs/dbraw/zinc/11/40/26/1264114026.db2.gz GAPKRZCZVSYBFA-GDBMZVCRSA-N 1 1 365.434 0.627 10 5 FCBEMO O=C(NCC1([NH2+]CCc2ccc3c(c2)OCCO3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001323441119 1264430201 /nfs/dbraw/zinc/43/02/01/1264430201.db2.gz FPLNMQVDYALYSP-ZIAGYGMSSA-N 1 1 361.398 0.904 10 5 FCBEMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)NCC1CC1 ZINC001325618718 1264948435 /nfs/dbraw/zinc/94/84/35/1264948435.db2.gz ZBLPAAKXTPKRES-YIDVYQOGSA-N 1 1 364.446 0.537 10 5 FCBEMO O=C(C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2)NCC1CC1 ZINC001325618718 1264948446 /nfs/dbraw/zinc/94/84/46/1264948446.db2.gz ZBLPAAKXTPKRES-YIDVYQOGSA-N 1 1 364.446 0.537 10 5 FCBEMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2)NCC1CC1 ZINC001325618718 1264948453 /nfs/dbraw/zinc/94/84/53/1264948453.db2.gz ZBLPAAKXTPKRES-YIDVYQOGSA-N 1 1 364.446 0.537 10 5 FCBEMO O=C(CCCC[NH+]1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001526180335 1266789145 /nfs/dbraw/zinc/78/91/45/1266789145.db2.gz UJXDCKGDISXJPD-GAGVYUBLSA-N 1 1 364.446 0.491 10 5 FCBEMO COCC(COC)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC001528440830 1266971899 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MKCCUMQQUSXRSK-OCCSQVGLSA-N 1 1 360.436 0.441 10 5 FCBEMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000367822743 216167180 /nfs/dbraw/zinc/16/71/80/216167180.db2.gz MKCCUMQQUSXRSK-OCCSQVGLSA-N 1 1 360.436 0.441 10 5 FCBEMO Cc1nc(C[C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000246622760 209393336 /nfs/dbraw/zinc/39/33/36/209393336.db2.gz ADERKISSPOVMFV-TZMCWYRMSA-N 1 1 350.379 0.798 10 5 FCBEMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245444718 209366772 /nfs/dbraw/zinc/36/67/72/209366772.db2.gz JUYTXHLZHJGNCI-HOTGVXAUSA-N 1 1 359.386 0.890 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000246318702 209383861 /nfs/dbraw/zinc/38/38/61/209383861.db2.gz CWWHFLHVQGMVPZ-KYJSFNMBSA-N 1 1 365.430 0.987 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000277664728 212386798 /nfs/dbraw/zinc/38/67/98/212386798.db2.gz WWYVDZGZLBXQGE-UHFFFAOYSA-N 1 1 364.402 0.840 10 5 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0.540 10 5 FCBEMO COc1ccc(NC(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426473849 489569242 /nfs/dbraw/zinc/56/92/42/489569242.db2.gz YLYBQEHIJYCXMF-LBPRGKRZSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426488613 489570897 /nfs/dbraw/zinc/57/08/97/489570897.db2.gz WDLYANNQRGMUOR-LBPRGKRZSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426488613 489570898 /nfs/dbraw/zinc/57/08/98/489570898.db2.gz WDLYANNQRGMUOR-LBPRGKRZSA-N 1 1 352.391 0.540 10 5 FCBEMO COC(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000416301938 489580475 /nfs/dbraw/zinc/58/04/75/489580475.db2.gz VYNGOJFYPNKAAF-VXGBXAGGSA-N 1 1 365.386 0.909 10 5 FCBEMO COC(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000416301938 489580477 /nfs/dbraw/zinc/58/04/77/489580477.db2.gz VYNGOJFYPNKAAF-VXGBXAGGSA-N 1 1 365.386 0.909 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457098385 489634997 /nfs/dbraw/zinc/63/49/97/489634997.db2.gz LODZMVSLVRFARQ-CYBMUJFWSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457098385 489634999 /nfs/dbraw/zinc/63/49/99/489634999.db2.gz LODZMVSLVRFARQ-CYBMUJFWSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457141259 489638333 /nfs/dbraw/zinc/63/83/33/489638333.db2.gz XXRBSVFEXBTXEV-CYBMUJFWSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457141259 489638335 /nfs/dbraw/zinc/63/83/35/489638335.db2.gz XXRBSVFEXBTXEV-CYBMUJFWSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428156867 489640220 /nfs/dbraw/zinc/64/02/20/489640220.db2.gz NZHMJKZKIBDQCU-CHWSQXEVSA-N 1 1 364.402 0.238 10 5 FCBEMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428156867 489640222 /nfs/dbraw/zinc/64/02/22/489640222.db2.gz NZHMJKZKIBDQCU-CHWSQXEVSA-N 1 1 364.402 0.238 10 5 FCBEMO COC(=O)c1cc(C)nc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000418994273 489812225 /nfs/dbraw/zinc/81/22/25/489812225.db2.gz HXGRCSFQNIELOM-NWDGAFQWSA-N 1 1 352.391 0.976 10 5 FCBEMO COC(=O)c1cc(C)nc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000418994273 489812230 /nfs/dbraw/zinc/81/22/30/489812230.db2.gz HXGRCSFQNIELOM-NWDGAFQWSA-N 1 1 352.391 0.976 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419002031 489814533 /nfs/dbraw/zinc/81/45/33/489814533.db2.gz LXVRVOQQTWKAKI-NWDGAFQWSA-N 1 1 372.447 0.394 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419002031 489814535 /nfs/dbraw/zinc/81/45/35/489814535.db2.gz LXVRVOQQTWKAKI-NWDGAFQWSA-N 1 1 372.447 0.394 10 5 FCBEMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000447812851 490277687 /nfs/dbraw/zinc/27/76/87/490277687.db2.gz OJKMMQGBLFUHJP-MRXNPFEDSA-N 1 1 362.430 0.948 10 5 FCBEMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000447812851 490277692 /nfs/dbraw/zinc/27/76/92/490277692.db2.gz OJKMMQGBLFUHJP-MRXNPFEDSA-N 1 1 362.430 0.948 10 5 FCBEMO COC(=O)COc1ccc(CN2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000449786711 490427671 /nfs/dbraw/zinc/42/76/71/490427671.db2.gz PRBXQIWGUCYREN-CYBMUJFWSA-N 1 1 367.402 0.645 10 5 FCBEMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12COC2 ZINC000451140335 490520844 /nfs/dbraw/zinc/52/08/44/490520844.db2.gz UFHMCZTUDWRDQI-CYBMUJFWSA-N 1 1 363.370 0.705 10 5 FCBEMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12COC2 ZINC000451140335 490520847 /nfs/dbraw/zinc/52/08/47/490520847.db2.gz UFHMCZTUDWRDQI-CYBMUJFWSA-N 1 1 363.370 0.705 10 5 FCBEMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000524444151 490539042 /nfs/dbraw/zinc/53/90/42/490539042.db2.gz KRLWWIUDZGDIOI-GFCCVEGCSA-N 1 1 373.431 0.993 10 5 FCBEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000524444151 490539048 /nfs/dbraw/zinc/53/90/48/490539048.db2.gz KRLWWIUDZGDIOI-GFCCVEGCSA-N 1 1 373.431 0.993 10 5 FCBEMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000549816036 490608971 /nfs/dbraw/zinc/60/89/71/490608971.db2.gz ZQFWAIPIVVQNGD-LBPRGKRZSA-N 1 1 354.363 0.364 10 5 FCBEMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000549816036 490608974 /nfs/dbraw/zinc/60/89/74/490608974.db2.gz ZQFWAIPIVVQNGD-LBPRGKRZSA-N 1 1 354.363 0.364 10 5 FCBEMO O=C1C[C@]2(CC[N@@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)CN1 ZINC000574626640 491509187 /nfs/dbraw/zinc/50/91/87/491509187.db2.gz ASVJEGIEHWKJGZ-CXAGYDPISA-N 1 1 358.354 0.439 10 5 FCBEMO O=C1C[C@]2(CC[N@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)CN1 ZINC000574626640 491509191 /nfs/dbraw/zinc/50/91/91/491509191.db2.gz ASVJEGIEHWKJGZ-CXAGYDPISA-N 1 1 358.354 0.439 10 5 FCBEMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000579034555 491689738 /nfs/dbraw/zinc/68/97/38/491689738.db2.gz ZTVZEFXFYZQYRW-GFCCVEGCSA-N 1 1 356.404 0.547 10 5 FCBEMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000590441961 491776674 /nfs/dbraw/zinc/77/66/74/491776674.db2.gz DQJVKOMBHLUWRT-RWMBFGLXSA-N 1 1 362.386 0.955 10 5 FCBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000590442702 491776740 /nfs/dbraw/zinc/77/67/40/491776740.db2.gz ADZXFORLQOPHFK-ZFWWWQNUSA-N 1 1 361.402 0.557 10 5 FCBEMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)C1 ZINC000600539595 491867924 /nfs/dbraw/zinc/86/79/24/491867924.db2.gz BCKROAYGJCQMSL-WMLDXEAASA-N 1 1 365.386 0.820 10 5 FCBEMO CC[N@H+]1CCO[C@H](C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)C1 ZINC000600539595 491867925 /nfs/dbraw/zinc/86/79/25/491867925.db2.gz BCKROAYGJCQMSL-WMLDXEAASA-N 1 1 365.386 0.820 10 5 FCBEMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC(CO)(CO)C1 ZINC000595804661 491954971 /nfs/dbraw/zinc/95/49/71/491954971.db2.gz BIDJDKSSMRZWLV-UHFFFAOYSA-N 1 1 351.359 0.570 10 5 FCBEMO CN(C)CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596076594 491974746 /nfs/dbraw/zinc/97/47/46/491974746.db2.gz NEXRZOPSFUYZQS-UHFFFAOYSA-N 1 1 371.463 0.680 10 5 FCBEMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596165442 491977974 /nfs/dbraw/zinc/97/79/74/491977974.db2.gz KYWVOCJQQJDJKR-SECBINFHSA-N 1 1 363.403 0.783 10 5 FCBEMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596540439 491989358 /nfs/dbraw/zinc/98/93/58/491989358.db2.gz SOZQNIPLAPGMJQ-LBPRGKRZSA-N 1 1 370.431 0.278 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000596539970 491989478 /nfs/dbraw/zinc/98/94/78/491989478.db2.gz SAPRAIAHHDKEBU-LBPRGKRZSA-N 1 1 350.375 0.812 10 5 FCBEMO COC(=O)COc1ccc(C[N@@H+]2CCC(CO)(CO)C2)cc1[N+](=O)[O-] ZINC000597218726 492023383 /nfs/dbraw/zinc/02/33/83/492023383.db2.gz KJCWYJKDFXVYJL-UHFFFAOYSA-N 1 1 354.359 0.323 10 5 FCBEMO COC(=O)COc1ccc(C[N@H+]2CCC(CO)(CO)C2)cc1[N+](=O)[O-] ZINC000597218726 492023385 /nfs/dbraw/zinc/02/33/85/492023385.db2.gz KJCWYJKDFXVYJL-UHFFFAOYSA-N 1 1 354.359 0.323 10 5 FCBEMO CN(C)CC[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603929924 492047448 /nfs/dbraw/zinc/04/74/48/492047448.db2.gz QFCMHJLKMLIAAT-UHFFFAOYSA-N 1 1 371.463 0.680 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000597989984 492076952 /nfs/dbraw/zinc/07/69/52/492076952.db2.gz JAARQQGFULOQON-MRXNPFEDSA-N 1 1 373.413 0.983 10 5 FCBEMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598503349 492102310 /nfs/dbraw/zinc/10/23/10/492102310.db2.gz APHFZLIUKKDLBN-MRXNPFEDSA-N 1 1 372.429 0.724 10 5 FCBEMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598503349 492102311 /nfs/dbraw/zinc/10/23/11/492102311.db2.gz APHFZLIUKKDLBN-MRXNPFEDSA-N 1 1 372.429 0.724 10 5 FCBEMO C[C@]1(F)C[NH2+]CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664335 492112469 /nfs/dbraw/zinc/11/24/69/492112469.db2.gz FEXMNEDDHCAFIB-HNNXBMFYSA-N 1 1 353.354 0.876 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000599094862 492135016 /nfs/dbraw/zinc/13/50/16/492135016.db2.gz ZODRSAHVIUWUQL-UHFFFAOYSA-N 1 1 360.411 0.985 10 5 FCBEMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000609091863 492197304 /nfs/dbraw/zinc/19/73/04/492197304.db2.gz ZRKUYNNJQZQPSP-CYBMUJFWSA-N 1 1 373.431 0.993 10 5 FCBEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000609091863 492197306 /nfs/dbraw/zinc/19/73/06/492197306.db2.gz ZRKUYNNJQZQPSP-CYBMUJFWSA-N 1 1 373.431 0.993 10 5 FCBEMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000599666584 492198162 /nfs/dbraw/zinc/19/81/62/492198162.db2.gz YIKQYVOGHVUNHN-GFCCVEGCSA-N 1 1 350.375 0.808 10 5 FCBEMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000599666584 492198165 /nfs/dbraw/zinc/19/81/65/492198165.db2.gz YIKQYVOGHVUNHN-GFCCVEGCSA-N 1 1 350.375 0.808 10 5 FCBEMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609813152 492223213 /nfs/dbraw/zinc/22/32/13/492223213.db2.gz YUWUABBCKIVMSC-AWEZNQCLSA-N 1 1 350.375 0.760 10 5 FCBEMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619481606 492264804 /nfs/dbraw/zinc/26/48/04/492264804.db2.gz KUYKFFGJCDUAPC-LBPRGKRZSA-N 1 1 373.431 0.993 10 5 FCBEMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619481606 492264805 /nfs/dbraw/zinc/26/48/05/492264805.db2.gz KUYKFFGJCDUAPC-LBPRGKRZSA-N 1 1 373.431 0.993 10 5 FCBEMO O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007785 666572617 /nfs/dbraw/zinc/57/26/17/666572617.db2.gz TXQMDEBLZUIWSH-HUUCEWRRSA-N 1 1 352.435 0.589 10 5 FCBEMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853965285 671562172 /nfs/dbraw/zinc/56/21/72/671562172.db2.gz GKSBZHJKLRBDPQ-ZDUSSCGKSA-N 1 1 370.431 0.278 10 5 FCBEMO CCc1noc(C[C@@]2(O)CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000856675085 671694621 /nfs/dbraw/zinc/69/46/21/671694621.db2.gz SJEXEVCGTGOJKF-HNNXBMFYSA-N 1 1 350.379 0.806 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000858985666 671787366 /nfs/dbraw/zinc/78/73/66/671787366.db2.gz LCZQRCGQAYJOEP-GFCCVEGCSA-N 1 1 373.435 0.250 10 5 FCBEMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860194586 671875154 /nfs/dbraw/zinc/87/51/54/671875154.db2.gz UIQKGPXSIOWXHM-WFASDCNBSA-N 1 1 357.432 0.889 10 5 FCBEMO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594386116 1196718752 /nfs/dbraw/zinc/71/87/52/1196718752.db2.gz LHXKJPDDGXTWKO-UONOGXRCSA-N 1 1 357.370 0.876 10 5 FCBEMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000816948888 1203083988 /nfs/dbraw/zinc/08/39/88/1203083988.db2.gz JIRGHOUIIZSWMG-FZMZJTMJSA-N 1 1 363.370 0.957 10 5 FCBEMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854354025 1209623774 /nfs/dbraw/zinc/62/37/74/1209623774.db2.gz KRLXHQXXPGHKIS-ZDUSSCGKSA-N 1 1 363.374 0.931 10 5 FCBEMO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001117564470 1221572234 /nfs/dbraw/zinc/57/22/34/1221572234.db2.gz LWMFSJTYMIEMCS-UHFFFAOYSA-N 1 1 361.362 0.037 10 5 FCBEMO CN(C)c1cc(F)c(C(=O)N2CCN(C3C[NH+](C)C3)CC2)cc1[N+](=O)[O-] ZINC001124019928 1222375759 /nfs/dbraw/zinc/37/57/59/1222375759.db2.gz FMMHHFJISZBSTI-UHFFFAOYSA-N 1 1 365.409 0.872 10 5 FCBEMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307626 1245366047 /nfs/dbraw/zinc/36/60/47/1245366047.db2.gz YTPLNKBSPTYQIS-WDEREUQCSA-N 1 1 366.349 0.583 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCc2ccccc2F)CC1 ZINC001328166870 1265496372 /nfs/dbraw/zinc/49/63/72/1265496372.db2.gz NGMCDKMOQUJFPB-GDBMZVCRSA-N 1 1 365.405 0.977 10 5 FCBEMO COC(=O)c1cc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC001522087744 1266335829 /nfs/dbraw/zinc/33/58/29/1266335829.db2.gz ZPMDOOAMVPONBZ-UHFFFAOYSA-N 1 1 362.386 0.453 10 5 FCBEMO CN(CCC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280813173 1261074701 /nfs/dbraw/zinc/07/47/01/1261074701.db2.gz BVICNOPXXGGKCV-VXGBXAGGSA-N 1 1 371.438 0.056 10 5 FCBEMO NS(=O)(=O)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473850958 1261502085 /nfs/dbraw/zinc/50/20/85/1261502085.db2.gz VTZCOMHHYLTZHD-JTQLQIEISA-N 1 1 374.394 0.673 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001299281818 1262964001 /nfs/dbraw/zinc/96/40/01/1262964001.db2.gz SXYRFGSIYMMJGN-GFCCVEGCSA-N 1 1 360.374 0.314 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001299281818 1262964003 /nfs/dbraw/zinc/96/40/03/1262964003.db2.gz SXYRFGSIYMMJGN-GFCCVEGCSA-N 1 1 360.374 0.314 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2cccc(Cl)n2)CC1 ZINC001484953112 1263493848 /nfs/dbraw/zinc/49/38/48/1263493848.db2.gz PCCWCARZRZIOGU-CHWSQXEVSA-N 1 1 368.821 0.843 10 5 FCBEMO CNC(=O)c1ccc(C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cc1 ZINC001317552582 1263517027 /nfs/dbraw/zinc/51/70/27/1263517027.db2.gz LCVUQFZUTXVCLW-HZPDHXFCSA-N 1 1 360.414 0.792 10 5 FCBEMO CNC(=O)c1ccc(C[N@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC001317552582 1263517031 /nfs/dbraw/zinc/51/70/31/1263517031.db2.gz LCVUQFZUTXVCLW-HZPDHXFCSA-N 1 1 360.414 0.792 10 5 FCBEMO CNC(=O)c1ccc(C[N@@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC001317552582 1263517038 /nfs/dbraw/zinc/51/70/38/1263517038.db2.gz LCVUQFZUTXVCLW-HZPDHXFCSA-N 1 1 360.414 0.792 10 5 FCBEMO CN(CCC[NH2+]Cc1nnc(C2CCC2)n1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001498545568 1263975507 /nfs/dbraw/zinc/97/55/07/1263975507.db2.gz JEVDMLDVPKFYMG-CHWSQXEVSA-N 1 1 350.423 0.686 10 5 FCBEMO C[NH+](C)CCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001509796899 1264469168 /nfs/dbraw/zinc/46/91/68/1264469168.db2.gz SCQLHGUEBCGTJD-KFZJALRRSA-N 1 1 352.435 0.300 10 5 FCBEMO C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001512310548 1264616525 /nfs/dbraw/zinc/61/65/25/1264616525.db2.gz QAJHALZJSFBGEE-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001524611766 1266718916 /nfs/dbraw/zinc/71/89/16/1266718916.db2.gz PSJDOOOTCPAXFM-QKPAOTATSA-N 1 1 364.446 0.729 10 5 FCBEMO C[NH+](C)C1(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)CCC1 ZINC001532385463 1267169305 /nfs/dbraw/zinc/16/93/05/1267169305.db2.gz REBITZMKLHPGDE-CHWSQXEVSA-N 1 1 352.435 0.681 10 5 FCBEMO CC(C)[NH+]1CCC(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001533490929 1267220261 /nfs/dbraw/zinc/22/02/61/1267220261.db2.gz DWZNVOOQEQGPHV-LPUOJRKPSA-N 1 1 352.435 0.561 10 5 FCBEMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2C1 ZINC001538046035 1267390111 /nfs/dbraw/zinc/39/01/11/1267390111.db2.gz GMBFGXFPMCVDJG-VQISRLSMSA-N 1 1 372.381 0.647 10 5 FCBEMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198653 1269054877 /nfs/dbraw/zinc/05/48/77/1269054877.db2.gz WJGTVZWVKADCIW-HUUCEWRRSA-N 1 1 357.374 0.879 10 5 FCBEMO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2C(=O)OC)c([N+](=O)[O-])c1 ZINC001559984635 1269182558 /nfs/dbraw/zinc/18/25/58/1269182558.db2.gz LLPOLOJIMRBIPK-SWLSCSKDSA-N 1 1 367.358 0.852 10 5 FCBEMO NC(=O)[C@@H]1C[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC001559996660 1269183058 /nfs/dbraw/zinc/18/30/58/1269183058.db2.gz CQBZGZQSDCOKRK-RKDXNWHRSA-N 1 1 371.191 0.376 10 5 FCBEMO COC(=O)[C@@]1(O)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001560098940 1269186887 /nfs/dbraw/zinc/18/68/87/1269186887.db2.gz WUYDJWJBZGUUQO-MRXNPFEDSA-N 1 1 367.358 0.542 10 5 FCBEMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001566320991 1269632655 /nfs/dbraw/zinc/63/26/55/1269632655.db2.gz DZRGSWYNUGULRL-GFCCVEGCSA-N 1 1 353.379 0.183 10 5 FCBEMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001566320991 1269632662 /nfs/dbraw/zinc/63/26/62/1269632662.db2.gz DZRGSWYNUGULRL-GFCCVEGCSA-N 1 1 353.379 0.183 10 5 FCBEMO Cc1ncsc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001570301154 1269866990 /nfs/dbraw/zinc/86/69/90/1269866990.db2.gz LTWLMLGAGDVLEZ-VXGBXAGGSA-N 1 1 354.432 0.872 10 5 FCBEMO CN(CC[NH2+]CC(=O)N1CCc2sccc2C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591664 1287287158 /nfs/dbraw/zinc/28/71/58/1287287158.db2.gz UFUILKRFFGRSKV-CHWSQXEVSA-N 1 1 366.443 0.346 10 5 FCBEMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001718237262 1287486785 /nfs/dbraw/zinc/48/67/85/1287486785.db2.gz VCGASJJPKYRAFI-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CC[N@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001718237262 1287486790 /nfs/dbraw/zinc/48/67/90/1287486790.db2.gz VCGASJJPKYRAFI-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001718237262 1287486794 /nfs/dbraw/zinc/48/67/94/1287486794.db2.gz VCGASJJPKYRAFI-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001718369364 1287497146 /nfs/dbraw/zinc/49/71/46/1287497146.db2.gz WUJFOSPZEUOVMQ-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CCC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001718369364 1287497150 /nfs/dbraw/zinc/49/71/50/1287497150.db2.gz WUJFOSPZEUOVMQ-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001718369364 1287497158 /nfs/dbraw/zinc/49/71/58/1287497158.db2.gz WUJFOSPZEUOVMQ-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO COCC[NH+](CCOC)C1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC001583373456 1282085343 /nfs/dbraw/zinc/08/53/43/1282085343.db2.gz NDZQACKHJBVLKL-UHFFFAOYSA-N 1 1 370.381 0.735 10 5 FCBEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001632434982 1282176067 /nfs/dbraw/zinc/17/60/67/1282176067.db2.gz FOIPCHDPNMXUCW-SNVBAGLBSA-N 1 1 358.420 0.702 10 5 FCBEMO CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001585463682 1282228841 /nfs/dbraw/zinc/22/88/41/1282228841.db2.gz VBTRZXVBUJJNQI-HUUCEWRRSA-N 1 1 366.462 0.833 10 5 FCBEMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403851 1282244024 /nfs/dbraw/zinc/24/40/24/1282244024.db2.gz NJXJXYGRPHPFPR-CZUORRHYSA-N 1 1 350.419 0.770 10 5 FCBEMO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC001585998667 1282265223 /nfs/dbraw/zinc/26/52/23/1282265223.db2.gz GUWFZFXKCCVZQQ-GFCCVEGCSA-N 1 1 370.431 0.426 10 5 FCBEMO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001585998667 1282265232 /nfs/dbraw/zinc/26/52/32/1282265232.db2.gz GUWFZFXKCCVZQQ-GFCCVEGCSA-N 1 1 370.431 0.426 10 5 FCBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001635746006 1282429794 /nfs/dbraw/zinc/42/97/94/1282429794.db2.gz LLXVZVQOXPSIFX-WMLDXEAASA-N 1 1 351.403 0.631 10 5 FCBEMO C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](CO)C1 ZINC001641533419 1282960069 /nfs/dbraw/zinc/96/00/69/1282960069.db2.gz FFZGLTPPWUODPV-ZDUSSCGKSA-N 1 1 352.347 0.571 10 5 FCBEMO C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](CO)C1 ZINC001641533419 1282960082 /nfs/dbraw/zinc/96/00/82/1282960082.db2.gz FFZGLTPPWUODPV-ZDUSSCGKSA-N 1 1 352.347 0.571 10 5 FCBEMO CCc1[nH+]ccn1CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001595406825 1286246525 /nfs/dbraw/zinc/24/65/25/1286246525.db2.gz NUMDTBWENRRSGI-UHFFFAOYSA-N 1 1 371.353 0.766 10 5 FCBEMO CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC001597658697 1286354715 /nfs/dbraw/zinc/35/47/15/1286354715.db2.gz POOCETGNNFVUBT-UHFFFAOYSA-N 1 1 351.363 0.822 10 5 FCBEMO CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC001597658697 1286354720 /nfs/dbraw/zinc/35/47/20/1286354720.db2.gz POOCETGNNFVUBT-UHFFFAOYSA-N 1 1 351.363 0.822 10 5 FCBEMO CC(C)[NH+]1CCC(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001720479731 1288233561 /nfs/dbraw/zinc/23/35/61/1288233561.db2.gz CVGVLWNNEHOFNG-HUUCEWRRSA-N 1 1 354.451 0.737 10 5 FCBEMO CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001721209483 1288311746 /nfs/dbraw/zinc/31/17/46/1288311746.db2.gz WCOJLZBAWLULOD-ZIAGYGMSSA-N 1 1 354.451 0.881 10 5 FCBEMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001721565766 1288351501 /nfs/dbraw/zinc/35/15/01/1288351501.db2.gz DRKHWXZPDPERHF-HZPDHXFCSA-N 1 1 362.430 0.924 10 5 FCBEMO CC(C)[N@H+](C)CC(=O)NCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001721565766 1288351506 /nfs/dbraw/zinc/35/15/06/1288351506.db2.gz DRKHWXZPDPERHF-HZPDHXFCSA-N 1 1 362.430 0.924 10 5 FCBEMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001721565766 1288351512 /nfs/dbraw/zinc/35/15/12/1288351512.db2.gz DRKHWXZPDPERHF-HZPDHXFCSA-N 1 1 362.430 0.924 10 5 FCBEMO CS(=O)(=O)c1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001723514800 1288424382 /nfs/dbraw/zinc/42/43/82/1288424382.db2.gz LHFPOLZXTKZIMW-ZIAGYGMSSA-N 1 1 367.427 0.494 10 5 FCBEMO CCn1nnc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001724356803 1288437031 /nfs/dbraw/zinc/43/70/31/1288437031.db2.gz VNNWSKBOQNUYIS-CHWSQXEVSA-N 1 1 366.422 0.027 10 5 FCBEMO CC(C)NC(=O)NCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700692907 1289601048 /nfs/dbraw/zinc/60/10/48/1289601048.db2.gz TYVKQSMMQFTJOX-ZIAGYGMSSA-N 1 1 355.439 0.282 10 5 FCBEMO CC(C)NC(=O)NCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001700692907 1289601061 /nfs/dbraw/zinc/60/10/61/1289601061.db2.gz TYVKQSMMQFTJOX-ZIAGYGMSSA-N 1 1 355.439 0.282 10 5 FCBEMO CC(C)NC(=O)NCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001700692907 1289601073 /nfs/dbraw/zinc/60/10/73/1289601073.db2.gz TYVKQSMMQFTJOX-ZIAGYGMSSA-N 1 1 355.439 0.282 10 5 FCBEMO COc1c(C)[nH]cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O ZINC001620471178 1289989879 /nfs/dbraw/zinc/98/98/79/1289989879.db2.gz IOXMIYWKDZJPTH-CYBMUJFWSA-N 1 1 351.363 0.290 10 5 FCBEMO O=C(C[NH2+][C@@H]1C(=O)NCC12CCOCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001620616660 1290007252 /nfs/dbraw/zinc/00/72/52/1290007252.db2.gz HQRPFZPGYVCXQB-MRXNPFEDSA-N 1 1 374.397 0.369 10 5 FCBEMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001624025490 1290246562 /nfs/dbraw/zinc/24/65/62/1290246562.db2.gz LUWLNCKPYOBVII-UHFFFAOYSA-N 1 1 369.809 0.771 10 5 FCBEMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001627485985 1290466237 /nfs/dbraw/zinc/46/62/37/1290466237.db2.gz ZHZCVYWBLIAMPJ-SECBINFHSA-N 1 1 370.797 0.526 10 5 FCBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001627692049 1290477045 /nfs/dbraw/zinc/47/70/45/1290477045.db2.gz DYBLZPUJJUCKNJ-OAHLLOKOSA-N 1 1 363.418 0.971 10 5 FCBEMO Cc1c(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001758402209 1290833426 /nfs/dbraw/zinc/83/34/26/1290833426.db2.gz WVMFOMHKVQJCNP-HUUCEWRRSA-N 1 1 359.386 0.886 10 5 FCBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001643422679 1290887009 /nfs/dbraw/zinc/88/70/09/1290887009.db2.gz PNOBISIHQYZIPJ-GASCZTMLSA-N 1 1 361.402 0.699 10 5 FCBEMO NC(=O)c1cc([N+](=O)[O-])cn(Cc2cccc(C[NH+]3CCOCC3)c2)c1=O ZINC001643621729 1290908390 /nfs/dbraw/zinc/90/83/90/1290908390.db2.gz NSXPGTQCMRTZLF-UHFFFAOYSA-N 1 1 372.381 0.736 10 5 FCBEMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC001648500879 1291127064 /nfs/dbraw/zinc/12/70/64/1291127064.db2.gz UVUOZKWYFVATCS-LBPRGKRZSA-N 1 1 370.431 0.842 10 5 FCBEMO NS(=O)(=O)c1cccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001651494969 1291224612 /nfs/dbraw/zinc/22/46/12/1291224612.db2.gz HJVZEVACPZSGAT-RYUDHWBXSA-N 1 1 370.431 0.278 10 5 FCBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761313 1291297513 /nfs/dbraw/zinc/29/75/13/1291297513.db2.gz WEDDHYCEOSQTGQ-OCCSQVGLSA-N 1 1 352.391 0.378 10 5 FCBEMO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654504376 1291415261 /nfs/dbraw/zinc/41/52/61/1291415261.db2.gz XVOREMIRFMFIBM-QGZVFWFLSA-N 1 1 361.402 0.784 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001654975465 1291448024 /nfs/dbraw/zinc/44/80/24/1291448024.db2.gz SJWZMGBZLLALGQ-LLVKDONJSA-N 1 1 356.404 0.534 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC001659506883 1291640525 /nfs/dbraw/zinc/64/05/25/1291640525.db2.gz LQTGEKOUWKZYST-BDJLRTHQSA-N 1 1 353.375 0.750 10 5 FCBEMO CN1C(=O)CCc2cc(C[N@@H+](C)CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC001663179902 1291747937 /nfs/dbraw/zinc/74/79/37/1291747937.db2.gz GELLUCUFFNSYBM-GDBMZVCRSA-N 1 1 360.414 0.809 10 5 FCBEMO CN1C(=O)CCc2cc(C[N@H+](C)CCNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC001663179902 1291747943 /nfs/dbraw/zinc/74/79/43/1291747943.db2.gz GELLUCUFFNSYBM-GDBMZVCRSA-N 1 1 360.414 0.809 10 5 FCBEMO CN1C(=O)CCc2cc(C[N@@H+](C)CCNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC001663179902 1291747947 /nfs/dbraw/zinc/74/79/47/1291747947.db2.gz GELLUCUFFNSYBM-GDBMZVCRSA-N 1 1 360.414 0.809 10 5 FCBEMO 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/nfs/dbraw/zinc/79/14/81/863791481.db2.gz MFOARVLTGULDEO-HUUCEWRRSA-N 1 1 352.435 0.491 10 5 FCBEMO C[NH+](C)C1(C(=O)NCCC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001288770267 864803755 /nfs/dbraw/zinc/80/37/55/864803755.db2.gz KZHYPMCHSRTVEX-CHWSQXEVSA-N 1 1 352.435 0.539 10 5 FCBEMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC[NH+](C(C)C)CC1 ZINC001296300208 865954410 /nfs/dbraw/zinc/95/44/10/865954410.db2.gz AMNPTBJCLUHBBY-HUUCEWRRSA-N 1 1 354.451 0.737 10 5 FCBEMO CC[N@@H+](C)CCC(=O)N1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001297618955 866045653 /nfs/dbraw/zinc/04/56/53/866045653.db2.gz FGVISODHYDTTCS-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO CC[N@H+](C)CCC(=O)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001297618955 866045665 /nfs/dbraw/zinc/04/56/65/866045665.db2.gz FGVISODHYDTTCS-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO CC[N@@H+](C)CCC(=O)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001297618955 866045680 /nfs/dbraw/zinc/04/56/80/866045680.db2.gz 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/nfs/dbraw/zinc/51/46/36/489514636.db2.gz BVDQQJUGXCFOSK-HNNXBMFYSA-N 1 1 357.432 0.861 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426485652 489569636 /nfs/dbraw/zinc/56/96/36/489569636.db2.gz OOBKQOIPQRMGIZ-ZDUSSCGKSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000426485652 489569639 /nfs/dbraw/zinc/56/96/39/489569639.db2.gz OOBKQOIPQRMGIZ-ZDUSSCGKSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000426485652 489569643 /nfs/dbraw/zinc/56/96/43/489569643.db2.gz OOBKQOIPQRMGIZ-ZDUSSCGKSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1cc(OCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416301564 489580761 /nfs/dbraw/zinc/58/07/61/489580761.db2.gz VNFJIIPXSQMIKS-CHWSQXEVSA-N 1 1 367.402 0.896 10 5 FCBEMO COc1cc(OCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416301564 489580763 /nfs/dbraw/zinc/58/07/63/489580763.db2.gz VNFJIIPXSQMIKS-CHWSQXEVSA-N 1 1 367.402 0.896 10 5 FCBEMO COC(=O)[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000416584151 489614632 /nfs/dbraw/zinc/61/46/32/489614632.db2.gz MIBBANHSEHMUIJ-CYBMUJFWSA-N 1 1 371.415 0.461 10 5 FCBEMO COC(=O)[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000416584151 489614633 /nfs/dbraw/zinc/61/46/33/489614633.db2.gz MIBBANHSEHMUIJ-CYBMUJFWSA-N 1 1 371.415 0.461 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459639698 489743376 /nfs/dbraw/zinc/74/33/76/489743376.db2.gz DKIOBDRQHSGQHK-INIZCTEOSA-N 1 1 353.375 0.751 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459653259 489747039 /nfs/dbraw/zinc/74/70/39/489747039.db2.gz XPMDKLHWNFVSBI-INIZCTEOSA-N 1 1 353.375 0.751 10 5 FCBEMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000418994272 489812625 /nfs/dbraw/zinc/81/26/25/489812625.db2.gz HXGRCSFQNIELOM-NEPJUHHUSA-N 1 1 352.391 0.976 10 5 FCBEMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000418994272 489812628 /nfs/dbraw/zinc/81/26/28/489812628.db2.gz HXGRCSFQNIELOM-NEPJUHHUSA-N 1 1 352.391 0.976 10 5 FCBEMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533409231 490229553 /nfs/dbraw/zinc/22/95/53/490229553.db2.gz MULOBBVXXGAAJJ-UWVGGRQHSA-N 1 1 364.358 0.848 10 5 FCBEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533409231 490229558 /nfs/dbraw/zinc/22/95/58/490229558.db2.gz MULOBBVXXGAAJJ-UWVGGRQHSA-N 1 1 364.358 0.848 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000451151634 490521352 /nfs/dbraw/zinc/52/13/52/490521352.db2.gz XINYKZFOABQBJW-HOCLYGCPSA-N 1 1 364.402 0.947 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000451151634 490521359 /nfs/dbraw/zinc/52/13/59/490521359.db2.gz XINYKZFOABQBJW-HOCLYGCPSA-N 1 1 364.402 0.947 10 5 FCBEMO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000524892134 490567080 /nfs/dbraw/zinc/56/70/80/490567080.db2.gz GANHMWRIGQKGCU-GXTWGEPZSA-N 1 1 358.416 0.701 10 5 FCBEMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000524892134 490567083 /nfs/dbraw/zinc/56/70/83/490567083.db2.gz GANHMWRIGQKGCU-GXTWGEPZSA-N 1 1 358.416 0.701 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cnc[nH]3)CC2)cc1 ZINC000505893081 490843576 /nfs/dbraw/zinc/84/35/76/490843576.db2.gz ACHIPYDMFHGXBO-UHFFFAOYSA-N 1 1 351.388 0.824 10 5 FCBEMO CN1CCN(C[C@@H](O)C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000516175468 490854528 /nfs/dbraw/zinc/85/45/28/490854528.db2.gz AUVYQRKWCOJRIL-INIZCTEOSA-N 1 1 361.446 0.817 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000589510697 491763349 /nfs/dbraw/zinc/76/33/49/491763349.db2.gz IBDMDQGQFJFUAZ-UHFFFAOYSA-N 1 1 362.342 0.555 10 5 FCBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000590445053 491777085 /nfs/dbraw/zinc/77/70/85/491777085.db2.gz PXDQOUJUXODDOP-JQWIXIFHSA-N 1 1 354.388 0.018 10 5 FCBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000590445987 491777090 /nfs/dbraw/zinc/77/70/90/491777090.db2.gz QGXMKEKBKIMCOA-GWCFXTLKSA-N 1 1 358.354 0.353 10 5 FCBEMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000590539348 491778262 /nfs/dbraw/zinc/77/82/62/491778262.db2.gz RVSUKXFGDCUUKZ-HUUCEWRRSA-N 1 1 364.377 0.969 10 5 FCBEMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000590759007 491785550 /nfs/dbraw/zinc/78/55/50/491785550.db2.gz BYRXLYLNKAIHHG-LBPRGKRZSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000590759007 491785552 /nfs/dbraw/zinc/78/55/52/491785552.db2.gz BYRXLYLNKAIHHG-LBPRGKRZSA-N 1 1 373.431 0.729 10 5 FCBEMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000592388804 491836439 /nfs/dbraw/zinc/83/64/39/491836439.db2.gz OORPVTTWJBNWNA-LLVKDONJSA-N 1 1 373.387 0.129 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(CO)(CO)C1 ZINC000595802064 491954414 /nfs/dbraw/zinc/95/44/14/491954414.db2.gz YORPXWCNWVGGHJ-UHFFFAOYSA-N 1 1 353.375 0.609 10 5 FCBEMO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000597990737 492076912 /nfs/dbraw/zinc/07/69/12/492076912.db2.gz NDMKJVAICDPRJI-HNNXBMFYSA-N 1 1 359.386 0.674 10 5 FCBEMO Nc1nccc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1[N+](=O)[O-] ZINC000598366825 492096436 /nfs/dbraw/zinc/09/64/36/492096436.db2.gz DWRAYVGIAJCIND-CHWSQXEVSA-N 1 1 361.402 0.945 10 5 FCBEMO CC(C)(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000598452301 492099251 /nfs/dbraw/zinc/09/92/51/492099251.db2.gz JBGRGMAIMNQBNE-AWEZNQCLSA-N 1 1 351.407 0.584 10 5 FCBEMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598501317 492101697 /nfs/dbraw/zinc/10/16/97/492101697.db2.gz DLNURMKBQOWYMK-AWEZNQCLSA-N 1 1 358.402 0.864 10 5 FCBEMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598501317 492101698 /nfs/dbraw/zinc/10/16/98/492101698.db2.gz DLNURMKBQOWYMK-AWEZNQCLSA-N 1 1 358.402 0.864 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)n1 ZINC000599098347 492135373 /nfs/dbraw/zinc/13/53/73/492135373.db2.gz SGKJRQGWELOIKQ-UHFFFAOYSA-N 1 1 354.392 0.182 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000599266807 492151736 /nfs/dbraw/zinc/15/17/36/492151736.db2.gz MIVIEVBCWROCCK-DGCLKSJQSA-N 1 1 369.447 0.966 10 5 FCBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000608861379 492194506 /nfs/dbraw/zinc/19/45/06/492194506.db2.gz QMPUODCSOAAUTK-OAHLLOKOSA-N 1 1 361.402 0.853 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599663937 492197532 /nfs/dbraw/zinc/19/75/32/492197532.db2.gz IVGSEUYJCGMHGZ-CYBMUJFWSA-N 1 1 350.375 0.808 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599663937 492197533 /nfs/dbraw/zinc/19/75/33/492197533.db2.gz IVGSEUYJCGMHGZ-CYBMUJFWSA-N 1 1 350.375 0.808 10 5 FCBEMO COc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c([N+](=O)[O-])cc1OC ZINC000619873511 492280600 /nfs/dbraw/zinc/28/06/00/492280600.db2.gz JVMANBRSVCIYJU-GFCCVEGCSA-N 1 1 364.402 0.732 10 5 FCBEMO Cc1nn(CCC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(C)c1[N+](=O)[O-] ZINC000619873570 492280661 /nfs/dbraw/zinc/28/06/61/492280661.db2.gz OISDNGRPCHSIFL-CQSZACIVSA-N 1 1 350.423 0.304 10 5 FCBEMO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611335200 492285860 /nfs/dbraw/zinc/28/58/60/492285860.db2.gz WGJXMMXWPQMZAN-CYBMUJFWSA-N 1 1 350.423 0.569 10 5 FCBEMO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000611335200 492285861 /nfs/dbraw/zinc/28/58/61/492285861.db2.gz WGJXMMXWPQMZAN-CYBMUJFWSA-N 1 1 350.423 0.569 10 5 FCBEMO COc1cc(OCC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594393447 546998126 /nfs/dbraw/zinc/99/81/26/546998126.db2.gz NCARWQWWAYAGEC-NWDGAFQWSA-N 1 1 351.359 0.260 10 5 FCBEMO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594761351 547005882 /nfs/dbraw/zinc/00/58/82/547005882.db2.gz XCUXAWRPQVIMMB-CYBMUJFWSA-N 1 1 371.463 0.542 10 5 FCBEMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778254 547009346 /nfs/dbraw/zinc/00/93/46/547009346.db2.gz FWLMZSSKBKFYTE-UHFFFAOYSA-N 1 1 359.452 0.494 10 5 FCBEMO CN(CCCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-])CC[NH+](C)C ZINC000594778254 547009351 /nfs/dbraw/zinc/00/93/51/547009351.db2.gz FWLMZSSKBKFYTE-UHFFFAOYSA-N 1 1 359.452 0.494 10 5 FCBEMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000851852347 671473941 /nfs/dbraw/zinc/47/39/41/671473941.db2.gz MMCLEQGZWDLHOH-GFCCVEGCSA-N 1 1 373.406 0.954 10 5 FCBEMO Cc1ncsc1CN1CCN(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001481468279 1186092332 /nfs/dbraw/zinc/09/23/32/1186092332.db2.gz KWWOKRCAINHBDD-ZIAGYGMSSA-N 1 1 367.475 0.693 10 5 FCBEMO NC(=O)c1cccc(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)c1 ZINC001269545446 1187856093 /nfs/dbraw/zinc/85/60/93/1187856093.db2.gz PZISGCTYZMDASI-HUUCEWRRSA-N 1 1 360.414 0.969 10 5 FCBEMO CC(C)N(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001270328496 1188096172 /nfs/dbraw/zinc/09/61/72/1188096172.db2.gz DKBVGXVKISDYCJ-HUUCEWRRSA-N 1 1 366.462 0.833 10 5 FCBEMO CC(C)N(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001270328496 1188096176 /nfs/dbraw/zinc/09/61/76/1188096176.db2.gz DKBVGXVKISDYCJ-HUUCEWRRSA-N 1 1 366.462 0.833 10 5 FCBEMO CC(C)N(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001270328496 1188096179 /nfs/dbraw/zinc/09/61/79/1188096179.db2.gz DKBVGXVKISDYCJ-HUUCEWRRSA-N 1 1 366.462 0.833 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000553147637 1193975611 /nfs/dbraw/zinc/97/56/11/1193975611.db2.gz JXIMYMZKTUPQNC-UHFFFAOYSA-N 1 1 365.390 0.377 10 5 FCBEMO C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809656 1199093726 /nfs/dbraw/zinc/09/37/26/1199093726.db2.gz BMMCGSACTYKNLO-LSDHHAIUSA-N 1 1 362.430 0.946 10 5 FCBEMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000854354976 1209623360 /nfs/dbraw/zinc/62/33/60/1209623360.db2.gz WHWASYVYFKCCHC-OAHLLOKOSA-N 1 1 358.402 0.451 10 5 FCBEMO O=C(NC/C=C/C[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001274017727 1210861617 /nfs/dbraw/zinc/86/16/17/1210861617.db2.gz VOFRJCGBLOCYON-YMBFEGSUSA-N 1 1 371.397 0.324 10 5 FCBEMO Cc1c(CNC(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000930257904 1211699722 /nfs/dbraw/zinc/69/97/22/1211699722.db2.gz PTQSYWOPMRLNQB-KDOFPFPSSA-N 1 1 360.414 0.930 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000837190518 1222639497 /nfs/dbraw/zinc/63/94/97/1222639497.db2.gz NVIAGSHNCOKLEK-WBMJQRKESA-N 1 1 362.386 0.613 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000837190518 1222639500 /nfs/dbraw/zinc/63/95/00/1222639500.db2.gz NVIAGSHNCOKLEK-WBMJQRKESA-N 1 1 362.386 0.613 10 5 FCBEMO O=C(c1ccc2c[nH+]cn2c1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007778 1246427948 /nfs/dbraw/zinc/42/79/48/1246427948.db2.gz SSGHBPWBSCMIID-HUUCEWRRSA-N 1 1 357.370 0.674 10 5 FCBEMO O=[N+]([O-])Cc1nnc(N2CC[NH+](C3CC3)CC2)n1C[C@H]1CCCCO1 ZINC001516674356 1265566769 /nfs/dbraw/zinc/56/67/69/1265566769.db2.gz UTHPKXOATMBZMI-CQSZACIVSA-N 1 1 350.423 0.908 10 5 FCBEMO CN(CC(C)(C)C[NH2+]Cc1nnc2n1CCOC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001329290580 1265728683 /nfs/dbraw/zinc/72/86/83/1265728683.db2.gz BZDNKEPWSLZHQX-VXGBXAGGSA-N 1 1 366.422 0.048 10 5 FCBEMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC001520334041 1265909127 /nfs/dbraw/zinc/90/91/27/1265909127.db2.gz GIKPEJCWUYDVRA-NSHDSACASA-N 1 1 353.379 0.196 10 5 FCBEMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC001520334041 1265909134 /nfs/dbraw/zinc/90/91/34/1265909134.db2.gz GIKPEJCWUYDVRA-NSHDSACASA-N 1 1 353.379 0.196 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCCC1=CCCCC1 ZINC001265476508 1260414100 /nfs/dbraw/zinc/41/41/00/1260414100.db2.gz GSQLYPCFVSWXIC-KLHDSHLOSA-N 1 1 364.446 0.895 10 5 FCBEMO C[C@@H]1[C@@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001479379567 1263188837 /nfs/dbraw/zinc/18/88/37/1263188837.db2.gz YKFAFQRWLXMCHL-AQNFWKISSA-N 1 1 352.391 0.381 10 5 FCBEMO CC(C)CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001480391503 1263430523 /nfs/dbraw/zinc/43/05/23/1263430523.db2.gz MFAVAZVWVSFKHC-GAGVYUBLSA-N 1 1 366.462 0.591 10 5 FCBEMO 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CCC[N@@H+](C)CC(=O)NCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001705444631 1286394357 /nfs/dbraw/zinc/39/43/57/1286394357.db2.gz YDFHKJHOFZWPQY-ZIAGYGMSSA-N 1 1 354.451 0.738 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(CNCc2nnc(C3CC3)o2)CC1 ZINC001724976025 1288457716 /nfs/dbraw/zinc/45/77/16/1288457716.db2.gz LEWUFILFFXMLHJ-VXGBXAGGSA-N 1 1 365.390 0.055 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCCC1=CCCCC1 ZINC001731475967 1288557456 /nfs/dbraw/zinc/55/74/56/1288557456.db2.gz GSQLYPCFVSWXIC-QKPAOTATSA-N 1 1 364.446 0.895 10 5 FCBEMO CN(C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nccs1 ZINC001734205765 1288645453 /nfs/dbraw/zinc/64/54/53/1288645453.db2.gz YTEDUCBYQDIXKT-DDHJBXDOSA-N 1 1 367.431 0.256 10 5 FCBEMO C[NH+](C)CCC(=O)NCC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001736344782 1289269758 /nfs/dbraw/zinc/26/97/58/1289269758.db2.gz BJRQOWZUYAGJCO-HUUCEWRRSA-N 1 1 368.478 0.984 10 5 FCBEMO 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CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC001654030346 1291389074 /nfs/dbraw/zinc/38/90/74/1291389074.db2.gz KHCIZDDVSKNGDM-LLVKDONJSA-N 1 1 370.431 0.717 10 5 FCBEMO COCC[NH+](CCOC)C1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001654690411 1291427204 /nfs/dbraw/zinc/42/72/04/1291427204.db2.gz LMUBYCARXHNBJQ-UHFFFAOYSA-N 1 1 354.363 0.115 10 5 FCBEMO COC(=O)C1([C@@]2(O)CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC001660337816 1291656555 /nfs/dbraw/zinc/65/65/55/1291656555.db2.gz DPXQQBUGCGTUII-MRXNPFEDSA-N 1 1 352.391 0.962 10 5 FCBEMO CS(=O)(=O)c1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001277055733 861746074 /nfs/dbraw/zinc/74/60/74/861746074.db2.gz UGZIGAJOSTZLHT-ZIAGYGMSSA-N 1 1 367.427 0.494 10 5 FCBEMO C[N@@H+]1CC=C(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001137819442 849285525 /nfs/dbraw/zinc/28/55/25/849285525.db2.gz UNDNFZJHZRTGJM-UHFFFAOYSA-N 1 1 353.400 0.990 10 5 FCBEMO CN(CC[N@@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001168339409 850582183 /nfs/dbraw/zinc/58/21/83/850582183.db2.gz MNECCCPLHCGGFA-UHFFFAOYSA-N 1 1 357.432 0.675 10 5 FCBEMO C[N@@H+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](CO)C1 ZINC001168537621 850588405 /nfs/dbraw/zinc/58/84/05/850588405.db2.gz JFRZLRBRXFGUJG-JTQLQIEISA-N 1 1 370.793 0.113 10 5 FCBEMO C[N@H+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](CO)C1 ZINC001168537621 850588413 /nfs/dbraw/zinc/58/84/13/850588413.db2.gz JFRZLRBRXFGUJG-JTQLQIEISA-N 1 1 370.793 0.113 10 5 FCBEMO CCNC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171501193 850686045 /nfs/dbraw/zinc/68/60/45/850686045.db2.gz HMOIDUKCRJLCBW-UHFFFAOYSA-N 1 1 358.420 0.331 10 5 FCBEMO O=C1CCCN1[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001195125357 852710996 /nfs/dbraw/zinc/71/09/96/852710996.db2.gz YSWOQSJBCHWUFP-ZFWWWQNUSA-N 1 1 351.407 0.629 10 5 FCBEMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@](C)(O)C(F)F ZINC001195241711 852729694 /nfs/dbraw/zinc/72/96/94/852729694.db2.gz LSOVSZBCZKTNSM-ZDUSSCGKSA-N 1 1 367.374 0.821 10 5 FCBEMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@](C)(O)C(F)F ZINC001195241711 852729697 /nfs/dbraw/zinc/72/96/97/852729697.db2.gz LSOVSZBCZKTNSM-ZDUSSCGKSA-N 1 1 367.374 0.821 10 5 FCBEMO CCn1nc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001275668329 861151091 /nfs/dbraw/zinc/15/10/91/861151091.db2.gz KUBYXMXYFMQSMM-TZMCWYRMSA-N 1 1 352.439 0.846 10 5 FCBEMO O=C(NC1(C[NH2+]CCn2cc(Cl)cn2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001281243413 863493571 /nfs/dbraw/zinc/49/35/71/863493571.db2.gz XIFCHHRVLMKGAV-CHWSQXEVSA-N 1 1 371.825 0.457 10 5 FCBEMO CCCN(C(=O)CC[NH+](C)C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001353029947 867328439 /nfs/dbraw/zinc/32/84/39/867328439.db2.gz JABPQPPFHCEUBS-HUUCEWRRSA-N 1 1 354.451 0.833 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001324772313 869672696 /nfs/dbraw/zinc/67/26/96/869672696.db2.gz XYFYTSVIMWTPFF-GXFFZTMASA-N 1 1 369.399 0.706 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001324772313 869672700 /nfs/dbraw/zinc/67/27/00/869672700.db2.gz XYFYTSVIMWTPFF-GXFFZTMASA-N 1 1 369.399 0.706 10 5 FCBEMO CN(CC(=O)NC[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265719858 210206866 /nfs/dbraw/zinc/20/68/66/210206866.db2.gz YSJGXEDROALFLE-ZDUSSCGKSA-N 1 1 370.431 0.426 10 5 FCBEMO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366640866 216009022 /nfs/dbraw/zinc/00/90/22/216009022.db2.gz LQRCRXHAYHHHQK-MRXNPFEDSA-N 1 1 360.414 0.700 10 5 FCBEMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367590756 216141491 /nfs/dbraw/zinc/14/14/91/216141491.db2.gz VYMCYLLODFDLCS-ZDUSSCGKSA-N 1 1 364.402 0.437 10 5 FCBEMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367590756 216141499 /nfs/dbraw/zinc/14/14/99/216141499.db2.gz VYMCYLLODFDLCS-ZDUSSCGKSA-N 1 1 364.402 0.437 10 5 FCBEMO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000246622749 209392662 /nfs/dbraw/zinc/39/26/62/209392662.db2.gz ADERKISSPOVMFV-GXTWGEPZSA-N 1 1 350.379 0.798 10 5 FCBEMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000276909937 212306494 /nfs/dbraw/zinc/30/64/94/212306494.db2.gz NFVOQCHRFQMZCF-LLVKDONJSA-N 1 1 357.388 0.754 10 5 FCBEMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000276909937 212306496 /nfs/dbraw/zinc/30/64/96/212306496.db2.gz NFVOQCHRFQMZCF-LLVKDONJSA-N 1 1 357.388 0.754 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000419320349 246097425 /nfs/dbraw/zinc/09/74/25/246097425.db2.gz DOSBPFIDWQSOJF-FMKPAKJESA-N 1 1 353.419 0.721 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000419320349 246097432 /nfs/dbraw/zinc/09/74/32/246097432.db2.gz DOSBPFIDWQSOJF-FMKPAKJESA-N 1 1 353.419 0.721 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000419346102 246109007 /nfs/dbraw/zinc/10/90/07/246109007.db2.gz UWEUKNMMXFIXBV-ZIAGYGMSSA-N 1 1 362.430 0.871 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419345877 246109603 /nfs/dbraw/zinc/10/96/03/246109603.db2.gz UMODTCOGRKIQNB-CHWSQXEVSA-N 1 1 366.418 0.929 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000068430803 208027992 /nfs/dbraw/zinc/02/79/92/208027992.db2.gz GIWIFJCRTPPBPR-GFCCVEGCSA-N 1 1 351.407 0.811 10 5 FCBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000109125133 208254566 /nfs/dbraw/zinc/25/45/66/208254566.db2.gz XKJIINBSCCMPSA-OAHLLOKOSA-N 1 1 374.401 0.704 10 5 FCBEMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)cn1 ZINC000109659355 208260709 /nfs/dbraw/zinc/26/07/09/208260709.db2.gz WJOSSTPMLBQHIR-UHFFFAOYSA-N 1 1 360.374 0.777 10 5 FCBEMO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)cn1 ZINC000109659355 208260716 /nfs/dbraw/zinc/26/07/16/208260716.db2.gz WJOSSTPMLBQHIR-UHFFFAOYSA-N 1 1 360.374 0.777 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000266202863 210303229 /nfs/dbraw/zinc/30/32/29/210303229.db2.gz JXCIRSACCRVUCC-NSHDSACASA-N 1 1 358.420 0.135 10 5 FCBEMO C[N@H+]1CCC[C@H](N2CCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000301292432 488878356 /nfs/dbraw/zinc/87/83/56/488878356.db2.gz NYNDIKRPGDWQCT-AWEZNQCLSA-N 1 1 372.429 0.819 10 5 FCBEMO C[N@@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000302043078 488886685 /nfs/dbraw/zinc/88/66/85/488886685.db2.gz OHTVOJJFQHZXSC-UHFFFAOYSA-N 1 1 357.432 0.891 10 5 FCBEMO CC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000110593595 488526132 /nfs/dbraw/zinc/52/61/32/488526132.db2.gz VAFNLDNLXHFNJW-GFCCVEGCSA-N 1 1 350.375 0.957 10 5 FCBEMO O=c1n(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccn21 ZINC000118865958 488554347 /nfs/dbraw/zinc/55/43/47/488554347.db2.gz HGUDCKRWPVBUKO-CYBMUJFWSA-N 1 1 369.385 0.986 10 5 FCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154312043 488741461 /nfs/dbraw/zinc/74/14/61/488741461.db2.gz DPHAZIFKAXVIFW-HUUCEWRRSA-N 1 1 374.401 0.186 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173831037 488845841 /nfs/dbraw/zinc/84/58/41/488845841.db2.gz CIQJJOZDGWAUDU-TZMCWYRMSA-N 1 1 351.407 0.669 10 5 FCBEMO COc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000451662874 489515412 /nfs/dbraw/zinc/51/54/12/489515412.db2.gz LAJPVPGUCWCFGD-GFCCVEGCSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000451662874 489515415 /nfs/dbraw/zinc/51/54/15/489515415.db2.gz LAJPVPGUCWCFGD-GFCCVEGCSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000451670611 489516641 /nfs/dbraw/zinc/51/66/41/489516641.db2.gz OTJBERQTYXKFDR-LBPRGKRZSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000451670611 489516642 /nfs/dbraw/zinc/51/66/42/489516642.db2.gz OTJBERQTYXKFDR-LBPRGKRZSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426488612 489570752 /nfs/dbraw/zinc/57/07/52/489570752.db2.gz WDLYANNQRGMUOR-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426488612 489570756 /nfs/dbraw/zinc/57/07/56/489570756.db2.gz WDLYANNQRGMUOR-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1ccc(NC(=O)CCN2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492312 489570889 /nfs/dbraw/zinc/57/08/89/489570889.db2.gz PYFREOQLVQPEQW-CYBMUJFWSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1ccc(NC(=O)CC[N@@H+]2CCN(CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492312 489570890 /nfs/dbraw/zinc/57/08/90/489570890.db2.gz PYFREOQLVQPEQW-CYBMUJFWSA-N 1 1 366.418 0.930 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2CCN(CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492312 489570892 /nfs/dbraw/zinc/57/08/92/489570892.db2.gz PYFREOQLVQPEQW-CYBMUJFWSA-N 1 1 366.418 0.930 10 5 FCBEMO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1CCO ZINC000428168384 489640654 /nfs/dbraw/zinc/64/06/54/489640654.db2.gz VNOMHBNMYYPLJZ-LBPRGKRZSA-N 1 1 365.386 0.434 10 5 FCBEMO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1CCO ZINC000428168384 489640670 /nfs/dbraw/zinc/64/06/70/489640670.db2.gz VNOMHBNMYYPLJZ-LBPRGKRZSA-N 1 1 365.386 0.434 10 5 FCBEMO C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000490076003 489745040 /nfs/dbraw/zinc/74/50/40/489745040.db2.gz ZRSDVZDQMNNCNB-GFCCVEGCSA-N 1 1 372.447 0.348 10 5 FCBEMO C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000490076003 489745042 /nfs/dbraw/zinc/74/50/42/489745042.db2.gz ZRSDVZDQMNNCNB-GFCCVEGCSA-N 1 1 372.447 0.348 10 5 FCBEMO Cc1nn(C)c(C(=O)NC2CCC([NH+]3CCNCC3)CC2)c1[N+](=O)[O-] ZINC000570962910 491276709 /nfs/dbraw/zinc/27/67/09/491276709.db2.gz MENXFRWMLQVYRF-UHFFFAOYSA-N 1 1 350.423 0.583 10 5 FCBEMO C[N@H+]1CCC[C@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000498261364 490279066 /nfs/dbraw/zinc/27/90/66/490279066.db2.gz HGKWVBHWGOXVBA-ZDUSSCGKSA-N 1 1 370.431 0.621 10 5 FCBEMO CC[C@H](CO)[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000525708238 490625442 /nfs/dbraw/zinc/62/54/42/490625442.db2.gz ZHOPQJZSDIIFGB-LLVKDONJSA-N 1 1 358.420 0.135 10 5 FCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487072041 490691263 /nfs/dbraw/zinc/69/12/63/490691263.db2.gz GGZABMNNLHODQQ-OAHLLOKOSA-N 1 1 358.402 0.867 10 5 FCBEMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000539023461 490762151 /nfs/dbraw/zinc/76/21/51/490762151.db2.gz FZVXUMLECRLSFR-OKILXGFUSA-N 1 1 364.450 0.959 10 5 FCBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000517685961 490916670 /nfs/dbraw/zinc/91/66/70/490916670.db2.gz CWQCOBFSOJCGCN-NEPJUHHUSA-N 1 1 350.375 0.955 10 5 FCBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000517685961 490916673 /nfs/dbraw/zinc/91/66/73/490916673.db2.gz CWQCOBFSOJCGCN-NEPJUHHUSA-N 1 1 350.375 0.955 10 5 FCBEMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000518665544 490948295 /nfs/dbraw/zinc/94/82/95/490948295.db2.gz HRCJEZDPLKWAIL-ZDUSSCGKSA-N 1 1 373.431 0.993 10 5 FCBEMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000518665544 490948296 /nfs/dbraw/zinc/94/82/96/490948296.db2.gz HRCJEZDPLKWAIL-ZDUSSCGKSA-N 1 1 373.431 0.993 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000532115881 490987616 /nfs/dbraw/zinc/98/76/16/490987616.db2.gz XFMXUSXDYHQISC-UHFFFAOYSA-N 1 1 374.401 0.844 10 5 FCBEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588001075 491736989 /nfs/dbraw/zinc/73/69/89/491736989.db2.gz LCSSMKAQOZEZCS-OAHLLOKOSA-N 1 1 363.418 0.412 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000589502262 491762795 /nfs/dbraw/zinc/76/27/95/491762795.db2.gz SFJZSQVEUODZLB-OAHLLOKOSA-N 1 1 367.402 0.506 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000589502262 491762797 /nfs/dbraw/zinc/76/27/97/491762797.db2.gz SFJZSQVEUODZLB-OAHLLOKOSA-N 1 1 367.402 0.506 10 5 FCBEMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680477 491764830 /nfs/dbraw/zinc/76/48/30/491764830.db2.gz SZIVLJOSNXQRBV-QGZVFWFLSA-N 1 1 361.402 0.984 10 5 FCBEMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590354977 491774158 /nfs/dbraw/zinc/77/41/58/491774158.db2.gz GTNWPMXRHQXOGA-INIZCTEOSA-N 1 1 370.413 0.900 10 5 FCBEMO NS(=O)(=O)c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000596539687 491989555 /nfs/dbraw/zinc/98/95/55/491989555.db2.gz PVCIMHNGKGBJNI-CYBMUJFWSA-N 1 1 370.431 0.278 10 5 FCBEMO CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000597947589 492074585 /nfs/dbraw/zinc/07/45/85/492074585.db2.gz ZKRFPOIWUJAYSZ-HNNXBMFYSA-N 1 1 363.418 0.947 10 5 FCBEMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598501318 492101677 /nfs/dbraw/zinc/10/16/77/492101677.db2.gz DLNURMKBQOWYMK-CQSZACIVSA-N 1 1 358.402 0.864 10 5 FCBEMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598501318 492101678 /nfs/dbraw/zinc/10/16/78/492101678.db2.gz DLNURMKBQOWYMK-CQSZACIVSA-N 1 1 358.402 0.864 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000599247806 492148453 /nfs/dbraw/zinc/14/84/53/492148453.db2.gz UJALIVAQGDMOFM-GFCCVEGCSA-N 1 1 357.436 0.681 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000617407224 492166987 /nfs/dbraw/zinc/16/69/87/492166987.db2.gz HUAOSVLRTXATBV-ZDUSSCGKSA-N 1 1 350.423 0.663 10 5 FCBEMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000599656405 492197014 /nfs/dbraw/zinc/19/70/14/492197014.db2.gz IPQDNJZBMAOFTB-YJNKXOJESA-N 1 1 352.391 0.816 10 5 FCBEMO CN(CC(=O)N[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988429 492230359 /nfs/dbraw/zinc/23/03/59/492230359.db2.gz IVYYLJGUGWUBRC-LBPRGKRZSA-N 1 1 370.431 0.426 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000416456802 546915096 /nfs/dbraw/zinc/91/50/96/546915096.db2.gz MUVQOGALFCAAPO-UHFFFAOYSA-N 1 1 369.399 0.922 10 5 FCBEMO NC(=O)NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131023 546945128 /nfs/dbraw/zinc/94/51/28/546945128.db2.gz QBIVXOKGEQMOAT-JOCQHMNTSA-N 1 1 350.375 0.895 10 5 FCBEMO NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131023 546945130 /nfs/dbraw/zinc/94/51/30/546945130.db2.gz QBIVXOKGEQMOAT-JOCQHMNTSA-N 1 1 350.375 0.895 10 5 FCBEMO COCC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000593338513 546967530 /nfs/dbraw/zinc/96/75/30/546967530.db2.gz KHHLHHTWERUZNY-UHFFFAOYSA-N 1 1 352.391 0.326 10 5 FCBEMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000593545453 546973063 /nfs/dbraw/zinc/97/30/63/546973063.db2.gz DXBXSSSJWPRPNR-AWEZNQCLSA-N 1 1 369.447 0.390 10 5 FCBEMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000593586302 546980380 /nfs/dbraw/zinc/98/03/80/546980380.db2.gz RQHLDONSIIOKDE-GFCCVEGCSA-N 1 1 358.420 0.769 10 5 FCBEMO Cc1cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000594478974 547000183 /nfs/dbraw/zinc/00/01/83/547000183.db2.gz ZJWRCILLWCAETC-QWHCGFSZSA-N 1 1 355.416 0.651 10 5 FCBEMO Cc1cc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000594478974 547000184 /nfs/dbraw/zinc/00/01/84/547000184.db2.gz ZJWRCILLWCAETC-QWHCGFSZSA-N 1 1 355.416 0.651 10 5 FCBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923430824 667834865 /nfs/dbraw/zinc/83/48/65/667834865.db2.gz NCLJTUAEWVWXPZ-GFCCVEGCSA-N 1 1 354.432 0.575 10 5 FCBEMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127581 669081930 /nfs/dbraw/zinc/08/19/30/669081930.db2.gz FIIGOOQTNGDKTK-CABCVRRESA-N 1 1 357.432 0.984 10 5 FCBEMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127581 669081935 /nfs/dbraw/zinc/08/19/35/669081935.db2.gz FIIGOOQTNGDKTK-CABCVRRESA-N 1 1 357.432 0.984 10 5 FCBEMO O=C(CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000847050433 671168717 /nfs/dbraw/zinc/16/87/17/671168717.db2.gz URBVGPPOMCNZCR-QWHCGFSZSA-N 1 1 352.366 0.813 10 5 FCBEMO CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCN2CCCC2=O)CC1 ZINC001266386468 1168366582 /nfs/dbraw/zinc/36/65/82/1168366582.db2.gz GZXJMNLVSWROMJ-HZPDHXFCSA-N 1 1 366.462 0.977 10 5 FCBEMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)CC[C@@H]21 ZINC001648928044 1183673069 /nfs/dbraw/zinc/67/30/69/1183673069.db2.gz IQHATXRGAHWFAV-FZMZJTMJSA-N 1 1 357.374 0.737 10 5 FCBEMO CCN(CC)C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001481513943 1186213755 /nfs/dbraw/zinc/21/37/55/1186213755.db2.gz MCLBARAJNIYFGX-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO CCN(CC)C(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001481513943 1186213764 /nfs/dbraw/zinc/21/37/64/1186213764.db2.gz MCLBARAJNIYFGX-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO CCN(CC)C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001481513943 1186213772 /nfs/dbraw/zinc/21/37/72/1186213772.db2.gz MCLBARAJNIYFGX-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO O=C(NCc1ccc(C[NH2+]CCN2CCCC2=O)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001482028876 1187573896 /nfs/dbraw/zinc/57/38/96/1187573896.db2.gz FDLSKYCEHWRGFP-HZPDHXFCSA-N 1 1 360.414 0.680 10 5 FCBEMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CC[N@H+]1C ZINC001648973507 1190839190 /nfs/dbraw/zinc/83/91/90/1190839190.db2.gz HTFLGFJHXVZSGF-OAHLLOKOSA-N 1 1 359.390 0.983 10 5 FCBEMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394308 1196718293 /nfs/dbraw/zinc/71/82/93/1196718293.db2.gz WVZWUOKSSUFIGV-QWHCGFSZSA-N 1 1 372.381 0.799 10 5 FCBEMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394148 1196720151 /nfs/dbraw/zinc/72/01/51/1196720151.db2.gz SXSFXHBCUCGBHW-QWHCGFSZSA-N 1 1 357.370 0.672 10 5 FCBEMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000854354661 1209623756 /nfs/dbraw/zinc/62/37/56/1209623756.db2.gz SQYPDGQMWHYTPV-ZDUSSCGKSA-N 1 1 363.374 0.931 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866631330 1210000353 /nfs/dbraw/zinc/00/03/53/1210000353.db2.gz LVYPWZFMKWURBN-UHFFFAOYSA-N 1 1 366.393 0.899 10 5 FCBEMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001119594492 1221938560 /nfs/dbraw/zinc/93/85/60/1221938560.db2.gz WUNCCCYRELFAHW-FUHWJXTLSA-N 1 1 362.430 0.694 10 5 FCBEMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001119594494 1221938933 /nfs/dbraw/zinc/93/89/33/1221938933.db2.gz WUNCCCYRELFAHW-WMZOPIPTSA-N 1 1 362.430 0.694 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000841453618 1222823375 /nfs/dbraw/zinc/82/33/75/1222823375.db2.gz HQKISELRZCZPBP-QWHCGFSZSA-N 1 1 365.386 0.700 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000841453618 1222823377 /nfs/dbraw/zinc/82/33/77/1222823377.db2.gz HQKISELRZCZPBP-QWHCGFSZSA-N 1 1 365.386 0.700 10 5 FCBEMO Cc1c(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccc2c[nH+]cn21 ZINC000941007246 1246426905 /nfs/dbraw/zinc/42/69/05/1246426905.db2.gz HMYJTLGKBJFYIB-HZPDHXFCSA-N 1 1 371.397 0.982 10 5 FCBEMO 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ZINC000521116263 490226307 /nfs/dbraw/zinc/22/63/07/490226307.db2.gz VOZJYYGTZRZIOQ-NWDGAFQWSA-N 1 1 350.375 0.860 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000498039404 490249732 /nfs/dbraw/zinc/24/97/32/490249732.db2.gz VIILDHMYFPUEIH-UHFFFAOYSA-N 1 1 374.405 0.060 10 5 FCBEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000535428222 490489916 /nfs/dbraw/zinc/48/99/16/490489916.db2.gz CYKPXILFPYZGGH-LLVKDONJSA-N 1 1 351.359 0.852 10 5 FCBEMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000524543493 490543934 /nfs/dbraw/zinc/54/39/34/490543934.db2.gz ISOSCYMAEQVFJF-STQMWFEESA-N 1 1 354.411 0.440 10 5 FCBEMO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000544143468 490958712 /nfs/dbraw/zinc/95/87/12/490958712.db2.gz XDNZKLVPVPWLFR-OLZOCXBDSA-N 1 1 358.416 0.701 10 5 FCBEMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000544143468 490958714 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HYNDJKDLADLHFN-CQSZACIVSA-N 1 1 360.418 0.972 10 5 FCBEMO O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C[C@H]4C[NH2+]CCO4)CC3)nc2c1 ZINC000595891434 491959589 /nfs/dbraw/zinc/95/95/89/491959589.db2.gz HYNDJKDLADLHFN-CQSZACIVSA-N 1 1 360.418 0.972 10 5 FCBEMO Nc1nccc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000597989956 492076288 /nfs/dbraw/zinc/07/62/88/492076288.db2.gz IQFGVVWBALGIPL-CQSZACIVSA-N 1 1 371.397 1.069 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598643309 492111834 /nfs/dbraw/zinc/11/18/34/492111834.db2.gz AFOFOEPBZXTCIZ-HIFRSBDPSA-N 1 1 366.399 0.412 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccncc2)n1 ZINC000599102803 492135534 /nfs/dbraw/zinc/13/55/34/492135534.db2.gz UOEOXESUYZHCEM-NSHDSACASA-N 1 1 352.376 0.059 10 5 FCBEMO Cc1nn(CCC(=O)NC2CC([NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000600070124 492241371 /nfs/dbraw/zinc/24/13/71/492241371.db2.gz XKCIAZMHPUIEHS-UHFFFAOYSA-N 1 1 351.407 0.778 10 5 FCBEMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369550 492243333 /nfs/dbraw/zinc/24/33/33/492243333.db2.gz SXQYLHQLIMQXSV-UKRRQHHQSA-N 1 1 351.407 0.487 10 5 FCBEMO Cc1c(C(=O)N[C@H]2CCC[N@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426162 492245099 /nfs/dbraw/zinc/24/50/99/492245099.db2.gz BNABBPKOQKRCSW-JTQLQIEISA-N 1 1 356.404 0.375 10 5 FCBEMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000600297402 492258006 /nfs/dbraw/zinc/25/80/06/492258006.db2.gz CMIUIACUYXQZJC-CYBMUJFWSA-N 1 1 360.374 0.586 10 5 FCBEMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000600297402 492258007 /nfs/dbraw/zinc/25/80/07/492258007.db2.gz CMIUIACUYXQZJC-CYBMUJFWSA-N 1 1 360.374 0.586 10 5 FCBEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000619873728 492280535 /nfs/dbraw/zinc/28/05/35/492280535.db2.gz SEBGKPQOTWJHAG-CQSZACIVSA-N 1 1 370.413 0.900 10 5 FCBEMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187279438 534411024 /nfs/dbraw/zinc/41/10/24/534411024.db2.gz LGFGEBVNWUPQMN-GFCCVEGCSA-N 1 1 360.374 0.314 10 5 FCBEMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187279438 534411029 /nfs/dbraw/zinc/41/10/29/534411029.db2.gz LGFGEBVNWUPQMN-GFCCVEGCSA-N 1 1 360.374 0.314 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000591324311 546934636 /nfs/dbraw/zinc/93/46/36/546934636.db2.gz MPWBCUIHTUQOPD-SNVBAGLBSA-N 1 1 357.388 0.754 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000591324311 546934640 /nfs/dbraw/zinc/93/46/40/546934640.db2.gz MPWBCUIHTUQOPD-SNVBAGLBSA-N 1 1 357.388 0.754 10 5 FCBEMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593555355 546974909 /nfs/dbraw/zinc/97/49/09/546974909.db2.gz ZZMRQZOISNSQAI-UHFFFAOYSA-N 1 1 358.420 0.457 10 5 FCBEMO CC1(C)C[NH+](CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594293207 546996577 /nfs/dbraw/zinc/99/65/77/546996577.db2.gz BOIQBHYYLIMFPJ-UHFFFAOYSA-N 1 1 370.431 0.331 10 5 FCBEMO CN(C)c1cc(F)c(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000848306399 671266540 /nfs/dbraw/zinc/26/65/40/671266540.db2.gz RLMGHPQIAIDXOU-WDEREUQCSA-N 1 1 352.366 0.691 10 5 FCBEMO O=C(NCC(=O)N1CC[NH2+]C[C@H]1C(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000857004555 671712566 /nfs/dbraw/zinc/71/25/66/671712566.db2.gz RMUQIVZFWPZQBQ-NSHDSACASA-N 1 1 357.317 0.782 10 5 FCBEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000117325755 671877478 /nfs/dbraw/zinc/87/74/78/671877478.db2.gz LDQQLCBALIXKBE-INIZCTEOSA-N 1 1 352.439 0.476 10 5 FCBEMO Cn1c(=O)oc2ccc(C[NH2+]C3(CNC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)cc21 ZINC001269411734 1187847326 /nfs/dbraw/zinc/84/73/26/1187847326.db2.gz RBJRPXDKZLIWKN-VXGBXAGGSA-N 1 1 360.370 0.535 10 5 FCBEMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393811 1196718929 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FCBEMO CN(CC1CCCCC1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001499221829 1264015855 /nfs/dbraw/zinc/01/58/55/1264015855.db2.gz UHLKBFKKYCWTFG-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO CN(CCC1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001500696615 1264080985 /nfs/dbraw/zinc/08/09/85/1264080985.db2.gz REXQHLWPJMOAIC-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO CN(C(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001510139446 1264482357 /nfs/dbraw/zinc/48/23/57/1264482357.db2.gz JRCGQLSIYRCDMS-HUUCEWRRSA-N 1 1 352.435 0.585 10 5 FCBEMO CN(C(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001510139446 1264482361 /nfs/dbraw/zinc/48/23/61/1264482361.db2.gz JRCGQLSIYRCDMS-HUUCEWRRSA-N 1 1 352.435 0.585 10 5 FCBEMO CN(C(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001510139446 1264482367 /nfs/dbraw/zinc/48/23/67/1264482367.db2.gz JRCGQLSIYRCDMS-HUUCEWRRSA-N 1 1 352.435 0.585 10 5 FCBEMO 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IGIDSFXFUGTIBQ-UONOGXRCSA-N 1 1 350.419 0.945 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000416304854 489582053 /nfs/dbraw/zinc/58/20/53/489582053.db2.gz IGIDSFXFUGTIBQ-KBPBESRZSA-N 1 1 350.419 0.945 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000416316052 489582532 /nfs/dbraw/zinc/58/25/32/489582532.db2.gz VPFSRUZFJMCPLP-WDEREUQCSA-N 1 1 351.359 0.851 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000416316052 489582534 /nfs/dbraw/zinc/58/25/34/489582534.db2.gz VPFSRUZFJMCPLP-WDEREUQCSA-N 1 1 351.359 0.851 10 5 FCBEMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428527531 489652467 /nfs/dbraw/zinc/65/24/67/489652467.db2.gz LXIGVBKCEKCMSN-YPMHNXCESA-N 1 1 368.438 0.352 10 5 FCBEMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428527531 489652471 /nfs/dbraw/zinc/65/24/71/489652471.db2.gz LXIGVBKCEKCMSN-YPMHNXCESA-N 1 1 368.438 0.352 10 5 FCBEMO CN(C)S(=O)(=O)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000377767518 489955044 /nfs/dbraw/zinc/95/50/44/489955044.db2.gz NOGPVSXMHCYRKQ-OAHLLOKOSA-N 1 1 372.447 0.442 10 5 FCBEMO CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000377767518 489955047 /nfs/dbraw/zinc/95/50/47/489955047.db2.gz NOGPVSXMHCYRKQ-OAHLLOKOSA-N 1 1 372.447 0.442 10 5 FCBEMO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000420975248 490036624 /nfs/dbraw/zinc/03/66/24/490036624.db2.gz OCIZTCRNEYKLSH-WDEREUQCSA-N 1 1 350.375 0.998 10 5 FCBEMO CNC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000420975248 490036630 /nfs/dbraw/zinc/03/66/30/490036630.db2.gz OCIZTCRNEYKLSH-WDEREUQCSA-N 1 1 350.375 0.998 10 5 FCBEMO CC(=O)[C@@](C)(O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971051 490037289 /nfs/dbraw/zinc/03/72/89/490037289.db2.gz HDNUYDDLAQDYGZ-AWEZNQCLSA-N 1 1 359.404 0.145 10 5 FCBEMO CC(=O)[C@@](C)(O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971051 490037290 /nfs/dbraw/zinc/03/72/90/490037290.db2.gz HDNUYDDLAQDYGZ-AWEZNQCLSA-N 1 1 359.404 0.145 10 5 FCBEMO C[C@]1(F)C[NH2+]CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000520409572 490144390 /nfs/dbraw/zinc/14/43/90/490144390.db2.gz NQCRZBJQCOCEGB-AWEZNQCLSA-N 1 1 374.394 0.033 10 5 FCBEMO COc1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000405383882 490182964 /nfs/dbraw/zinc/18/29/64/490182964.db2.gz KGQDPJJYJFOXJS-WDEREUQCSA-N 1 1 351.359 0.503 10 5 FCBEMO Cc1[nH]nc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408080946 490243002 /nfs/dbraw/zinc/24/30/02/490243002.db2.gz TTZXVFKTHVIGKV-LLVKDONJSA-N 1 1 350.423 0.867 10 5 FCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000468181599 490373098 /nfs/dbraw/zinc/37/30/98/490373098.db2.gz BHJWSQYYKDOCLH-OAHLLOKOSA-N 1 1 374.401 0.459 10 5 FCBEMO Cc1nn(C)c(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000524771785 490558088 /nfs/dbraw/zinc/55/80/88/490558088.db2.gz QCUJPTYYQODIEO-UHFFFAOYSA-N 1 1 374.405 0.455 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000512267200 490669553 /nfs/dbraw/zinc/66/95/53/490669553.db2.gz WMGOZXODBZZXRM-QWHCGFSZSA-N 1 1 359.404 0.087 10 5 FCBEMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000513960823 490756316 /nfs/dbraw/zinc/75/63/16/490756316.db2.gz PGJBOAORZZBVHN-AWEZNQCLSA-N 1 1 368.459 0.998 10 5 FCBEMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000543553268 490936305 /nfs/dbraw/zinc/93/63/05/490936305.db2.gz KIJLFGMBZITGPM-AWEZNQCLSA-N 1 1 362.386 0.909 10 5 FCBEMO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000544143472 490958725 /nfs/dbraw/zinc/95/87/25/490958725.db2.gz XDNZKLVPVPWLFR-STQMWFEESA-N 1 1 358.416 0.701 10 5 FCBEMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000544143472 490958726 /nfs/dbraw/zinc/95/87/26/490958726.db2.gz XDNZKLVPVPWLFR-STQMWFEESA-N 1 1 358.416 0.701 10 5 FCBEMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000531633497 490968485 /nfs/dbraw/zinc/96/84/85/490968485.db2.gz HSSKFRSEQDOLGP-LBPRGKRZSA-N 1 1 356.404 0.181 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000532135953 490988648 /nfs/dbraw/zinc/98/86/48/490988648.db2.gz HITVMMZMZQHQPK-UHFFFAOYSA-N 1 1 363.418 0.900 10 5 FCBEMO Nc1n[nH]c(C2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)n1 ZINC000595489925 491936730 /nfs/dbraw/zinc/93/67/30/491936730.db2.gz WBWGZZZTNWRETL-UHFFFAOYSA-N 1 1 371.401 1.064 10 5 FCBEMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392221 491775101 /nfs/dbraw/zinc/77/51/01/491775101.db2.gz HUFSMUYXJYJNMB-UHFFFAOYSA-N 1 1 362.386 0.115 10 5 FCBEMO C[N@H+]1C[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590443468 491776606 /nfs/dbraw/zinc/77/66/06/491776606.db2.gz IWVOHQXRJOPTIY-DGCLKSJQSA-N 1 1 368.415 0.036 10 5 FCBEMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000590441963 491776702 /nfs/dbraw/zinc/77/67/02/491776702.db2.gz DQJVKOMBHLUWRT-YNEHKIRRSA-N 1 1 362.386 0.955 10 5 FCBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000590441962 491776862 /nfs/dbraw/zinc/77/68/62/491776862.db2.gz DQJVKOMBHLUWRT-XQQFMLRXSA-N 1 1 362.386 0.955 10 5 FCBEMO C[N@H+]1C[C@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590445000 491777045 /nfs/dbraw/zinc/77/70/45/491777045.db2.gz PJUVNJYQMAZZQY-BXUZGUMPSA-N 1 1 360.370 0.483 10 5 FCBEMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)C1 ZINC000600539593 491867606 /nfs/dbraw/zinc/86/76/06/491867606.db2.gz BCKROAYGJCQMSL-PBHICJAKSA-N 1 1 365.386 0.820 10 5 FCBEMO CC[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)C1 ZINC000600539593 491867608 /nfs/dbraw/zinc/86/76/08/491867608.db2.gz BCKROAYGJCQMSL-PBHICJAKSA-N 1 1 365.386 0.820 10 5 FCBEMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)C1 ZINC000600539594 491867725 /nfs/dbraw/zinc/86/77/25/491867725.db2.gz BCKROAYGJCQMSL-RHSMWYFYSA-N 1 1 365.386 0.820 10 5 FCBEMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)C1 ZINC000600539594 491867728 /nfs/dbraw/zinc/86/77/28/491867728.db2.gz BCKROAYGJCQMSL-RHSMWYFYSA-N 1 1 365.386 0.820 10 5 FCBEMO CCn1cc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])n1 ZINC000595384735 491926188 /nfs/dbraw/zinc/92/61/88/491926188.db2.gz LSVDUZVGZIHIRL-GFCCVEGCSA-N 1 1 373.435 0.031 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000595384779 491926922 /nfs/dbraw/zinc/92/69/22/491926922.db2.gz NLNKVTZXSFALLB-CYBMUJFWSA-N 1 1 373.406 0.954 10 5 FCBEMO O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595608686 491945046 /nfs/dbraw/zinc/94/50/46/491945046.db2.gz TYJCSDBBOWWSQJ-NSHDSACASA-N 1 1 374.357 0.876 10 5 FCBEMO O=C(C[N@H+]1CC[C@H](Cn2ccnn2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595608686 491945048 /nfs/dbraw/zinc/94/50/48/491945048.db2.gz TYJCSDBBOWWSQJ-NSHDSACASA-N 1 1 374.357 0.876 10 5 FCBEMO C[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000601782628 491947768 /nfs/dbraw/zinc/94/77/68/491947768.db2.gz YXKSRRQVRIUCOD-CXAGYDPISA-N 1 1 350.419 0.554 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596275938 491981828 /nfs/dbraw/zinc/98/18/28/491981828.db2.gz XANPRYIZJXNSHV-GHMZBOCLSA-N 1 1 358.420 0.134 10 5 FCBEMO COc1cc(OCC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000597625027 492052035 /nfs/dbraw/zinc/05/20/35/492052035.db2.gz OGGIEJLIDINSPS-CYBMUJFWSA-N 1 1 364.402 0.488 10 5 FCBEMO CCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597945607 492074257 /nfs/dbraw/zinc/07/42/57/492074257.db2.gz JOUFDGOBDRKZTI-NSHDSACASA-N 1 1 356.404 0.408 10 5 FCBEMO CCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597946647 492074750 /nfs/dbraw/zinc/07/47/50/492074750.db2.gz RGNZNMIKYQGGCA-LBPRGKRZSA-N 1 1 370.431 0.426 10 5 FCBEMO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000597990293 492076897 /nfs/dbraw/zinc/07/68/97/492076897.db2.gz KYWJPEFSLHBOBE-INIZCTEOSA-N 1 1 359.386 0.674 10 5 FCBEMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000598367078 492096258 /nfs/dbraw/zinc/09/62/58/492096258.db2.gz KTJQBFMGXRITJL-HUUCEWRRSA-N 1 1 363.418 0.941 10 5 FCBEMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452497 492099267 /nfs/dbraw/zinc/09/92/67/492099267.db2.gz KIABKNQVYQDLRT-ZDUSSCGKSA-N 1 1 363.370 0.995 10 5 FCBEMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598507212 492102043 /nfs/dbraw/zinc/10/20/43/492102043.db2.gz RZOOXQCOMFASGB-INIZCTEOSA-N 1 1 372.429 0.724 10 5 FCBEMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598507212 492102045 /nfs/dbraw/zinc/10/20/45/492102045.db2.gz RZOOXQCOMFASGB-INIZCTEOSA-N 1 1 372.429 0.724 10 5 FCBEMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598507213 492102150 /nfs/dbraw/zinc/10/21/50/492102150.db2.gz RZOOXQCOMFASGB-MRXNPFEDSA-N 1 1 372.429 0.724 10 5 FCBEMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598507213 492102152 /nfs/dbraw/zinc/10/21/52/492102152.db2.gz RZOOXQCOMFASGB-MRXNPFEDSA-N 1 1 372.429 0.724 10 5 FCBEMO NS(=O)(=O)c1cccc(NC2CC([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000599094243 492134832 /nfs/dbraw/zinc/13/48/32/492134832.db2.gz FFHMYASRDYYLOX-UHFFFAOYSA-N 1 1 356.404 0.517 10 5 FCBEMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599290755 492155699 /nfs/dbraw/zinc/15/56/99/492155699.db2.gz AKWSMPIBTTVSPB-NSHDSACASA-N 1 1 373.435 0.202 10 5 FCBEMO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599290755 492155700 /nfs/dbraw/zinc/15/57/00/492155700.db2.gz AKWSMPIBTTVSPB-NSHDSACASA-N 1 1 373.435 0.202 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000599542622 492185595 /nfs/dbraw/zinc/18/55/95/492185595.db2.gz COQLWPMFBXMEGR-HIFRSBDPSA-N 1 1 354.407 0.406 10 5 FCBEMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCOCC2)C1 ZINC000600070287 492241442 /nfs/dbraw/zinc/24/14/42/492241442.db2.gz ZJJJPTAITUJEKB-UHFFFAOYSA-N 1 1 362.386 0.304 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000416356969 546911062 /nfs/dbraw/zinc/91/10/62/546911062.db2.gz CMDXGFJPIDXCBO-UHFFFAOYSA-N 1 1 357.388 0.708 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000416356969 546911066 /nfs/dbraw/zinc/91/10/66/546911066.db2.gz CMDXGFJPIDXCBO-UHFFFAOYSA-N 1 1 357.388 0.708 10 5 FCBEMO COCCOCC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000593518959 546969848 /nfs/dbraw/zinc/96/98/48/546969848.db2.gz WNAGJAAWQBGTAV-UHFFFAOYSA-N 1 1 354.407 0.454 10 5 FCBEMO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594477354 546999606 /nfs/dbraw/zinc/99/96/06/546999606.db2.gz BRLZZCNCPCHRES-QWHCGFSZSA-N 1 1 355.416 0.651 10 5 FCBEMO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594477354 546999611 /nfs/dbraw/zinc/99/96/11/546999611.db2.gz BRLZZCNCPCHRES-QWHCGFSZSA-N 1 1 355.416 0.651 10 5 FCBEMO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594767794 547007435 /nfs/dbraw/zinc/00/74/35/547007435.db2.gz QVHIZMVXSPKWAL-GFCCVEGCSA-N 1 1 357.436 0.294 10 5 FCBEMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@](O)(CO)C2)cc1[N+](=O)[O-] ZINC000459731579 547012823 /nfs/dbraw/zinc/01/28/23/547012823.db2.gz SWPFJGIESJTWOE-INIZCTEOSA-N 1 1 354.359 0.466 10 5 FCBEMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)cc1[N+](=O)[O-] ZINC000459731579 547012824 /nfs/dbraw/zinc/01/28/24/547012824.db2.gz SWPFJGIESJTWOE-INIZCTEOSA-N 1 1 354.359 0.466 10 5 FCBEMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917055424 667051379 /nfs/dbraw/zinc/05/13/79/667051379.db2.gz GTQCBHHMDRSECH-CQSZACIVSA-N 1 1 354.432 0.404 10 5 FCBEMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917055424 667051381 /nfs/dbraw/zinc/05/13/81/667051381.db2.gz GTQCBHHMDRSECH-CQSZACIVSA-N 1 1 354.432 0.404 10 5 FCBEMO Cc1nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000073768776 667692621 /nfs/dbraw/zinc/69/26/21/667692621.db2.gz GAHRTSVDRQYEKD-CQSZACIVSA-N 1 1 351.407 0.936 10 5 FCBEMO Cc1nn(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000073768776 667692623 /nfs/dbraw/zinc/69/26/23/667692623.db2.gz GAHRTSVDRQYEKD-CQSZACIVSA-N 1 1 351.407 0.936 10 5 FCBEMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000762555229 667921317 /nfs/dbraw/zinc/92/13/17/667921317.db2.gz OQZIGXFPZLOVNU-CYBMUJFWSA-N 1 1 363.823 0.902 10 5 FCBEMO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000849447351 671347315 /nfs/dbraw/zinc/34/73/15/671347315.db2.gz NHFPSMMUOSRYEY-UHFFFAOYSA-N 1 1 372.403 0.955 10 5 FCBEMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854353650 671574818 /nfs/dbraw/zinc/57/48/18/671574818.db2.gz BRLZPQFOJMAJQD-LBPRGKRZSA-N 1 1 352.366 0.619 10 5 FCBEMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860194577 671874991 /nfs/dbraw/zinc/87/49/91/671874991.db2.gz UIQKGPXSIOWXHM-DOMZBBRYSA-N 1 1 357.432 0.889 10 5 FCBEMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860195089 671875197 /nfs/dbraw/zinc/87/51/97/671875197.db2.gz NKNHYOAZHPWHHA-WFASDCNBSA-N 1 1 357.432 0.889 10 5 FCBEMO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000863550049 672136491 /nfs/dbraw/zinc/13/64/91/672136491.db2.gz MWODTQBGFCAGHB-OLZOCXBDSA-N 1 1 350.379 0.048 10 5 FCBEMO CS(=O)(=O)N1CC(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000929247332 673946001 /nfs/dbraw/zinc/94/60/01/673946001.db2.gz PWCYGKFXQHOSHP-UHFFFAOYSA-N 1 1 354.432 0.608 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1ccccc1F ZINC001266591683 1169789288 /nfs/dbraw/zinc/78/92/88/1169789288.db2.gz TWVYWBLQTHWCHY-RGCMKSIDSA-N 1 1 364.377 0.344 10 5 FCBEMO C[N@@H+](CC(=O)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)CC(C)(C)C ZINC001745511877 1186624640 /nfs/dbraw/zinc/62/46/40/1186624640.db2.gz DHDBJMLFBCKCDI-ZIAGYGMSSA-N 1 1 354.451 0.737 10 5 FCBEMO C[N@H+](CC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)CC(C)(C)C ZINC001745511877 1186624644 /nfs/dbraw/zinc/62/46/44/1186624644.db2.gz DHDBJMLFBCKCDI-ZIAGYGMSSA-N 1 1 354.451 0.737 10 5 FCBEMO C[N@@H+](CC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)CC(C)(C)C ZINC001745511877 1186624648 /nfs/dbraw/zinc/62/46/48/1186624648.db2.gz DHDBJMLFBCKCDI-ZIAGYGMSSA-N 1 1 354.451 0.737 10 5 FCBEMO CC(C)NC(=O)NCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001481998251 1187567863 /nfs/dbraw/zinc/56/78/63/1187567863.db2.gz QAFRECXMOXESHR-HUUCEWRRSA-N 1 1 369.466 0.578 10 5 FCBEMO O=C(NCC=CCNCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001268542584 1187586134 /nfs/dbraw/zinc/58/61/34/1187586134.db2.gz RCHLYFGQARLWOY-YTRGCGJWSA-N 1 1 357.370 0.763 10 5 FCBEMO CC(C)(C)NC(=O)NCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001270225072 1188054832 /nfs/dbraw/zinc/05/48/32/1188054832.db2.gz BKZFQANQKCDNNE-CHWSQXEVSA-N 1 1 369.466 0.720 10 5 FCBEMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000905113904 1195575649 /nfs/dbraw/zinc/57/56/49/1195575649.db2.gz WZJOMPSQWXBNGZ-UHFFFAOYSA-N 1 1 361.446 0.737 10 5 FCBEMO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809655 1199094289 /nfs/dbraw/zinc/09/42/89/1199094289.db2.gz BMMCGSACTYKNLO-HUUCEWRRSA-N 1 1 362.430 0.946 10 5 FCBEMO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(C[NH+]2CCOCC2)C1 ZINC000820249517 1203182146 /nfs/dbraw/zinc/18/21/46/1203182146.db2.gz OJRNBUHTDHQACS-QGZVFWFLSA-N 1 1 374.397 0.878 10 5 FCBEMO C[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001136874586 1203293650 /nfs/dbraw/zinc/29/36/50/1203293650.db2.gz QWOAUUNMKDSTEY-GXTWGEPZSA-N 1 1 373.417 0.540 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001175437058 1206304644 /nfs/dbraw/zinc/30/46/44/1206304644.db2.gz RZEPFLGBBVRYIQ-BETUJISGSA-N 1 1 360.370 0.778 10 5 FCBEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773528971 1206308073 /nfs/dbraw/zinc/30/80/73/1206308073.db2.gz HTPRUNLFVCIJCC-DYVFJYSZSA-N 1 1 373.413 0.594 10 5 FCBEMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001176965501 1206325951 /nfs/dbraw/zinc/32/59/51/1206325951.db2.gz NOBCBTCXCJCKCL-CHWSQXEVSA-N 1 1 365.386 0.816 10 5 FCBEMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001196564433 1208090057 /nfs/dbraw/zinc/09/00/57/1208090057.db2.gz VQDWKUBSLLFJGJ-SWLSCSKDSA-N 1 1 365.386 0.958 10 5 FCBEMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC1CC([NH+]2CCOCC2)C1 ZINC000862105947 1209896613 /nfs/dbraw/zinc/89/66/13/1209896613.db2.gz WJKABCGVWKQJST-UHFFFAOYSA-N 1 1 359.386 0.924 10 5 FCBEMO C[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000779128614 1212001365 /nfs/dbraw/zinc/00/13/65/1212001365.db2.gz YRTGTZHYZUUSIG-LBPRGKRZSA-N 1 1 366.374 0.961 10 5 FCBEMO C[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000779128614 1212001368 /nfs/dbraw/zinc/00/13/68/1212001368.db2.gz YRTGTZHYZUUSIG-LBPRGKRZSA-N 1 1 366.374 0.961 10 5 FCBEMO CN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCCC1 ZINC001490889280 1219233556 /nfs/dbraw/zinc/23/35/56/1219233556.db2.gz DOVRNESIWOXDIZ-QHSBEEBCSA-N 1 1 352.435 0.680 10 5 FCBEMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848765688 1245380310 /nfs/dbraw/zinc/38/03/10/1245380310.db2.gz GWNIXJWPBOKXAE-WDEREUQCSA-N 1 1 366.330 0.545 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3nn[nH]n3)C2)c([N+](=O)[O-])c1 ZINC001473749452 1261494392 /nfs/dbraw/zinc/49/43/92/1261494392.db2.gz HFZKRNAESABTDG-SNVBAGLBSA-N 1 1 361.362 0.935 10 5 FCBEMO C[NH+](C)CC1(C(=O)N2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001288710665 1262030598 /nfs/dbraw/zinc/03/05/98/1262030598.db2.gz HKPIGNVCVAHDSS-HUUCEWRRSA-N 1 1 364.446 0.658 10 5 FCBEMO CN(CC1CC1)C(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485756660 1263514113 /nfs/dbraw/zinc/51/41/13/1263514113.db2.gz JJBCIFLGASBTNS-HUUCEWRRSA-N 1 1 352.435 0.443 10 5 FCBEMO CN(CC1CC1)C(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001485756660 1263514115 /nfs/dbraw/zinc/51/41/15/1263514115.db2.gz JJBCIFLGASBTNS-HUUCEWRRSA-N 1 1 352.435 0.443 10 5 FCBEMO CN(CC1CC1)C(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001485756660 1263514119 /nfs/dbraw/zinc/51/41/19/1263514119.db2.gz JJBCIFLGASBTNS-HUUCEWRRSA-N 1 1 352.435 0.443 10 5 FCBEMO 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CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001653333259 1291336221 /nfs/dbraw/zinc/33/62/21/1291336221.db2.gz MPKBPQOTFFKCKI-OLZOCXBDSA-N 1 1 351.407 0.942 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001653333259 1291336231 /nfs/dbraw/zinc/33/62/31/1291336231.db2.gz MPKBPQOTFFKCKI-OLZOCXBDSA-N 1 1 351.407 0.942 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001653333259 1291336241 /nfs/dbraw/zinc/33/62/41/1291336241.db2.gz MPKBPQOTFFKCKI-OLZOCXBDSA-N 1 1 351.407 0.942 10 5 FCBEMO COC(=O)[C@@H](NC(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)C ZINC001654503832 1291416022 /nfs/dbraw/zinc/41/60/22/1291416022.db2.gz RZRYYIKHRYALQD-RDJZCZTQSA-N 1 1 367.402 0.706 10 5 FCBEMO COC1(OC)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC001654637921 1291424146 /nfs/dbraw/zinc/42/41/46/1291424146.db2.gz ONGXGLQVUMFOIH-CQSZACIVSA-N 1 1 353.375 0.979 10 5 FCBEMO COC(=O)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001655080109 1291454017 /nfs/dbraw/zinc/45/40/17/1291454017.db2.gz ZIJICMIFIFJIDO-OKILXGFUSA-N 1 1 352.343 0.868 10 5 FCBEMO COCC[N@@H+](C)CCN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CC1=O ZINC001655588566 1291476034 /nfs/dbraw/zinc/47/60/34/1291476034.db2.gz FRFKQQCLEIEXRP-NSHDSACASA-N 1 1 355.370 0.720 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001656343553 1291512929 /nfs/dbraw/zinc/51/29/29/1291512929.db2.gz NNOTZZAZCKNZOO-BXUZGUMPSA-N 1 1 368.415 0.311 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001656343553 1291512935 /nfs/dbraw/zinc/51/29/35/1291512935.db2.gz NNOTZZAZCKNZOO-BXUZGUMPSA-N 1 1 368.415 0.311 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC001659506884 1291640141 /nfs/dbraw/zinc/64/01/41/1291640141.db2.gz LQTGEKOUWKZYST-BZNIZROVSA-N 1 1 353.375 0.750 10 5 FCBEMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001171661668 850690820 /nfs/dbraw/zinc/69/08/20/850690820.db2.gz FVZOSSJDWBKRIH-OAHLLOKOSA-N 1 1 351.384 0.890 10 5 FCBEMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001175956307 850778940 /nfs/dbraw/zinc/77/89/40/850778940.db2.gz UFBWVDAAAGAGMJ-STQMWFEESA-N 1 1 373.431 0.206 10 5 FCBEMO CCOC(=O)CN(C)C(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908104 853028204 /nfs/dbraw/zinc/02/82/04/853028204.db2.gz PLZJWGIPDUORSZ-INIZCTEOSA-N 1 1 353.375 0.413 10 5 FCBEMO CCC(C)(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001268036038 859522611 /nfs/dbraw/zinc/52/26/11/859522611.db2.gz KNGDVSCBFSBBMB-CHWSQXEVSA-N 1 1 354.451 0.975 10 5 FCBEMO CC(C)N(CCN(C)CC(=O)NC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284533276 864573367 /nfs/dbraw/zinc/57/33/67/864573367.db2.gz HZCTVGLONDGEHM-HUUCEWRRSA-N 1 1 354.451 0.879 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001293732434 865803829 /nfs/dbraw/zinc/80/38/29/865803829.db2.gz WNLIAGPFZRYFHT-HUUCEWRRSA-N 1 1 352.435 0.589 10 5 FCBEMO CC(C)N(CCCNC(=O)C1([NH+](C)C)CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296708839 865985385 /nfs/dbraw/zinc/98/53/85/865985385.db2.gz SLSWLSKYFGBXFX-ZIAGYGMSSA-N 1 1 354.451 0.879 10 5 FCBEMO O=C(CC[NH+]1CCCCC1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001350866440 866714302 /nfs/dbraw/zinc/71/43/02/866714302.db2.gz ZKSBJNHKMOZDIJ-HUUCEWRRSA-N 1 1 352.435 0.635 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001324409076 869576942 /nfs/dbraw/zinc/57/69/42/869576942.db2.gz SGZCMYQYRCTQLE-JTQLQIEISA-N 1 1 357.388 0.754 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001324409076 869576947 /nfs/dbraw/zinc/57/69/47/869576947.db2.gz SGZCMYQYRCTQLE-JTQLQIEISA-N 1 1 357.388 0.754 10 5 FCBEMO C[C@@H](c1nnc(N2CC[NH+](C3CC3)CC2)n1C[C@H]1CCOC1)[N+](=O)[O-] ZINC001345385392 871316310 /nfs/dbraw/zinc/31/63/10/871316310.db2.gz MOMCOFQJFGJPKL-QWHCGFSZSA-N 1 1 350.423 0.937 10 5 FCBEMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265305196 210091111 /nfs/dbraw/zinc/09/11/11/210091111.db2.gz OFBJKNFVSWONKP-LBPRGKRZSA-N 1 1 370.431 0.855 10 5 FCBEMO C[N@H+]1CC[C@H]2OCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000284999271 213263760 /nfs/dbraw/zinc/26/37/60/213263760.db2.gz YMXUVASUTYVNQU-IAGOWNOFSA-N 1 1 360.414 0.889 10 5 FCBEMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411810306 237083992 /nfs/dbraw/zinc/08/39/92/237083992.db2.gz ZXXFGZHJBXBTIO-ZDUSSCGKSA-N 1 1 354.363 0.364 10 5 FCBEMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411810306 237083999 /nfs/dbraw/zinc/08/39/99/237083999.db2.gz ZXXFGZHJBXBTIO-ZDUSSCGKSA-N 1 1 354.363 0.364 10 5 FCBEMO CN(CC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452386314 249314441 /nfs/dbraw/zinc/31/44/41/249314441.db2.gz FKHDMAGTJJJUIX-CQSZACIVSA-N 1 1 350.419 0.994 10 5 FCBEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000102204460 208167323 /nfs/dbraw/zinc/16/73/23/208167323.db2.gz PQDNCZHQQMODPL-ZDUSSCGKSA-N 1 1 352.391 0.230 10 5 FCBEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000102204457 208168234 /nfs/dbraw/zinc/16/82/34/208168234.db2.gz PQDNCZHQQMODPL-CYBMUJFWSA-N 1 1 352.391 0.230 10 5 FCBEMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060441 488913953 /nfs/dbraw/zinc/91/39/53/488913953.db2.gz LMOASAALNDUNPA-WBMJQRKESA-N 1 1 364.358 0.009 10 5 FCBEMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)N1 ZINC000279076005 488915575 /nfs/dbraw/zinc/91/55/75/488915575.db2.gz NGWHXGOIVJNVBH-MRXNPFEDSA-N 1 1 362.342 0.635 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064345313 488312460 /nfs/dbraw/zinc/31/24/60/488312460.db2.gz QWDSEAIMHNJGMT-QWHCGFSZSA-N 1 1 371.415 0.745 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000064345313 488312461 /nfs/dbraw/zinc/31/24/61/488312461.db2.gz QWDSEAIMHNJGMT-QWHCGFSZSA-N 1 1 371.415 0.745 10 5 FCBEMO COCC[N@H+]1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000068911162 488369807 /nfs/dbraw/zinc/36/98/07/488369807.db2.gz KWSHMNGHRQGRHL-LLVKDONJSA-N 1 1 358.420 0.765 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000268530251 488428321 /nfs/dbraw/zinc/42/83/21/488428321.db2.gz CYQCGZIYVFFNLM-UHFFFAOYSA-N 1 1 352.366 0.970 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000268706081 488443821 /nfs/dbraw/zinc/44/38/21/488443821.db2.gz WDLWMXHUVPIFEC-UHFFFAOYSA-N 1 1 352.366 0.970 10 5 FCBEMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248375728 488495359 /nfs/dbraw/zinc/49/53/59/488495359.db2.gz XUQWMQUFPUMCJW-ILXRZTDVSA-N 1 1 353.419 0.721 10 5 FCBEMO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000271713504 488540947 /nfs/dbraw/zinc/54/09/47/488540947.db2.gz JPQXKAWLPVZRAF-JTQLQIEISA-N 1 1 357.388 0.739 10 5 FCBEMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000271713504 488540948 /nfs/dbraw/zinc/54/09/48/488540948.db2.gz JPQXKAWLPVZRAF-JTQLQIEISA-N 1 1 357.388 0.739 10 5 FCBEMO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000154771130 488747102 /nfs/dbraw/zinc/74/71/02/488747102.db2.gz PSHXMZZGNJTPRI-AWEZNQCLSA-N 1 1 370.475 0.898 10 5 FCBEMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(c2cnccn2)CC1 ZINC000364810357 489004859 /nfs/dbraw/zinc/00/48/59/489004859.db2.gz DRSKADNVJMJRDB-OAHLLOKOSA-N 1 1 361.406 0.543 10 5 FCBEMO COC(=O)c1cc(C)nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000367717677 489210213 /nfs/dbraw/zinc/21/02/13/489210213.db2.gz VNBYWGKHKRJSCD-RYUDHWBXSA-N 1 1 350.375 1.360 10 5 FCBEMO CNC(=O)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000369320960 489228993 /nfs/dbraw/zinc/22/89/93/489228993.db2.gz CUHDXFGJNPAHTJ-UHFFFAOYSA-N 1 1 351.363 0.757 10 5 FCBEMO CNC(=O)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000369320960 489228994 /nfs/dbraw/zinc/22/89/94/489228994.db2.gz CUHDXFGJNPAHTJ-UHFFFAOYSA-N 1 1 351.363 0.757 10 5 FCBEMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000451666496 489516112 /nfs/dbraw/zinc/51/61/12/489516112.db2.gz HDPRRJUCVZVAHZ-CQSZACIVSA-N 1 1 357.432 0.861 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000416304652 489581601 /nfs/dbraw/zinc/58/16/01/489581601.db2.gz ZLYWGTIGJKFCGO-CHWSQXEVSA-N 1 1 364.402 0.238 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000416493338 489601218 /nfs/dbraw/zinc/60/12/18/489601218.db2.gz GWPQJIAUDNXAFB-IINYFYTJSA-N 1 1 369.399 0.706 10 5 FCBEMO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c(C)cc1[N+](=O)[O-] ZINC000416498867 489602264 /nfs/dbraw/zinc/60/22/64/489602264.db2.gz YWDMRCHBWOTXPI-UHFFFAOYSA-N 1 1 357.432 0.947 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457141260 489638061 /nfs/dbraw/zinc/63/80/61/489638061.db2.gz XXRBSVFEXBTXEV-ZDUSSCGKSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457141260 489638062 /nfs/dbraw/zinc/63/80/62/489638062.db2.gz XXRBSVFEXBTXEV-ZDUSSCGKSA-N 1 1 359.386 0.919 10 5 FCBEMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000428538228 489652975 /nfs/dbraw/zinc/65/29/75/489652975.db2.gz WVYBYLBBQSFJTJ-ZDUSSCGKSA-N 1 1 364.402 0.158 10 5 FCBEMO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000428538228 489652976 /nfs/dbraw/zinc/65/29/76/489652976.db2.gz WVYBYLBBQSFJTJ-ZDUSSCGKSA-N 1 1 364.402 0.158 10 5 FCBEMO COC(=O)COc1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000435060956 489979672 /nfs/dbraw/zinc/97/96/72/489979672.db2.gz NQCVRWDFTPYSNT-KRWDZBQOSA-N 1 1 363.370 0.859 10 5 FCBEMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000378243448 490032761 /nfs/dbraw/zinc/03/27/61/490032761.db2.gz MZGHKWBRYKWBAW-LSDHHAIUSA-N 1 1 355.416 0.877 10 5 FCBEMO CN(C)c1nc(N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000537923590 490702875 /nfs/dbraw/zinc/70/28/75/490702875.db2.gz IOTRIQKSMKOQKF-UHFFFAOYSA-N 1 1 360.378 0.147 10 5 FCBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596364600 491984736 /nfs/dbraw/zinc/98/47/36/491984736.db2.gz PHRNMFAMCATQTM-LBPRGKRZSA-N 1 1 373.479 0.926 10 5 FCBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596364600 491984738 /nfs/dbraw/zinc/98/47/38/491984738.db2.gz PHRNMFAMCATQTM-LBPRGKRZSA-N 1 1 373.479 0.926 10 5 FCBEMO C[C@]1(F)C[NH2+]CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000573848782 491458720 /nfs/dbraw/zinc/45/87/20/491458720.db2.gz GZXUMOHFGBUWOE-HNNXBMFYSA-N 1 1 370.406 0.946 10 5 FCBEMO C[C@H]1CC[N@@H+](CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 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O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(O)cc1 ZINC001330594866 1266066272 /nfs/dbraw/zinc/06/62/72/1266066272.db2.gz PIYQQKRLLPPMSP-PZTHBURQSA-N 1 1 362.386 0.480 10 5 FCBEMO COC(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC001176533981 1259393001 /nfs/dbraw/zinc/39/30/01/1259393001.db2.gz MTBSZNAULYHAHE-DZGCQCFKSA-N 1 1 363.370 0.663 10 5 FCBEMO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001280362569 1261061510 /nfs/dbraw/zinc/06/15/10/1261061510.db2.gz BXNWUGOAEVHWQC-KLHDSHLOSA-N 1 1 366.462 0.833 10 5 FCBEMO COC1(OC)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC001473751678 1261493993 /nfs/dbraw/zinc/49/39/93/1261493993.db2.gz KVFZETNDALSBBG-SWLSCSKDSA-N 1 1 356.375 0.390 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3nn[nH]n3)C2)c([N+](=O)[O-])c1 ZINC001473749451 1261494603 /nfs/dbraw/zinc/49/46/03/1261494603.db2.gz HFZKRNAESABTDG-JTQLQIEISA-N 1 1 361.362 0.935 10 5 FCBEMO 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FCBEMO CCN(CC[NH2+]CC(=O)N1CCc2ccccc21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320734128 1263851759 /nfs/dbraw/zinc/85/17/59/1263851759.db2.gz DGTDCYQXNHQDOO-GDBMZVCRSA-N 1 1 360.414 0.679 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCOCC(F)(F)F)CC1 ZINC001502869542 1264183741 /nfs/dbraw/zinc/18/37/41/1264183741.db2.gz UHJBIVCLSZQGAB-GHMZBOCLSA-N 1 1 369.340 0.174 10 5 FCBEMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC001542323673 1267494161 /nfs/dbraw/zinc/49/41/61/1267494161.db2.gz KCXHBSDGKAKMQJ-UHFFFAOYSA-N 1 1 358.358 0.958 10 5 FCBEMO C[N@@H+](CC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001339477542 1268247846 /nfs/dbraw/zinc/24/78/46/1268247846.db2.gz DHJQJCOEKAZRDG-HUUCEWRRSA-N 1 1 366.462 0.904 10 5 FCBEMO C[N@H+](CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001339477542 1268247851 /nfs/dbraw/zinc/24/78/51/1268247851.db2.gz DHJQJCOEKAZRDG-HUUCEWRRSA-N 1 1 366.462 0.904 10 5 FCBEMO C[N@@H+](CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001339477542 1268247859 /nfs/dbraw/zinc/24/78/59/1268247859.db2.gz DHJQJCOEKAZRDG-HUUCEWRRSA-N 1 1 366.462 0.904 10 5 FCBEMO CN(CC[N@@H+](C)CCO)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001557694444 1268966582 /nfs/dbraw/zinc/96/65/82/1268966582.db2.gz JTZJDGOPAFGJNR-UHFFFAOYSA-N 1 1 372.809 0.361 10 5 FCBEMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001557961205 1268995403 /nfs/dbraw/zinc/99/54/03/1268995403.db2.gz UUTQGVRHYCMSSG-ZDUSSCGKSA-N 1 1 363.292 0.694 10 5 FCBEMO CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC001558543537 1269109123 /nfs/dbraw/zinc/10/91/23/1269109123.db2.gz INBJHLVLXDQFLL-UHFFFAOYSA-N 1 1 373.417 0.495 10 5 FCBEMO CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC001558543537 1269109129 /nfs/dbraw/zinc/10/91/29/1269109129.db2.gz INBJHLVLXDQFLL-UHFFFAOYSA-N 1 1 373.417 0.495 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001560088578 1269186257 /nfs/dbraw/zinc/18/62/57/1269186257.db2.gz LWROBEODQLKLIY-TXEJJXNPSA-N 1 1 353.375 0.465 10 5 FCBEMO Cc1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001570414367 1269879743 /nfs/dbraw/zinc/87/97/43/1269879743.db2.gz TZVHAMXHKYJVCE-VXGBXAGGSA-N 1 1 354.432 0.560 10 5 FCBEMO CC(C)N(C)C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713764304 1287296118 /nfs/dbraw/zinc/29/61/18/1287296118.db2.gz XVSDIHTZJGQDLH-HUUCEWRRSA-N 1 1 354.451 0.689 10 5 FCBEMO CC(C)N(C)C(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001713764304 1287296120 /nfs/dbraw/zinc/29/61/20/1287296120.db2.gz XVSDIHTZJGQDLH-HUUCEWRRSA-N 1 1 354.451 0.689 10 5 FCBEMO CC(C)N(C)C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001713764304 1287296123 /nfs/dbraw/zinc/29/61/23/1287296123.db2.gz XVSDIHTZJGQDLH-HUUCEWRRSA-N 1 1 354.451 0.689 10 5 FCBEMO CCn1nnc(C)c1C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001714263892 1287317745 /nfs/dbraw/zinc/31/77/45/1287317745.db2.gz FEWBWYIELAFNLN-HUUCEWRRSA-N 1 1 364.450 0.990 10 5 FCBEMO CCN(CC)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001715215858 1287346888 /nfs/dbraw/zinc/34/68/88/1287346888.db2.gz CMIRZRTWNUVHGT-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CCN(CC)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001715215858 1287346890 /nfs/dbraw/zinc/34/68/90/1287346890.db2.gz CMIRZRTWNUVHGT-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CCN(CC)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001715215858 1287346893 /nfs/dbraw/zinc/34/68/93/1287346893.db2.gz CMIRZRTWNUVHGT-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO Cc1nnsc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001716904385 1287393187 /nfs/dbraw/zinc/39/31/87/1287393187.db2.gz KHLIVMAOQURRSG-GHMZBOCLSA-N 1 1 355.420 0.267 10 5 FCBEMO O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCCCC1 ZINC001717639748 1287431104 /nfs/dbraw/zinc/43/11/04/1287431104.db2.gz YXKWAUVLGNNUNS-KLHDSHLOSA-N 1 1 366.462 0.929 10 5 FCBEMO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001718372028 1287498408 /nfs/dbraw/zinc/49/84/08/1287498408.db2.gz ZGXGPMFUMKDYCP-KBUPBQIOSA-N 1 1 352.435 0.539 10 5 FCBEMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001632434972 1282174818 /nfs/dbraw/zinc/17/48/18/1282174818.db2.gz FOIPCHDPNMXUCW-JTQLQIEISA-N 1 1 358.420 0.702 10 5 FCBEMO Cc1c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001633530440 1282252120 /nfs/dbraw/zinc/25/21/20/1282252120.db2.gz MWGSYVAZPLTKRS-VIFPVBQESA-N 1 1 356.404 0.327 10 5 FCBEMO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001633530440 1282252122 /nfs/dbraw/zinc/25/21/22/1282252122.db2.gz MWGSYVAZPLTKRS-VIFPVBQESA-N 1 1 356.404 0.327 10 5 FCBEMO C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC001634827698 1282358325 /nfs/dbraw/zinc/35/83/25/1282358325.db2.gz IUMQNNUONZEPMJ-VXGBXAGGSA-N 1 1 370.431 0.472 10 5 FCBEMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001636534349 1282514652 /nfs/dbraw/zinc/51/46/52/1282514652.db2.gz BIDZZHHZSYLKTB-UWVGGRQHSA-N 1 1 356.404 0.407 10 5 FCBEMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001636534349 1282514661 /nfs/dbraw/zinc/51/46/61/1282514661.db2.gz BIDZZHHZSYLKTB-UWVGGRQHSA-N 1 1 356.404 0.407 10 5 FCBEMO COc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001724355244 1288437869 /nfs/dbraw/zinc/43/78/69/1288437869.db2.gz IPKCKNCONWNVLK-ZIAGYGMSSA-N 1 1 364.402 0.510 10 5 FCBEMO CC(C)N(CCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001735439297 1288743132 /nfs/dbraw/zinc/74/31/32/1288743132.db2.gz URKWYZHXVQGWLN-HUUCEWRRSA-N 1 1 366.462 0.975 10 5 FCBEMO CCN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737276914 1289524550 /nfs/dbraw/zinc/52/45/50/1289524550.db2.gz HBMHYCQETKKUTR-ZIAGYGMSSA-N 1 1 354.451 0.881 10 5 FCBEMO CC[N@@H+](CCN1CCNC1=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700340349 1289592798 /nfs/dbraw/zinc/59/27/98/1289592798.db2.gz RJZQEBGKSBSQEB-HUUCEWRRSA-N 1 1 367.450 0.237 10 5 FCBEMO CC[N@H+](CCN1CCNC1=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001700340349 1289592806 /nfs/dbraw/zinc/59/28/06/1289592806.db2.gz RJZQEBGKSBSQEB-HUUCEWRRSA-N 1 1 367.450 0.237 10 5 FCBEMO CC[N@@H+](CCN1CCNC1=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001700340349 1289592814 /nfs/dbraw/zinc/59/28/14/1289592814.db2.gz RJZQEBGKSBSQEB-HUUCEWRRSA-N 1 1 367.450 0.237 10 5 FCBEMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001618485017 1289912757 /nfs/dbraw/zinc/91/27/57/1289912757.db2.gz NIJATHPDYPQFTH-GUYCJALGSA-N 1 1 363.418 0.849 10 5 FCBEMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001620547913 1289998675 /nfs/dbraw/zinc/99/86/75/1289998675.db2.gz DDOPTRKPUISAEA-AWEZNQCLSA-N 1 1 353.375 0.925 10 5 FCBEMO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564203 1290001885 /nfs/dbraw/zinc/00/18/85/1290001885.db2.gz CXZQUNUUHREBIL-IIAWOOMASA-N 1 1 365.434 0.923 10 5 FCBEMO C[C@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620616747 1290007421 /nfs/dbraw/zinc/00/74/21/1290007421.db2.gz JUNRFMKKXCBGHU-FZMZJTMJSA-N 1 1 362.386 0.807 10 5 FCBEMO CC[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC001623118042 1290198180 /nfs/dbraw/zinc/19/81/80/1290198180.db2.gz KJXLSQYLQUFGDR-SNVBAGLBSA-N 1 1 356.404 0.408 10 5 FCBEMO CC[N@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC001623118042 1290198184 /nfs/dbraw/zinc/19/81/84/1290198184.db2.gz KJXLSQYLQUFGDR-SNVBAGLBSA-N 1 1 356.404 0.408 10 5 FCBEMO C[N@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC001627289585 1290451791 /nfs/dbraw/zinc/45/17/91/1290451791.db2.gz JNEGXFQKCNOTEY-GFCCVEGCSA-N 1 1 360.370 0.791 10 5 FCBEMO C[NH+]1CCN(CCCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001629746748 1290622228 /nfs/dbraw/zinc/62/22/28/1290622228.db2.gz SULDRGWCAQTDGT-MRXNPFEDSA-N 1 1 350.419 0.772 10 5 FCBEMO CCc1[nH+]ccn1CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001651660510 1291231666 /nfs/dbraw/zinc/23/16/66/1291231666.db2.gz QSWUEHOOFAZKNQ-UHFFFAOYSA-N 1 1 374.401 0.969 10 5 FCBEMO NC(=O)Cc1cccc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001654489284 1291414455 /nfs/dbraw/zinc/41/44/55/1291414455.db2.gz LXUZUNVTKFRELW-UHFFFAOYSA-N 1 1 356.382 0.843 10 5 FCBEMO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001654909595 1291443559 /nfs/dbraw/zinc/44/35/59/1291443559.db2.gz PXJZZPWJPBBIDQ-CABCVRRESA-N 1 1 374.397 0.585 10 5 FCBEMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001655527842 1291471712 /nfs/dbraw/zinc/47/17/12/1291471712.db2.gz UATNQLVVIOCRHU-LBPRGKRZSA-N 1 1 370.431 0.795 10 5 FCBEMO COCC[N@@H+](C)CCN1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CC1=O ZINC001655588565 1291475617 /nfs/dbraw/zinc/47/56/17/1291475617.db2.gz FRFKQQCLEIEXRP-LLVKDONJSA-N 1 1 355.370 0.720 10 5 FCBEMO Cn1c2ccccc2c(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1=O ZINC001655766347 1291483858 /nfs/dbraw/zinc/48/38/58/1291483858.db2.gz HWPGBJHVTYTUKN-UHFFFAOYSA-N 1 1 359.386 0.808 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1cccs1 ZINC001661598469 1291701789 /nfs/dbraw/zinc/70/17/89/1291701789.db2.gz WKFLAXMEAOLSPI-LYIQGSDWSA-N 1 1 352.416 0.266 10 5 FCBEMO C[NH+](C)CCCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001679018874 1292290795 /nfs/dbraw/zinc/29/07/95/1292290795.db2.gz OGZDNFHQXQXNBJ-DTDBQYNISA-N 1 1 366.462 0.690 10 5 FCBEMO CN(CCC[NH2+]CC(=O)NC1CCCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276001131 861286445 /nfs/dbraw/zinc/28/64/45/861286445.db2.gz FAWSMFNBPVPBKO-HUUCEWRRSA-N 1 1 354.451 0.929 10 5 FCBEMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001136144021 849207599 /nfs/dbraw/zinc/20/75/99/849207599.db2.gz DELHXHIOHKLTER-UHFFFAOYSA-N 1 1 352.366 0.603 10 5 FCBEMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CC2)C1 ZINC001136782824 849241635 /nfs/dbraw/zinc/24/16/35/849241635.db2.gz HIODUTIENMIEKJ-SNVBAGLBSA-N 1 1 356.814 0.823 10 5 FCBEMO COc1ccc(OCC[N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001175955896 850778908 /nfs/dbraw/zinc/77/89/08/850778908.db2.gz QKXLUKWQZVNEFP-LBPRGKRZSA-N 1 1 373.431 0.853 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001176629182 850795271 /nfs/dbraw/zinc/79/52/71/850795271.db2.gz GJOWOVOBHJNJRJ-XQQFMLRXSA-N 1 1 356.400 0.311 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001176629182 850795280 /nfs/dbraw/zinc/79/52/80/850795280.db2.gz GJOWOVOBHJNJRJ-XQQFMLRXSA-N 1 1 356.400 0.311 10 5 FCBEMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@](C)(O)C(F)F ZINC001195489298 852771080 /nfs/dbraw/zinc/77/10/80/852771080.db2.gz YUBGVTMNXACMAE-ZDUSSCGKSA-N 1 1 367.374 0.821 10 5 FCBEMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@](C)(O)C(F)F ZINC001195489298 852771085 /nfs/dbraw/zinc/77/10/85/852771085.db2.gz YUBGVTMNXACMAE-ZDUSSCGKSA-N 1 1 367.374 0.821 10 5 FCBEMO C[C@]1([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892538 853181498 /nfs/dbraw/zinc/18/14/98/853181498.db2.gz ZVTGFUXJWFYCGL-MLGOLLRUSA-N 1 1 350.375 0.967 10 5 FCBEMO Cc1nnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)s1 ZINC001271038321 859886265 /nfs/dbraw/zinc/88/62/65/859886265.db2.gz KGUJCDKHXCLUOW-GHMZBOCLSA-N 1 1 355.420 0.267 10 5 FCBEMO CCC1([NH2+]CCNC(=O)C2CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281004232 863461992 /nfs/dbraw/zinc/46/19/92/863461992.db2.gz KWGLHLNNCDELKO-ZIAGYGMSSA-N 1 1 352.435 0.539 10 5 FCBEMO CC[N@H+](CC(=O)N1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281831034 863793078 /nfs/dbraw/zinc/79/30/78/863793078.db2.gz RAESTHJPKNGTLZ-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO CC[N@@H+](CC(=O)N1CCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281831034 863793088 /nfs/dbraw/zinc/79/30/88/863793088.db2.gz RAESTHJPKNGTLZ-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO CC[N@H+](CC(=O)N1CCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281831034 863793097 /nfs/dbraw/zinc/79/30/97/863793097.db2.gz RAESTHJPKNGTLZ-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO CN(CC(C)(C)C[NH2+]CC(=O)N1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282294828 864172804 /nfs/dbraw/zinc/17/28/04/864172804.db2.gz HQTOVPPDMGNCRK-ZIAGYGMSSA-N 1 1 354.451 0.738 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001288419072 864791297 /nfs/dbraw/zinc/79/12/97/864791297.db2.gz XNWFQSAYXVCVLH-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO CCC[N@H+](C)CCC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288419072 864791305 /nfs/dbraw/zinc/79/13/05/864791305.db2.gz XNWFQSAYXVCVLH-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288419072 864791308 /nfs/dbraw/zinc/79/13/08/864791308.db2.gz XNWFQSAYXVCVLH-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001293157574 865779451 /nfs/dbraw/zinc/77/94/51/865779451.db2.gz CNMWZWXVSRFWBC-LLVKDONJSA-N 1 1 356.404 0.084 10 5 FCBEMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001293650102 865801067 /nfs/dbraw/zinc/80/10/67/865801067.db2.gz IJDZTSUBTCXWFQ-NSHDSACASA-N 1 1 370.431 0.656 10 5 FCBEMO CCN(CC[NH2+]CC(=O)Nc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320735162 868256954 /nfs/dbraw/zinc/25/69/54/868256954.db2.gz UJWAUJAKNUDURH-BXUZGUMPSA-N 1 1 352.366 0.868 10 5 FCBEMO C[N@@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)CC(C)(C)C ZINC001344209831 870769843 /nfs/dbraw/zinc/76/98/43/870769843.db2.gz XYXMQPGXLAJOHS-XJFOESAGSA-N 1 1 354.451 0.641 10 5 FCBEMO C[N@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC(C)(C)C ZINC001344209831 870769844 /nfs/dbraw/zinc/76/98/44/870769844.db2.gz XYXMQPGXLAJOHS-XJFOESAGSA-N 1 1 354.451 0.641 10 5 FCBEMO C[N@@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC(C)(C)C ZINC001344209831 870769857 /nfs/dbraw/zinc/76/98/57/870769857.db2.gz XYXMQPGXLAJOHS-XJFOESAGSA-N 1 1 354.451 0.641 10 5 FCBEMO Cc1nn(C)cc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001327634855 870984791 /nfs/dbraw/zinc/98/47/91/870984791.db2.gz MSOOHAFYKXUJLN-ZIAGYGMSSA-N 1 1 351.407 0.149 10 5 FCBEMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285072248 213278222 /nfs/dbraw/zinc/27/82/22/213278222.db2.gz OSNDKRHTRDOVBV-ZIAGYGMSSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285072248 213278224 /nfs/dbraw/zinc/27/82/24/213278224.db2.gz OSNDKRHTRDOVBV-ZIAGYGMSSA-N 1 1 355.416 0.997 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000276998489 212316373 /nfs/dbraw/zinc/31/63/73/212316373.db2.gz WRFMSHCHFNWWCW-NSHDSACASA-N 1 1 357.388 0.754 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000181917333 209124776 /nfs/dbraw/zinc/12/47/76/209124776.db2.gz DXPOITMGIXOWJT-LSDHHAIUSA-N 1 1 351.403 0.741 10 5 FCBEMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000452362477 249312568 /nfs/dbraw/zinc/31/25/68/249312568.db2.gz BKYWWJHYYSAJPM-GFCCVEGCSA-N 1 1 351.359 0.900 10 5 FCBEMO O=[N+]([O-])c1cn(C[C@H](O)C[NH+]2CCOCC2)nc1-c1ccc(F)cn1 ZINC000453025602 249343794 /nfs/dbraw/zinc/34/37/94/249343794.db2.gz UPIKAKDKBZFAEG-GFCCVEGCSA-N 1 1 351.338 0.686 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000068430806 208027215 /nfs/dbraw/zinc/02/72/15/208027215.db2.gz GIWIFJCRTPPBPR-LBPRGKRZSA-N 1 1 351.407 0.811 10 5 FCBEMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000072630721 208038780 /nfs/dbraw/zinc/03/87/80/208038780.db2.gz JUYTXHLZHJGNCI-JKSUJKDBSA-N 1 1 359.386 0.890 10 5 FCBEMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110954920 208273530 /nfs/dbraw/zinc/27/35/30/208273530.db2.gz XTJDQMAHUUOQQE-AWEZNQCLSA-N 1 1 364.402 0.470 10 5 FCBEMO Cn1cc(C[N@@H+]2CCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000109656316 208258918 /nfs/dbraw/zinc/25/89/18/208258918.db2.gz FGTPLGZSVOWSFB-UHFFFAOYSA-N 1 1 361.406 0.649 10 5 FCBEMO Cn1cc(C[N@H+]2CCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000109656316 208258926 /nfs/dbraw/zinc/25/89/26/208258926.db2.gz FGTPLGZSVOWSFB-UHFFFAOYSA-N 1 1 361.406 0.649 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000179405576 209077507 /nfs/dbraw/zinc/07/75/07/209077507.db2.gz YUDMMGOXUNHPTR-ZDUSSCGKSA-N 1 1 374.401 0.704 10 5 FCBEMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301986765 488886766 /nfs/dbraw/zinc/88/67/66/488886766.db2.gz ZKZGCAFELVVOFK-LBPRGKRZSA-N 1 1 359.390 0.556 10 5 FCBEMO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279044304 488912941 /nfs/dbraw/zinc/91/29/41/488912941.db2.gz JRFYRLHXOBSUHA-QGZVFWFLSA-N 1 1 373.369 0.158 10 5 FCBEMO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279044304 488912944 /nfs/dbraw/zinc/91/29/44/488912944.db2.gz JRFYRLHXOBSUHA-QGZVFWFLSA-N 1 1 373.369 0.158 10 5 FCBEMO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000028484008 487710044 /nfs/dbraw/zinc/71/00/44/487710044.db2.gz VALJMONWDYCYKA-UHFFFAOYSA-N 1 1 359.386 0.940 10 5 FCBEMO CN(C)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000075669261 488398322 /nfs/dbraw/zinc/39/83/22/488398322.db2.gz FUHMJCIJHSOYFY-UHFFFAOYSA-N 1 1 371.463 0.680 10 5 FCBEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246802236 488476119 /nfs/dbraw/zinc/47/61/19/488476119.db2.gz RIIXLWXSSZTLQV-OLZOCXBDSA-N 1 1 374.401 0.703 10 5 FCBEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246802236 488476120 /nfs/dbraw/zinc/47/61/20/488476120.db2.gz RIIXLWXSSZTLQV-OLZOCXBDSA-N 1 1 374.401 0.703 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000272285094 488571246 /nfs/dbraw/zinc/57/12/46/488571246.db2.gz DMIXDPSGRALTPU-GJZGRUSLSA-N 1 1 373.413 0.941 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000272285094 488571248 /nfs/dbraw/zinc/57/12/48/488571248.db2.gz DMIXDPSGRALTPU-GJZGRUSLSA-N 1 1 373.413 0.941 10 5 FCBEMO CC[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000264532837 488682722 /nfs/dbraw/zinc/68/27/22/488682722.db2.gz LIHONLUMZKIGEJ-NSHDSACASA-N 1 1 360.370 0.649 10 5 FCBEMO COCC[N@H+]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000264588414 488688079 /nfs/dbraw/zinc/68/80/79/488688079.db2.gz OZJRHTZUWNIBHX-UHFFFAOYSA-N 1 1 365.386 0.967 10 5 FCBEMO C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1 ZINC000161555047 488797120 /nfs/dbraw/zinc/79/71/20/488797120.db2.gz FGPBSEMARZQUEY-GXTWGEPZSA-N 1 1 352.395 0.153 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173831063 488845770 /nfs/dbraw/zinc/84/57/70/488845770.db2.gz CIQJJOZDGWAUDU-OCCSQVGLSA-N 1 1 351.407 0.669 10 5 FCBEMO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@H+]1C[C@@H](C)O ZINC000174637350 488850521 /nfs/dbraw/zinc/85/05/21/488850521.db2.gz WVRCKWZCTRZADK-TZMCWYRMSA-N 1 1 353.423 0.793 10 5 FCBEMO Cc1cnn(C[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000174785093 488851054 /nfs/dbraw/zinc/85/10/54/488851054.db2.gz NLOIHKZRQDZFIM-GJZGRUSLSA-N 1 1 350.379 0.058 10 5 FCBEMO 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366.462 0.929 10 5 FCBEMO CCC(C)(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001716904781 1287393656 /nfs/dbraw/zinc/39/36/56/1287393656.db2.gz QWTPSUBCMWQBAL-CHWSQXEVSA-N 1 1 370.450 0.211 10 5 FCBEMO CCC1([NH2+]CCn2nc(C)nc2C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717237685 1287414578 /nfs/dbraw/zinc/41/45/78/1287414578.db2.gz UTRXPKFVWDQJFY-HUUCEWRRSA-N 1 1 364.450 0.921 10 5 FCBEMO Cn1ccc(C[NH2+]CCCOC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001717518456 1287428500 /nfs/dbraw/zinc/42/85/00/1287428500.db2.gz QHLSYJOBJYCMQM-HZPDHXFCSA-N 1 1 365.434 0.573 10 5 FCBEMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001634436225 1282330615 /nfs/dbraw/zinc/33/06/15/1282330615.db2.gz TWSZBRVYAFTPCF-PHIMTYICSA-N 1 1 353.400 0.632 10 5 FCBEMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C1 ZINC001587229058 1282341859 /nfs/dbraw/zinc/34/18/59/1282341859.db2.gz VSNGQAZTKSZXLS-LBPRGKRZSA-N 1 1 359.390 0.984 10 5 FCBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001635746004 1282429885 /nfs/dbraw/zinc/42/98/85/1282429885.db2.gz LLXVZVQOXPSIFX-PBHICJAKSA-N 1 1 351.403 0.631 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001718931980 1287595149 /nfs/dbraw/zinc/59/51/49/1287595149.db2.gz WYYQDPLKGWEOLF-HUUCEWRRSA-N 1 1 364.446 0.589 10 5 FCBEMO COCC[NH+](CCOC)C1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC001639653765 1282801662 /nfs/dbraw/zinc/80/16/62/1282801662.db2.gz OBQKUCOBAWAQOP-UHFFFAOYSA-N 1 1 369.422 0.332 10 5 FCBEMO C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001684226632 1284147398 /nfs/dbraw/zinc/14/73/98/1284147398.db2.gz YMSLEUSLMKGNPQ-LXTVHRRPSA-N 1 1 352.435 0.395 10 5 FCBEMO O=C(CC[NH+]1CCCCC1)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001703515374 1286115989 /nfs/dbraw/zinc/11/59/89/1286115989.db2.gz UMPPIWDCEKOLMU-HZPDHXFCSA-N 1 1 366.462 0.882 10 5 FCBEMO C[NH+]1CCC(C(=O)NCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CC1 ZINC001703758674 1286135688 /nfs/dbraw/zinc/13/56/88/1286135688.db2.gz CPXCHVBBZGPGIT-HUUCEWRRSA-N 1 1 352.435 0.491 10 5 FCBEMO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001593722059 1286212350 /nfs/dbraw/zinc/21/23/50/1286212350.db2.gz WMBBKXGHDHOPMT-UONOGXRCSA-N 1 1 372.385 0.457 10 5 FCBEMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C12CCC[NH+](CCC1)C2 ZINC001721143218 1288299196 /nfs/dbraw/zinc/29/91/96/1288299196.db2.gz ABGZQOAHQKIUPH-ZIAGYGMSSA-N 1 1 352.435 0.492 10 5 FCBEMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc2c[nH+]cn2c1C ZINC001721143242 1288299589 /nfs/dbraw/zinc/29/95/89/1288299589.db2.gz BBRBBJVHWORZDF-HUUCEWRRSA-N 1 1 359.386 0.886 10 5 FCBEMO C[NH+](C)CCC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001722113657 1288406300 /nfs/dbraw/zinc/40/63/00/1288406300.db2.gz AQJBYCKGIAQSGK-HZPDHXFCSA-N 1 1 366.462 0.833 10 5 FCBEMO CN(CC1CC1)C(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001732322116 1288580869 /nfs/dbraw/zinc/58/08/69/1288580869.db2.gz ZETTWFGZGKOVTQ-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO CC(C)NC(=O)NCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001734195461 1288644670 /nfs/dbraw/zinc/64/46/70/1288644670.db2.gz GLGXHIVKIOPPPZ-ZIAGYGMSSA-N 1 1 367.450 0.284 10 5 FCBEMO CC(C)NC(=O)NCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001734195461 1288644674 /nfs/dbraw/zinc/64/46/74/1288644674.db2.gz GLGXHIVKIOPPPZ-ZIAGYGMSSA-N 1 1 367.450 0.284 10 5 FCBEMO CC(C)NC(=O)NCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001734195461 1288644676 /nfs/dbraw/zinc/64/46/76/1288644676.db2.gz GLGXHIVKIOPPPZ-ZIAGYGMSSA-N 1 1 367.450 0.284 10 5 FCBEMO NC(=O)C[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001700298244 1289591354 /nfs/dbraw/zinc/59/13/54/1289591354.db2.gz BXMQKGHSQRUJQC-HUUCEWRRSA-N 1 1 360.414 0.287 10 5 FCBEMO C[N@H+]1CC[C@@H](CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001625575937 1290351552 /nfs/dbraw/zinc/35/15/52/1290351552.db2.gz HPVVWOQKZSSFTE-LBPRGKRZSA-N 1 1 370.431 0.331 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC001627057505 1290434127 /nfs/dbraw/zinc/43/41/27/1290434127.db2.gz MYQVTJCZLLFUIB-UHFFFAOYSA-N 1 1 352.395 0.094 10 5 FCBEMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001629615713 1290615930 /nfs/dbraw/zinc/61/59/30/1290615930.db2.gz KJRVQWKKDDZRJT-NSHDSACASA-N 1 1 353.379 0.196 10 5 FCBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001648440009 1291120520 /nfs/dbraw/zinc/12/05/20/1291120520.db2.gz IKHYLFBBNLNLIM-OAHLLOKOSA-N 1 1 362.386 0.727 10 5 FCBEMO CN(CC[N@@H+](C)CCO)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC001651240873 1291209704 /nfs/dbraw/zinc/20/97/04/1291209704.db2.gz VROJJPFJHIHVJA-UHFFFAOYSA-N 1 1 361.402 0.920 10 5 FCBEMO COc1ccc(C(=O)NCC(=O)NCc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC001651792926 1291240492 /nfs/dbraw/zinc/24/04/92/1291240492.db2.gz UTCLEIUHVZLANL-UHFFFAOYSA-N 1 1 373.369 0.792 10 5 FCBEMO CNC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001654781403 1291435301 /nfs/dbraw/zinc/43/53/01/1291435301.db2.gz KMYPYARUSTXSQB-STQMWFEESA-N 1 1 352.391 0.728 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001655770321 1291484511 /nfs/dbraw/zinc/48/45/11/1291484511.db2.gz BFPIYJNXNYVCHU-GFCCVEGCSA-N 1 1 370.431 0.842 10 5 FCBEMO O=[N+]([O-])c1ccn(C2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)n1 ZINC001658512156 1291626314 /nfs/dbraw/zinc/62/63/14/1291626314.db2.gz IFHVGCAHQOEMNG-UHFFFAOYSA-N 1 1 358.420 0.368 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001660398033 1291657110 /nfs/dbraw/zinc/65/71/10/1291657110.db2.gz HSRSORSXZNRUNR-AGIUHOORSA-N 1 1 373.431 0.191 10 5 FCBEMO O=C(NC/C=C\C[NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001668822015 1291975410 /nfs/dbraw/zinc/97/54/10/1291975410.db2.gz UWHTXOZJVOOFCW-LHBIUNCVSA-N 1 1 361.398 0.928 10 5 FCBEMO C[N@@H+](CCCN1CCCC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001676049636 1292193134 /nfs/dbraw/zinc/19/31/34/1292193134.db2.gz PCNURUHYWRQAOS-HUUCEWRRSA-N 1 1 352.435 0.587 10 5 FCBEMO C[N@H+](CCCN1CCCC1=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001676049636 1292193137 /nfs/dbraw/zinc/19/31/37/1292193137.db2.gz PCNURUHYWRQAOS-HUUCEWRRSA-N 1 1 352.435 0.587 10 5 FCBEMO C[N@@H+](CCCN1CCCC1=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001676049636 1292193141 /nfs/dbraw/zinc/19/31/41/1292193141.db2.gz PCNURUHYWRQAOS-HUUCEWRRSA-N 1 1 352.435 0.587 10 5 FCBEMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001146196193 849548304 /nfs/dbraw/zinc/54/83/04/849548304.db2.gz IJKMGMUMFDIXNW-JTQLQIEISA-N 1 1 372.813 0.108 10 5 FCBEMO NC(=O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001197385771 853107137 /nfs/dbraw/zinc/10/71/37/853107137.db2.gz YWFUVGCXBZFCLQ-UHFFFAOYSA-N 1 1 350.375 0.890 10 5 FCBEMO CN(C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nccs1 ZINC001264391203 859351991 /nfs/dbraw/zinc/35/19/91/859351991.db2.gz PCAVDVOGQSOYGE-WRWGMCAJSA-N 1 1 367.431 0.256 10 5 FCBEMO COc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)sn1 ZINC001281242991 863493302 /nfs/dbraw/zinc/49/33/02/863493302.db2.gz UOOPMYRANKSVCZ-VXGBXAGGSA-N 1 1 370.431 0.572 10 5 FCBEMO CC(C)(C)CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001318632552 867712133 /nfs/dbraw/zinc/71/21/33/867712133.db2.gz LLTDQHYVLKTZRU-CHWSQXEVSA-N 1 1 354.451 0.833 10 5 FCBEMO CCN(C)C(=O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319876038 868024036 /nfs/dbraw/zinc/02/40/36/868024036.db2.gz DRTRXVVYIJRASF-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO CCN(C)C(=O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319876038 868024046 /nfs/dbraw/zinc/02/40/46/868024046.db2.gz DRTRXVVYIJRASF-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO CCN(C)C(=O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319876038 868024056 /nfs/dbraw/zinc/02/40/56/868024056.db2.gz DRTRXVVYIJRASF-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO CN(CCC[NH2+]CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322504941 868838153 /nfs/dbraw/zinc/83/81/53/868838153.db2.gz GATWPVDCGJDOLU-ZIAGYGMSSA-N 1 1 352.366 0.868 10 5 FCBEMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001323578441 869262246 /nfs/dbraw/zinc/26/22/46/869262246.db2.gz WEWAHZMPNVSJRI-UHFFFAOYSA-N 1 1 352.395 0.049 10 5 FCBEMO CC[C@H](CO)[NH+]1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000266208096 529388030 /nfs/dbraw/zinc/38/80/30/529388030.db2.gz LUCBBLYVMQAJIE-GFCCVEGCSA-N 1 1 372.447 0.396 10 5 FCBEMO Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284923931 213250429 /nfs/dbraw/zinc/25/04/29/213250429.db2.gz HLYYWNCCXLJDLA-LSDHHAIUSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284923931 213250432 /nfs/dbraw/zinc/25/04/32/213250432.db2.gz HLYYWNCCXLJDLA-LSDHHAIUSA-N 1 1 355.416 0.997 10 5 FCBEMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246766096 209397955 /nfs/dbraw/zinc/39/79/55/209397955.db2.gz QYWLUBRVXYWXLN-DZGCQCFKSA-N 1 1 361.406 0.543 10 5 FCBEMO CS(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195338246 209337569 /nfs/dbraw/zinc/33/75/69/209337569.db2.gz LDRXCVLOZVWTFP-GFCCVEGCSA-N 1 1 353.400 0.919 10 5 FCBEMO CS(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195338246 209337571 /nfs/dbraw/zinc/33/75/71/209337571.db2.gz LDRXCVLOZVWTFP-GFCCVEGCSA-N 1 1 353.400 0.919 10 5 FCBEMO Cc1cc(C)c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000191981392 209292290 /nfs/dbraw/zinc/29/22/90/209292290.db2.gz NBJURUCXCGCIOU-UHFFFAOYSA-N 1 1 357.432 0.900 10 5 FCBEMO Cc1cc(C)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000191981392 209292292 /nfs/dbraw/zinc/29/22/92/209292292.db2.gz NBJURUCXCGCIOU-UHFFFAOYSA-N 1 1 357.432 0.900 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931287680 674107408 /nfs/dbraw/zinc/10/74/08/674107408.db2.gz AOJJKHJWEXLBMX-MRXNPFEDSA-N 1 1 353.423 0.339 10 5 FCBEMO Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000276226602 212189556 /nfs/dbraw/zinc/18/95/56/212189556.db2.gz MUPGYSNMMGCRKD-AWEZNQCLSA-N 1 1 366.418 0.538 10 5 FCBEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000181386563 209112528 /nfs/dbraw/zinc/11/25/28/209112528.db2.gz HURVNPNNMNHSIK-AWEZNQCLSA-N 1 1 355.358 0.991 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000419320351 246096749 /nfs/dbraw/zinc/09/67/49/246096749.db2.gz DOSBPFIDWQSOJF-IIAWOOMASA-N 1 1 353.419 0.721 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000419320351 246096761 /nfs/dbraw/zinc/09/67/61/246096761.db2.gz DOSBPFIDWQSOJF-IIAWOOMASA-N 1 1 353.419 0.721 10 5 FCBEMO CC[C@H](CO)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272887239 211627223 /nfs/dbraw/zinc/62/72/23/211627223.db2.gz IMZFJXQHIYFMLV-LLVKDONJSA-N 1 1 358.420 0.135 10 5 FCBEMO COCC[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000106108195 208211033 /nfs/dbraw/zinc/21/10/33/208211033.db2.gz RZVLDXISBJRXTG-ZBFHGGJFSA-N 1 1 353.419 0.987 10 5 FCBEMO COCCN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000106108195 208211044 /nfs/dbraw/zinc/21/10/44/208211044.db2.gz RZVLDXISBJRXTG-ZBFHGGJFSA-N 1 1 353.419 0.987 10 5 FCBEMO COCCN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000106108195 208211049 /nfs/dbraw/zinc/21/10/49/208211049.db2.gz RZVLDXISBJRXTG-ZBFHGGJFSA-N 1 1 353.419 0.987 10 5 FCBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000106396954 208222324 /nfs/dbraw/zinc/22/23/24/208222324.db2.gz KXMWLGSKPDNRJH-CQSZACIVSA-N 1 1 353.423 0.713 10 5 FCBEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000179405585 209078325 /nfs/dbraw/zinc/07/83/25/209078325.db2.gz YUDMMGOXUNHPTR-CYBMUJFWSA-N 1 1 374.401 0.704 10 5 FCBEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2cccnc2[N+](=O)[O-])C1 ZINC000027267829 487692026 /nfs/dbraw/zinc/69/20/26/487692026.db2.gz ONACVJPENQVOIG-ZDUSSCGKSA-N 1 1 352.391 0.842 10 5 FCBEMO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000048245481 488064645 /nfs/dbraw/zinc/06/46/45/488064645.db2.gz QKAINIPEXPOIFS-UHFFFAOYSA-N 1 1 360.374 0.335 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268711568 488444344 /nfs/dbraw/zinc/44/43/44/488444344.db2.gz XDYPBBMDPGISAC-UHFFFAOYSA-N 1 1 364.402 0.596 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000272285098 488571201 /nfs/dbraw/zinc/57/12/01/488571201.db2.gz 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O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595385266 491926848 /nfs/dbraw/zinc/92/68/48/491926848.db2.gz XYOKCRSKZLHVML-CQSZACIVSA-N 1 1 355.416 0.815 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595606523 491944633 /nfs/dbraw/zinc/94/46/33/491944633.db2.gz HKQILMQZKLYASO-CYBMUJFWSA-N 1 1 365.415 0.982 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595606523 491944636 /nfs/dbraw/zinc/94/46/36/491944636.db2.gz HKQILMQZKLYASO-CYBMUJFWSA-N 1 1 365.415 0.982 10 5 FCBEMO O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000595912257 491961153 /nfs/dbraw/zinc/96/11/53/491961153.db2.gz XVKOZPALEJISAL-CQSZACIVSA-N 1 1 374.449 0.804 10 5 FCBEMO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596507367 491988265 /nfs/dbraw/zinc/98/82/65/491988265.db2.gz XELRTZQUVNHHHW-CQSZACIVSA-N 1 1 352.395 0.032 10 5 FCBEMO 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ZINC000599663939 492197423 /nfs/dbraw/zinc/19/74/23/492197423.db2.gz IVGSEUYJCGMHGZ-ZDUSSCGKSA-N 1 1 350.375 0.808 10 5 FCBEMO CN(C)c1nc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000610131049 492235580 /nfs/dbraw/zinc/23/55/80/492235580.db2.gz SNOWLLBKCSPFAK-UHFFFAOYSA-N 1 1 366.403 0.841 10 5 FCBEMO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611335201 492285923 /nfs/dbraw/zinc/28/59/23/492285923.db2.gz WGJXMMXWPQMZAN-ZDUSSCGKSA-N 1 1 350.423 0.569 10 5 FCBEMO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000611335201 492285924 /nfs/dbraw/zinc/28/59/24/492285924.db2.gz WGJXMMXWPQMZAN-ZDUSSCGKSA-N 1 1 350.423 0.569 10 5 FCBEMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593670364 546988372 /nfs/dbraw/zinc/98/83/72/546988372.db2.gz LYWXLUWIXYAFJX-QWHCGFSZSA-N 1 1 354.359 0.728 10 5 FCBEMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593670364 546988375 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1 368.459 0.447 10 5 FCBEMO C[NH+](C)CCN1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1=O ZINC000845628328 671029553 /nfs/dbraw/zinc/02/95/53/671029553.db2.gz BQRHEBVIRBIRTL-UHFFFAOYSA-N 1 1 370.431 0.209 10 5 FCBEMO CCc1noc(C[C@@]2(O)CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000856674671 671694581 /nfs/dbraw/zinc/69/45/81/671694581.db2.gz NSOYGFFAOHZZSP-HNNXBMFYSA-N 1 1 350.379 0.806 10 5 FCBEMO CC(C)CC(=O)N1CCC(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001266696926 1170090459 /nfs/dbraw/zinc/09/04/59/1170090459.db2.gz XBHUFESANKMOAG-HZPDHXFCSA-N 1 1 368.478 0.984 10 5 FCBEMO C[N@H+](CC(=O)N1CCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001481514551 1186214996 /nfs/dbraw/zinc/21/49/96/1186214996.db2.gz ZETXBDPFYDAPIF-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO C[N@@H+](CC(=O)N1CCCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001481514551 1186215002 /nfs/dbraw/zinc/21/50/02/1186215002.db2.gz ZETXBDPFYDAPIF-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO C[N@H+](CC(=O)N1CCCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001481514551 1186215008 /nfs/dbraw/zinc/21/50/08/1186215008.db2.gz ZETXBDPFYDAPIF-HUUCEWRRSA-N 1 1 352.435 0.444 10 5 FCBEMO COCC[N@@H+](CCn1cccn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269639565 1187860645 /nfs/dbraw/zinc/86/06/45/1187860645.db2.gz FWSCMMCZLGLYQH-HZPDHXFCSA-N 1 1 365.434 0.488 10 5 FCBEMO COCC[N@H+](CCn1cccn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001269639565 1187860646 /nfs/dbraw/zinc/86/06/46/1187860646.db2.gz FWSCMMCZLGLYQH-HZPDHXFCSA-N 1 1 365.434 0.488 10 5 FCBEMO COCC[N@@H+](CCn1cccn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001269639565 1187860647 /nfs/dbraw/zinc/86/06/47/1187860647.db2.gz FWSCMMCZLGLYQH-HZPDHXFCSA-N 1 1 365.434 0.488 10 5 FCBEMO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392482 1196719591 /nfs/dbraw/zinc/71/95/91/1196719591.db2.gz HCXPOGFAHAWBOQ-UONOGXRCSA-N 1 1 357.370 0.672 10 5 FCBEMO COCCOCC[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000593117686 1196750067 /nfs/dbraw/zinc/75/00/67/1196750067.db2.gz RECLRRAZUABGPD-UHFFFAOYSA-N 1 1 366.418 0.474 10 5 FCBEMO O=C(CC[NH+]1CCCCC1)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001488624818 1208546655 /nfs/dbraw/zinc/54/66/55/1208546655.db2.gz BNSZHUQABJJWHE-HZPDHXFCSA-N 1 1 364.446 0.803 10 5 FCBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856553448 1209715759 /nfs/dbraw/zinc/71/57/59/1209715759.db2.gz CKROLNAMQVHAKC-JKSUJKDBSA-N 1 1 371.397 0.607 10 5 FCBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856553448 1209715769 /nfs/dbraw/zinc/71/57/69/1209715769.db2.gz CKROLNAMQVHAKC-JKSUJKDBSA-N 1 1 371.397 0.607 10 5 FCBEMO C[N@H+]1C[C@@H]2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H]2C1 ZINC000794928577 1209998237 /nfs/dbraw/zinc/99/82/37/1209998237.db2.gz JCGFWAMPYKBFKH-MAUKXSAKSA-N 1 1 373.457 0.879 10 5 FCBEMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000866708798 1210003424 /nfs/dbraw/zinc/00/34/24/1210003424.db2.gz GXTSPYLZDJTDRP-IMJJTQAJSA-N 1 1 362.386 0.841 10 5 FCBEMO C[NH+](C)CCCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001335571059 1259721272 /nfs/dbraw/zinc/72/12/72/1259721272.db2.gz YXVLEKOHVDTAED-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO CCCn1nccc1NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001265477039 1260414001 /nfs/dbraw/zinc/41/40/01/1260414001.db2.gz ZAIZCGDFYKHMET-FDYHWXHSSA-N 1 1 364.406 0.134 10 5 FCBEMO Cc1ncccc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001279431544 1260868816 /nfs/dbraw/zinc/86/88/16/1260868816.db2.gz PSBRPKVJDBKZBX-IAGOWNOFSA-N 1 1 361.446 0.725 10 5 FCBEMO O=C(C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1)N1CCC1 ZINC001279709663 1260918599 /nfs/dbraw/zinc/91/85/99/1260918599.db2.gz DRDJUHNVKWEENL-UKRRQHHQSA-N 1 1 364.377 0.429 10 5 FCBEMO CC1CC[NH+](CC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)CC1 ZINC001285122233 1261813339 /nfs/dbraw/zinc/81/33/39/1261813339.db2.gz OHXRKRHXSPUBIA-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO C[NH+](C)Cc1cccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001285924079 1261887123 /nfs/dbraw/zinc/88/71/23/1261887123.db2.gz ULHGOIGVEUWTPJ-HUUCEWRRSA-N 1 1 360.414 0.792 10 5 FCBEMO Cn1cc(-c2cc(C[N@@H+](C)CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])on2)cn1 ZINC001316823945 1263491473 /nfs/dbraw/zinc/49/14/73/1263491473.db2.gz SEDIETMIKNZZDN-UKRRQHHQSA-N 1 1 362.390 0.678 10 5 FCBEMO Cn1cc(-c2cc(C[N@H+](C)CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])on2)cn1 ZINC001316823945 1263491479 /nfs/dbraw/zinc/49/14/79/1263491479.db2.gz SEDIETMIKNZZDN-UKRRQHHQSA-N 1 1 362.390 0.678 10 5 FCBEMO Cn1cc(-c2cc(C[N@@H+](C)CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])on2)cn1 ZINC001316823945 1263491485 /nfs/dbraw/zinc/49/14/85/1263491485.db2.gz SEDIETMIKNZZDN-UKRRQHHQSA-N 1 1 362.390 0.678 10 5 FCBEMO Cc1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC001484953455 1263494201 /nfs/dbraw/zinc/49/42/01/1263494201.db2.gz UJLQKIRTYBEJRS-CHWSQXEVSA-N 1 1 354.432 0.560 10 5 FCBEMO CN(CCN1CCN(Cc2ccc(F)cn2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317819007 1263523679 /nfs/dbraw/zinc/52/36/79/1263523679.db2.gz OLOUWZGZOOLBOG-HZPDHXFCSA-N 1 1 365.409 0.462 10 5 FCBEMO CN(CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492366749 1263650225 /nfs/dbraw/zinc/65/02/25/1263650225.db2.gz ACYKOESFLAQAQF-ZIAGYGMSSA-N 1 1 354.451 0.881 10 5 FCBEMO CCCCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001494197338 1263757394 /nfs/dbraw/zinc/75/73/94/1263757394.db2.gz VVYCCAVWNHVXRQ-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO CCCCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001494197338 1263757402 /nfs/dbraw/zinc/75/74/02/1263757402.db2.gz VVYCCAVWNHVXRQ-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO CCCCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001494197338 1263757412 /nfs/dbraw/zinc/75/74/12/1263757412.db2.gz VVYCCAVWNHVXRQ-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO C[N@@H+](CCNC(=O)C1CC1)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001496501635 1263879250 /nfs/dbraw/zinc/87/92/50/1263879250.db2.gz MYGVLBJZKSCXKX-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO C[N@H+](CCNC(=O)C1CC1)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001496501635 1263879260 /nfs/dbraw/zinc/87/92/60/1263879260.db2.gz MYGVLBJZKSCXKX-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO C[N@@H+](CCNC(=O)C1CC1)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001496501635 1263879268 /nfs/dbraw/zinc/87/92/68/1263879268.db2.gz MYGVLBJZKSCXKX-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc2c[nH+]cn2c1 ZINC001497256282 1263920151 /nfs/dbraw/zinc/92/01/51/1263920151.db2.gz GAEQAFVWCXRJEX-HUUCEWRRSA-N 1 1 359.386 0.968 10 5 FCBEMO Cc1csc(NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001498544927 1263976578 /nfs/dbraw/zinc/97/65/78/1263976578.db2.gz APVYWAQDXBWFEB-GHMZBOCLSA-N 1 1 355.420 0.493 10 5 FCBEMO C[NH+](C)CCCC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001500004335 1264052199 /nfs/dbraw/zinc/05/21/99/1264052199.db2.gz PNHQTAQDFUGEDN-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2cncc(F)c2)CC1 ZINC001502869268 1264184128 /nfs/dbraw/zinc/18/41/28/1264184128.db2.gz JVJPIPIJMNFHKY-ZIAGYGMSSA-N 1 1 352.366 0.329 10 5 FCBEMO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccccc1F ZINC001506883719 1264346034 /nfs/dbraw/zinc/34/60/34/1264346034.db2.gz JXVOZBIYGSSFLN-RTWAVKEYSA-N 1 1 364.377 0.914 10 5 FCBEMO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C[NH+](C)C ZINC001534450924 1267264104 /nfs/dbraw/zinc/26/41/04/1267264104.db2.gz BMEWTNRSFWNXJT-ZDUSSCGKSA-N 1 1 373.431 0.695 10 5 FCBEMO CC[N@@H+](C)CCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001340461769 1268555489 /nfs/dbraw/zinc/55/54/89/1268555489.db2.gz KAEXSWOGMHDYQM-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO CC[N@H+](C)CCC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340461769 1268555492 /nfs/dbraw/zinc/55/54/92/1268555492.db2.gz KAEXSWOGMHDYQM-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO CC[N@@H+](C)CCC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340461769 1268555499 /nfs/dbraw/zinc/55/54/99/1268555499.db2.gz KAEXSWOGMHDYQM-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO NC(=O)C1(N2CCCCC2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001560107297 1269187888 /nfs/dbraw/zinc/18/78/88/1269187888.db2.gz ZLAZNIOLIDHSQN-UHFFFAOYSA-N 1 1 350.423 0.597 10 5 FCBEMO O=C(NCCN1CC[NH+](CCc2cccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001566649275 1269654636 /nfs/dbraw/zinc/65/46/36/1269654636.db2.gz NUEPWRWACQOVKR-HUUCEWRRSA-N 1 1 352.460 0.690 10 5 FCBEMO CCN(CC[NH2+]CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568742249 1269747549 /nfs/dbraw/zinc/74/75/49/1269747549.db2.gz OVBBMOFZKPILME-ZIAGYGMSSA-N 1 1 352.366 0.868 10 5 FCBEMO CN(Cc1ccco1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001569400131 1269781385 /nfs/dbraw/zinc/78/13/85/1269781385.db2.gz IPEVBEMQJSVJDW-CHWSQXEVSA-N 1 1 350.375 0.142 10 5 FCBEMO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001569875363 1269812420 /nfs/dbraw/zinc/81/24/20/1269812420.db2.gz BCNVYXYXLMCVDQ-XJFOESAGSA-N 1 1 352.435 0.347 10 5 FCBEMO CCC(C)(C)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001569875363 1269812435 /nfs/dbraw/zinc/81/24/35/1269812435.db2.gz BCNVYXYXLMCVDQ-XJFOESAGSA-N 1 1 352.435 0.347 10 5 FCBEMO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001569875363 1269812440 /nfs/dbraw/zinc/81/24/40/1269812440.db2.gz BCNVYXYXLMCVDQ-XJFOESAGSA-N 1 1 352.435 0.347 10 5 FCBEMO CC(C)(C)NC(=O)NCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001570373136 1269874137 /nfs/dbraw/zinc/87/41/37/1269874137.db2.gz KUNIGPZMZZFHBY-CHWSQXEVSA-N 1 1 369.466 0.720 10 5 FCBEMO C[NH+](C)CCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001571907318 1269980471 /nfs/dbraw/zinc/98/04/71/1269980471.db2.gz BAOKUYKTWMOKQP-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(F)c1 ZINC001713159071 1287267967 /nfs/dbraw/zinc/26/79/67/1287267967.db2.gz NYIKUTPVZHWIES-RTWAVKEYSA-N 1 1 364.377 0.975 10 5 FCBEMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403850 1282243398 /nfs/dbraw/zinc/24/33/98/1282243398.db2.gz NJXJXYGRPHPFPR-CJNGLKHVSA-N 1 1 350.419 0.770 10 5 FCBEMO CN(CC[N@@H+](C)CCO)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001585898472 1282254615 /nfs/dbraw/zinc/25/46/15/1282254615.db2.gz BQIGATCCWBIABN-UHFFFAOYSA-N 1 1 362.390 0.231 10 5 FCBEMO C[N@H+]1CC[C@@H](CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001633693919 1282267969 /nfs/dbraw/zinc/26/79/69/1282267969.db2.gz KPEORKBWCDYUIQ-LBPRGKRZSA-N 1 1 355.416 0.827 10 5 FCBEMO O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001639836420 1282819796 /nfs/dbraw/zinc/81/97/96/1282819796.db2.gz SWYJDLUVFANWEX-CYBMUJFWSA-N 1 1 358.358 0.067 10 5 FCBEMO O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001639836420 1282819807 /nfs/dbraw/zinc/81/98/07/1282819807.db2.gz SWYJDLUVFANWEX-CYBMUJFWSA-N 1 1 358.358 0.067 10 5 FCBEMO CN(CCNC(=O)c1ccccc1CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704226015 1286199318 /nfs/dbraw/zinc/19/93/18/1286199318.db2.gz CUQAOGSSGHWKKB-HZPDHXFCSA-N 1 1 362.430 0.644 10 5 FCBEMO C[NH+](C)CC1(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001705037044 1286338949 /nfs/dbraw/zinc/33/89/49/1286338949.db2.gz ZILINCDRYDOZAX-YOVCOIKASA-N 1 1 366.462 0.952 10 5 FCBEMO C[NH+]1CCC(C(=O)NCC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001705444518 1286394513 /nfs/dbraw/zinc/39/45/13/1286394513.db2.gz ZVDQTOXPFILWOG-HUUCEWRRSA-N 1 1 366.462 0.738 10 5 FCBEMO CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc(C[NH+](C)C)c1 ZINC001721705772 1288369638 /nfs/dbraw/zinc/36/96/38/1288369638.db2.gz KXBRCAORLIKLDQ-HZPDHXFCSA-N 1 1 362.430 0.944 10 5 FCBEMO Cc1csc(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)n1 ZINC001724917745 1288455892 /nfs/dbraw/zinc/45/58/92/1288455892.db2.gz WPUBTGKAGSQTAO-VXGBXAGGSA-N 1 1 354.432 0.872 10 5 FCBEMO COc1ncccc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001724974544 1288457234 /nfs/dbraw/zinc/45/72/34/1288457234.db2.gz BMILOIRHWIDWBN-ZIAGYGMSSA-N 1 1 364.402 0.199 10 5 FCBEMO Cc1ncsc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001724978289 1288457306 /nfs/dbraw/zinc/45/73/06/1288457306.db2.gz VRRCXDHWUDBSOM-VXGBXAGGSA-N 1 1 354.432 0.560 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001724975969 1288457759 /nfs/dbraw/zinc/45/77/59/1288457759.db2.gz KQOKKJAPRWOPHF-HUUCEWRRSA-N 1 1 351.378 0.934 10 5 FCBEMO CCN(CC)C(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001725224760 1288462645 /nfs/dbraw/zinc/46/26/45/1288462645.db2.gz VQADZLHDMPPMFC-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(=O)NC(C)(C)C ZINC001731306603 1288551518 /nfs/dbraw/zinc/55/15/18/1288551518.db2.gz BIVAIJAJHNGMOF-VXGBXAGGSA-N 1 1 371.438 0.104 10 5 FCBEMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC(=O)NC(C)(C)C ZINC001731306603 1288551521 /nfs/dbraw/zinc/55/15/21/1288551521.db2.gz BIVAIJAJHNGMOF-VXGBXAGGSA-N 1 1 371.438 0.104 10 5 FCBEMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC(=O)NC(C)(C)C ZINC001731306603 1288551523 /nfs/dbraw/zinc/55/15/23/1288551523.db2.gz BIVAIJAJHNGMOF-VXGBXAGGSA-N 1 1 371.438 0.104 10 5 FCBEMO CN(CCC[NH2+]Cc1cc(-c2cnn(C)c2)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733098449 1288602392 /nfs/dbraw/zinc/60/23/92/1288602392.db2.gz ATKIKWTUPQLMKP-UKRRQHHQSA-N 1 1 362.390 0.678 10 5 FCBEMO CNC(=O)c1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001700186011 1289586305 /nfs/dbraw/zinc/58/63/05/1289586305.db2.gz UOIBGNFDZRJYOO-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO CNC(=O)c1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001700186011 1289586310 /nfs/dbraw/zinc/58/63/10/1289586310.db2.gz UOIBGNFDZRJYOO-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO CNC(=O)c1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001700186011 1289586317 /nfs/dbraw/zinc/58/63/17/1289586317.db2.gz UOIBGNFDZRJYOO-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC001700631483 1289599039 /nfs/dbraw/zinc/59/90/39/1289599039.db2.gz FIVCNKFLAXYXDR-KLHDSHLOSA-N 1 1 366.462 0.833 10 5 FCBEMO CC(C)N(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001739082218 1289798719 /nfs/dbraw/zinc/79/87/19/1289798719.db2.gz XZWWCMSQNGRTBJ-ZIAGYGMSSA-N 1 1 354.451 0.689 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@H+](C)[C@H](CO)C1 ZINC001620480803 1289992153 /nfs/dbraw/zinc/99/21/53/1289992153.db2.gz WGJJAMVREQLUGG-AAEUAGOBSA-N 1 1 352.391 0.539 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001620480803 1289992162 /nfs/dbraw/zinc/99/21/62/1289992162.db2.gz WGJJAMVREQLUGG-AAEUAGOBSA-N 1 1 352.391 0.539 10 5 FCBEMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001620548003 1289999660 /nfs/dbraw/zinc/99/96/60/1289999660.db2.gz HGKMMAGVKRIBKX-HNNXBMFYSA-N 1 1 365.386 0.852 10 5 FCBEMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)[C@H]2C1 ZINC001623651515 1290227751 /nfs/dbraw/zinc/22/77/51/1290227751.db2.gz APZUZNPPIFCDLY-LEWSCRJBSA-N 1 1 357.374 0.641 10 5 FCBEMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001624276686 1290262643 /nfs/dbraw/zinc/26/26/43/1290262643.db2.gz IFCPLWNEKFBVER-QWRGUYRKSA-N 1 1 370.431 0.797 10 5 FCBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001626362907 1290393644 /nfs/dbraw/zinc/39/36/44/1290393644.db2.gz DXEOQMSAQGQBFK-JTQLQIEISA-N 1 1 356.404 0.314 10 5 FCBEMO CN(CC(=O)NC[C@@H]1CC[N@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001626482314 1290400148 /nfs/dbraw/zinc/40/01/48/1290400148.db2.gz UDCNGHUBMIZFFS-LBPRGKRZSA-N 1 1 356.404 0.036 10 5 FCBEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001627802147 1290486893 /nfs/dbraw/zinc/48/68/93/1290486893.db2.gz HGTRCQMWHXHILU-CYBMUJFWSA-N 1 1 359.390 0.151 10 5 FCBEMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001628254161 1290520581 /nfs/dbraw/zinc/52/05/81/1290520581.db2.gz UVYVGRFIYHUKSP-UHFFFAOYSA-N 1 1 351.407 0.793 10 5 FCBEMO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001628390454 1290531082 /nfs/dbraw/zinc/53/10/82/1290531082.db2.gz RRYMWIJGSFCMMF-WFASDCNBSA-N 1 1 364.402 0.537 10 5 FCBEMO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1C[N@@H+](C)CCN1C ZINC001628390697 1290531713 /nfs/dbraw/zinc/53/17/13/1290531713.db2.gz XUIBHJQKPGUZQO-WBMJQRKESA-N 1 1 373.417 0.540 10 5 FCBEMO CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@H+]1C ZINC001643560297 1290904406 /nfs/dbraw/zinc/90/44/06/1290904406.db2.gz ADNFAVXFZKZSPW-ZDUSSCGKSA-N 1 1 370.431 0.426 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC001644250760 1290949739 /nfs/dbraw/zinc/94/97/39/1290949739.db2.gz CPJGQDOUGDSMGV-QWHCGFSZSA-N 1 1 351.407 0.715 10 5 FCBEMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001645220036 1291010042 /nfs/dbraw/zinc/01/00/42/1291010042.db2.gz CTTJYMMPNVQDEP-YVEFUNNKSA-N 1 1 361.402 0.975 10 5 FCBEMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CCOCCO ZINC001650939946 1291186192 /nfs/dbraw/zinc/18/61/92/1291186192.db2.gz VQWBNAHKMRQKIT-UHFFFAOYSA-N 1 1 362.386 0.814 10 5 FCBEMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC([NH2+]C2COC2)C1 ZINC001652949355 1291313218 /nfs/dbraw/zinc/31/32/18/1291313218.db2.gz KIKNPEQPMJRNFJ-UHFFFAOYSA-N 1 1 350.331 0.635 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001654390675 1291409119 /nfs/dbraw/zinc/40/91/19/1291409119.db2.gz GJCFLFCNOSJUGW-SWLSCSKDSA-N 1 1 367.402 0.997 10 5 FCBEMO C[C@]12C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC001654478823 1291412584 /nfs/dbraw/zinc/41/25/84/1291412584.db2.gz UGNDNDCGSSWZCZ-CALCHBBNSA-N 1 1 360.370 0.908 10 5 FCBEMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001655354894 1291465215 /nfs/dbraw/zinc/46/52/15/1291465215.db2.gz GXNROPOFDKDZMM-SDDRHHMPSA-N 1 1 360.370 0.777 10 5 FCBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001655354894 1291465222 /nfs/dbraw/zinc/46/52/22/1291465222.db2.gz GXNROPOFDKDZMM-SDDRHHMPSA-N 1 1 360.370 0.777 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001660658855 1291668268 /nfs/dbraw/zinc/66/82/68/1291668268.db2.gz ZEAHSQSACPIPMT-YNEHKIRRSA-N 1 1 367.402 0.853 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001660658855 1291668273 /nfs/dbraw/zinc/66/82/73/1291668273.db2.gz ZEAHSQSACPIPMT-YNEHKIRRSA-N 1 1 367.402 0.853 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CCCCCC1 ZINC001661598314 1291701823 /nfs/dbraw/zinc/70/18/23/1291701823.db2.gz QXXGCSINWVTGQR-LXTVHRRPSA-N 1 1 352.435 0.727 10 5 FCBEMO O=C(NC/C=C/C[NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001668822016 1291975295 /nfs/dbraw/zinc/97/52/95/1291975295.db2.gz UWHTXOZJVOOFCW-RIVGAVQESA-N 1 1 361.398 0.928 10 5 FCBEMO Cn1cc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000745973085 836158471 /nfs/dbraw/zinc/15/84/71/836158471.db2.gz OTCHTEAFBVWBNQ-UHFFFAOYSA-N 1 1 366.403 0.302 10 5 FCBEMO 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CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823980342 1203280860 /nfs/dbraw/zinc/28/08/60/1203280860.db2.gz LGWPVYUTVXBAEE-UHFFFAOYSA-N 1 1 364.406 0.805 10 5 FCBEMO COC(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001136874622 1203294004 /nfs/dbraw/zinc/29/40/04/1203294004.db2.gz RPGKYTWWOYWVBB-IAQYHMDHSA-N 1 1 364.402 0.746 10 5 FCBEMO CN1CC[N@H+](C)C[C@@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863504523 1209943841 /nfs/dbraw/zinc/94/38/41/1209943841.db2.gz QOOQSOCYUCFXRP-PBHICJAKSA-N 1 1 361.402 0.608 10 5 FCBEMO CN1CC[N@@H+](C)C[C@@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863504523 1209943845 /nfs/dbraw/zinc/94/38/45/1209943845.db2.gz QOOQSOCYUCFXRP-PBHICJAKSA-N 1 1 361.402 0.608 10 5 FCBEMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001149055840 1210879664 /nfs/dbraw/zinc/87/96/64/1210879664.db2.gz DBGDSIPYHHYXQJ-ZIAGYGMSSA-N 1 1 363.418 0.859 10 5 FCBEMO C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1CCO ZINC000779316704 1212494162 /nfs/dbraw/zinc/49/41/62/1212494162.db2.gz KDUWTPYUGAWULQ-BLLLJJGKSA-N 1 1 362.386 0.613 10 5 FCBEMO C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1CCO ZINC000779316704 1212494165 /nfs/dbraw/zinc/49/41/65/1212494165.db2.gz KDUWTPYUGAWULQ-BLLLJJGKSA-N 1 1 362.386 0.613 10 5 FCBEMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001164123319 1223235586 /nfs/dbraw/zinc/23/55/86/1223235586.db2.gz HKYCKLJMCOVZQF-NWDGAFQWSA-N 1 1 363.370 0.647 10 5 FCBEMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306347 1245364257 /nfs/dbraw/zinc/36/42/57/1245364257.db2.gz PMGOUBBMCYXWJB-OZVIIMIRSA-N 1 1 360.370 0.365 10 5 FCBEMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001295839501 1262781304 /nfs/dbraw/zinc/78/13/04/1262781304.db2.gz NDJZJMGAKOPLAF-UHFFFAOYSA-N 1 1 374.401 0.704 10 5 FCBEMO CC1(C)[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC001300188905 1262984309 /nfs/dbraw/zinc/98/43/09/1262984309.db2.gz MOHXAVOWLKSSRK-KBPBESRZSA-N 1 1 364.402 0.372 10 5 FCBEMO C[NH+](C)C1(CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001478405792 1263131528 /nfs/dbraw/zinc/13/15/28/1263131528.db2.gz XZEXDOXQNHZYKL-UHFFFAOYSA-N 1 1 370.431 0.762 10 5 FCBEMO CN(Cc1cccs1)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001480137724 1263425254 /nfs/dbraw/zinc/42/52/54/1263425254.db2.gz KQUZUEBDERKCPO-HBJVGIJOSA-N 1 1 366.443 0.609 10 5 FCBEMO COc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)ccn1 ZINC001484182356 1263456605 /nfs/dbraw/zinc/45/66/05/1263456605.db2.gz SISIAZSPTLXFEI-ZIAGYGMSSA-N 1 1 364.402 0.510 10 5 FCBEMO O=C(NCC[N@@H+](CC1CCS(=O)(=O)CC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493369883 1263719971 /nfs/dbraw/zinc/71/99/71/1263719971.db2.gz AMGHUIRNWNFGJF-ZIAGYGMSSA-N 1 1 359.448 0.057 10 5 FCBEMO O=C(NCC[N@H+](CC1CCS(=O)(=O)CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001493369883 1263719977 /nfs/dbraw/zinc/71/99/77/1263719977.db2.gz AMGHUIRNWNFGJF-ZIAGYGMSSA-N 1 1 359.448 0.057 10 5 FCBEMO O=C(NCC[N@@H+](CC1CCS(=O)(=O)CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001493369883 1263719984 /nfs/dbraw/zinc/71/99/84/1263719984.db2.gz AMGHUIRNWNFGJF-ZIAGYGMSSA-N 1 1 359.448 0.057 10 5 FCBEMO CN(CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)C[NH+]1CCCC1 ZINC001500688917 1264082352 /nfs/dbraw/zinc/08/23/52/1264082352.db2.gz WANXOILACWOVSW-HZPDHXFCSA-N 1 1 366.462 0.835 10 5 FCBEMO Cn1cncc1C[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506483052 1264323819 /nfs/dbraw/zinc/32/38/19/1264323819.db2.gz NQKMFODZPXRKNX-HZPDHXFCSA-N 1 1 365.434 0.573 10 5 FCBEMO Cc1cc(=O)c(C(=O)NC[C@@H]2CC[N@H+]2C)nn1-c1ccccc1[N+](=O)[O-] ZINC001535645941 1267305183 /nfs/dbraw/zinc/30/51/83/1267305183.db2.gz CHCJFDSZGGEDQO-LBPRGKRZSA-N 1 1 357.370 0.883 10 5 FCBEMO Cc1cc(=O)c(C(=O)NC[C@@H]2CC[N@@H+]2C)nn1-c1ccccc1[N+](=O)[O-] ZINC001535645941 1267305189 /nfs/dbraw/zinc/30/51/89/1267305189.db2.gz CHCJFDSZGGEDQO-LBPRGKRZSA-N 1 1 357.370 0.883 10 5 FCBEMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2C1 ZINC001538046032 1267390357 /nfs/dbraw/zinc/39/03/57/1267390357.db2.gz GMBFGXFPMCVDJG-COLVAYQJSA-N 1 1 372.381 0.647 10 5 FCBEMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC001566978771 1269671801 /nfs/dbraw/zinc/67/18/01/1269671801.db2.gz PSEYVOLEXUXHPO-LLVKDONJSA-N 1 1 353.379 0.196 10 5 FCBEMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC001566978771 1269671806 /nfs/dbraw/zinc/67/18/06/1269671806.db2.gz PSEYVOLEXUXHPO-LLVKDONJSA-N 1 1 353.379 0.196 10 5 FCBEMO Cc1csc2nc(C[N@H+](C)CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc(=O)n12 ZINC001567281310 1269684300 /nfs/dbraw/zinc/68/43/00/1269684300.db2.gz JPBFWKZWCHOSEO-VXGBXAGGSA-N 1 1 365.415 0.278 10 5 FCBEMO Cc1csc2nc(C[N@@H+](C)CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc(=O)n12 ZINC001567281310 1269684308 /nfs/dbraw/zinc/68/43/08/1269684308.db2.gz JPBFWKZWCHOSEO-VXGBXAGGSA-N 1 1 365.415 0.278 10 5 FCBEMO CN(CCC[NH2+]Cc1ccc2oc(=O)n(C)c2c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001569201872 1269769888 /nfs/dbraw/zinc/76/98/88/1269769888.db2.gz NYHRWGZAKRFBSO-CHWSQXEVSA-N 1 1 362.386 0.735 10 5 FCBEMO C[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)CC1 ZINC001571905468 1269979536 /nfs/dbraw/zinc/97/95/36/1269979536.db2.gz JHTJAESTHRTTQG-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnn(-c2cc[nH+]cc2)c1 ZINC001575821561 1272482210 /nfs/dbraw/zinc/48/22/10/1272482210.db2.gz FLJGWHVDDGVPHU-ZIAGYGMSSA-N 1 1 358.358 0.169 10 5 FCBEMO CN(CC[NH2+]CC(=O)Nc1cc(F)ccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714702709 1287330744 /nfs/dbraw/zinc/33/07/44/1287330744.db2.gz CIPSDJATVPKYNZ-ZWNOBZJWSA-N 1 1 356.329 0.617 10 5 FCBEMO CS(=O)(=O)c1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001715812707 1287361349 /nfs/dbraw/zinc/36/13/49/1287361349.db2.gz IKVKEJDROUMUSF-SWVJOTTGSA-N 1 1 367.427 0.517 10 5 FCBEMO Cn1c(=O)oc2ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC001715817098 1287362062 /nfs/dbraw/zinc/36/20/62/1287362062.db2.gz QECQGPYQFZUJIQ-XCUNLHGCSA-N 1 1 360.370 0.559 10 5 FCBEMO Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)sn1 ZINC001717262551 1287415206 /nfs/dbraw/zinc/41/52/06/1287415206.db2.gz JTJRKBZUHXRUDI-CHWSQXEVSA-N 1 1 354.432 0.872 10 5 FCBEMO CN(C)C(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001718034515 1287454037 /nfs/dbraw/zinc/45/40/37/1287454037.db2.gz LDPGTDYMCIJMQH-TZMCWYRMSA-N 1 1 352.366 0.285 10 5 FCBEMO O=C(C[NH+]1CCCC1)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001582689269 1281895270 /nfs/dbraw/zinc/89/52/70/1281895270.db2.gz XSABNCUCPCFXBI-HUUCEWRRSA-N 1 1 352.435 0.492 10 5 FCBEMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC001631757698 1282109073 /nfs/dbraw/zinc/10/90/73/1282109073.db2.gz PWVKZZIGDCBIMX-NSHDSACASA-N 1 1 365.386 0.941 10 5 FCBEMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001639629869 1282799478 /nfs/dbraw/zinc/79/94/78/1282799478.db2.gz DNCZAHHUGNBNGI-QWHCGFSZSA-N 1 1 350.375 0.925 10 5 FCBEMO CCC[N@@H+](C)CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001718981784 1287604969 /nfs/dbraw/zinc/60/49/69/1287604969.db2.gz IBGLWXNRJJPJOM-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO CCC[N@H+](C)CC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718981784 1287604973 /nfs/dbraw/zinc/60/49/73/1287604973.db2.gz IBGLWXNRJJPJOM-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO CCC[N@@H+](C)CC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718981784 1287604977 /nfs/dbraw/zinc/60/49/77/1287604977.db2.gz IBGLWXNRJJPJOM-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)CCO)cc1OC ZINC001641452543 1282950899 /nfs/dbraw/zinc/95/08/99/1282950899.db2.gz FNXKIRGPVVUFTM-UHFFFAOYSA-N 1 1 355.391 0.998 10 5 FCBEMO CN(CC[N@@H+](C)CCO)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001642422554 1283008296 /nfs/dbraw/zinc/00/82/96/1283008296.db2.gz UKSMFESUJNEPQO-UHFFFAOYSA-N 1 1 362.386 0.904 10 5 FCBEMO CC(C)N(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704437906 1286250463 /nfs/dbraw/zinc/25/04/63/1286250463.db2.gz LIZYOCPNJIFHIS-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO Cn1cc(C(=O)N2CC([NH2+]C3COC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001598275033 1286384698 /nfs/dbraw/zinc/38/46/98/1286384698.db2.gz WOGMPGBJJPSCDN-UHFFFAOYSA-N 1 1 357.370 0.808 10 5 FCBEMO CC(C)(C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC001721396001 1288333540 /nfs/dbraw/zinc/33/35/40/1288333540.db2.gz MPIOSVYRNLQMLE-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO O=C(C[NH2+]C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCC1 ZINC001724609258 1288447318 /nfs/dbraw/zinc/44/73/18/1288447318.db2.gz WHYFGTZARPSSSH-KLHDSHLOSA-N 1 1 366.462 0.786 10 5 FCBEMO CCC(CC)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001724954336 1288456659 /nfs/dbraw/zinc/45/66/59/1288456659.db2.gz GPCTWHATKAVGCW-ZIAGYGMSSA-N 1 1 354.451 0.927 10 5 FCBEMO O=C(N[C@H]1CC[C@H]([NH2+]CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001732307166 1288580902 /nfs/dbraw/zinc/58/09/02/1288580902.db2.gz RWLAJGKGFUJTAH-KBUPBQIOSA-N 1 1 352.435 0.681 10 5 FCBEMO CC(C)N(C)C(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001732292531 1288581012 /nfs/dbraw/zinc/58/10/12/1288581012.db2.gz OKFDQVDTXHIZQU-HUUCEWRRSA-N 1 1 354.451 0.737 10 5 FCBEMO CCN(CC[NH2+]CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732775406 1288593493 /nfs/dbraw/zinc/59/34/93/1288593493.db2.gz RREKQBMXESKSOF-VXGBXAGGSA-N 1 1 353.427 0.074 10 5 FCBEMO Cc1ncc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001700300489 1289592336 /nfs/dbraw/zinc/59/23/36/1289592336.db2.gz GCDVWUCUIBDSMY-CHWSQXEVSA-N 1 1 354.432 0.560 10 5 FCBEMO C[N@@H+](CC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001701961422 1289720572 /nfs/dbraw/zinc/72/05/72/1289720572.db2.gz SEWIBRLKHUWDHP-HUUCEWRRSA-N 1 1 366.462 0.904 10 5 FCBEMO C[N@H+](CC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001701961422 1289720577 /nfs/dbraw/zinc/72/05/77/1289720577.db2.gz SEWIBRLKHUWDHP-HUUCEWRRSA-N 1 1 366.462 0.904 10 5 FCBEMO C[N@@H+](CC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001701961422 1289720589 /nfs/dbraw/zinc/72/05/89/1289720589.db2.gz SEWIBRLKHUWDHP-HUUCEWRRSA-N 1 1 366.462 0.904 10 5 FCBEMO C[N@H+]1CCC[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001616954940 1289807729 /nfs/dbraw/zinc/80/77/29/1289807729.db2.gz ZQXGCHQUFFFLFV-LBPRGKRZSA-N 1 1 370.431 0.331 10 5 FCBEMO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001617000545 1289810153 /nfs/dbraw/zinc/81/01/53/1289810153.db2.gz IBSKIYCGTBMMFU-LBPRGKRZSA-N 1 1 368.415 0.456 10 5 FCBEMO C[C@]12C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@]1(C)C(=O)NC2=O ZINC001620487909 1289992654 /nfs/dbraw/zinc/99/26/54/1289992654.db2.gz JCPNMDLKOPGUSL-DOPJRALCSA-N 1 1 372.381 0.685 10 5 FCBEMO CN1C(=O)[C@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1=O ZINC001620506372 1289994476 /nfs/dbraw/zinc/99/44/76/1289994476.db2.gz BFSOVMJJCCCTLN-MJBXVCDLSA-N 1 1 358.354 0.247 10 5 FCBEMO C[C@H]([NH2+][C@@H]1C(=O)NCC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620616749 1290006927 /nfs/dbraw/zinc/00/69/27/1290006927.db2.gz JUNRFMKKXCBGHU-SMDDNHRTSA-N 1 1 362.386 0.807 10 5 FCBEMO C[C@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@@H+]1CCO ZINC001625757328 1290365642 /nfs/dbraw/zinc/36/56/42/1290365642.db2.gz MZVBZCDTSOKPOS-AWEZNQCLSA-N 1 1 373.413 0.978 10 5 FCBEMO C[C@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@H+]1CCO ZINC001625757328 1290365651 /nfs/dbraw/zinc/36/56/51/1290365651.db2.gz MZVBZCDTSOKPOS-AWEZNQCLSA-N 1 1 373.413 0.978 10 5 FCBEMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C[N@H+]1C1CC1 ZINC001630423185 1290668850 /nfs/dbraw/zinc/66/88/50/1290668850.db2.gz LFFHDPVWGXJQLB-WDEREUQCSA-N 1 1 357.374 0.926 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001644666337 1290970686 /nfs/dbraw/zinc/97/06/86/1290970686.db2.gz VMDBONWSVFBJLN-OAHLLOKOSA-N 1 1 362.386 0.727 10 5 FCBEMO C[NH+]1CCN(C(=O)CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001650671003 1291175311 /nfs/dbraw/zinc/17/53/11/1291175311.db2.gz XJISZTBAOOKCPJ-UHFFFAOYSA-N 1 1 374.357 0.659 10 5 FCBEMO COCC[N@@H+](C)CCN1C[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)CC1=O ZINC001651161019 1291199605 /nfs/dbraw/zinc/19/96/05/1291199605.db2.gz NILMPCNKXAQKRQ-LBPRGKRZSA-N 1 1 354.411 0.228 10 5 FCBEMO Cn1cncc1CC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001654008764 1291387843 /nfs/dbraw/zinc/38/78/43/1291387843.db2.gz UBGWTULNZZUQDZ-UHFFFAOYSA-N 1 1 367.431 0.781 10 5 FCBEMO Cn1cncc1CC[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001654008764 1291387852 /nfs/dbraw/zinc/38/78/52/1291387852.db2.gz UBGWTULNZZUQDZ-UHFFFAOYSA-N 1 1 367.431 0.781 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC001655125315 1291457182 /nfs/dbraw/zinc/45/71/82/1291457182.db2.gz XWBZYWRCZOYZPK-WBMJQRKESA-N 1 1 353.375 0.750 10 5 FCBEMO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001656131876 1291498119 /nfs/dbraw/zinc/49/81/19/1291498119.db2.gz AYIIVBNLDGBECF-AYRXBEOTSA-N 1 1 364.402 0.388 10 5 FCBEMO NS(=O)(=O)C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001656343554 1291512429 /nfs/dbraw/zinc/51/24/29/1291512429.db2.gz NNOTZZAZCKNZOO-FZMZJTMJSA-N 1 1 368.415 0.311 10 5 FCBEMO NS(=O)(=O)C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001656343554 1291512435 /nfs/dbraw/zinc/51/24/35/1291512435.db2.gz NNOTZZAZCKNZOO-FZMZJTMJSA-N 1 1 368.415 0.311 10 5 FCBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001660397581 1291657237 /nfs/dbraw/zinc/65/72/37/1291657237.db2.gz CUPBAYJPFHQIOB-UTUOFQBUSA-N 1 1 370.431 0.778 10 5 FCBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001660397581 1291657242 /nfs/dbraw/zinc/65/72/42/1291657242.db2.gz CUPBAYJPFHQIOB-UTUOFQBUSA-N 1 1 370.431 0.778 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001660398034 1291657836 /nfs/dbraw/zinc/65/78/36/1291657836.db2.gz HSRSORSXZNRUNR-FRRDWIJNSA-N 1 1 373.431 0.191 10 5 FCBEMO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N(C1CC1)C1CCCC1 ZINC001661598277 1291701454 /nfs/dbraw/zinc/70/14/54/1291701454.db2.gz PUUWIZACAZDQBF-NOXHYTERSA-N 1 1 364.446 0.822 10 5 FCBEMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCC1OCCCO1 ZINC001171502170 850687216 /nfs/dbraw/zinc/68/72/16/850687216.db2.gz TUPGVVMNYOOSTE-UHFFFAOYSA-N 1 1 373.431 0.958 10 5 FCBEMO Nc1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc(F)cc1[N+](=O)[O-] ZINC001180054129 851009798 /nfs/dbraw/zinc/00/97/98/851009798.db2.gz LFZVSTFAOCMDRQ-OLZOCXBDSA-N 1 1 352.366 0.987 10 5 FCBEMO C[C@H]1[C@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC001255630897 858026182 /nfs/dbraw/zinc/02/61/82/858026182.db2.gz RWHCMLKVUBDWMB-SMDDNHRTSA-N 1 1 370.431 0.760 10 5 FCBEMO C[C@H]1[C@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001255630897 858026192 /nfs/dbraw/zinc/02/61/92/858026192.db2.gz RWHCMLKVUBDWMB-SMDDNHRTSA-N 1 1 370.431 0.760 10 5 FCBEMO Cc1csc(=O)n1CC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001267838040 859518725 /nfs/dbraw/zinc/51/87/25/859518725.db2.gz RCVJAZOXCFQIDY-CHWSQXEVSA-N 1 1 368.459 0.902 10 5 FCBEMO CN(C)C(=O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001269605910 859551243 /nfs/dbraw/zinc/55/12/43/859551243.db2.gz XJDGHOAFZYSVEI-HUUCEWRRSA-N 1 1 354.451 0.881 10 5 FCBEMO CN(C)C(=O)C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCCC1 ZINC001269605910 859551252 /nfs/dbraw/zinc/55/12/52/859551252.db2.gz XJDGHOAFZYSVEI-HUUCEWRRSA-N 1 1 354.451 0.881 10 5 FCBEMO CN(C)C(=O)C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCCC1 ZINC001269605910 859551261 /nfs/dbraw/zinc/55/12/61/859551261.db2.gz XJDGHOAFZYSVEI-HUUCEWRRSA-N 1 1 354.451 0.881 10 5 FCBEMO CCn1nnc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001270743695 859836215 /nfs/dbraw/zinc/83/62/15/859836215.db2.gz UYHNSBDMZUEGMK-CHWSQXEVSA-N 1 1 350.423 0.790 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001280886320 863452617 /nfs/dbraw/zinc/45/26/17/863452617.db2.gz HHQQPUNPJUWICT-ZIAGYGMSSA-N 1 1 354.451 0.831 10 5 FCBEMO CC[N@H+](C)C(C)(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001280886320 863452627 /nfs/dbraw/zinc/45/26/27/863452627.db2.gz HHQQPUNPJUWICT-ZIAGYGMSSA-N 1 1 354.451 0.831 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001280886320 863452638 /nfs/dbraw/zinc/45/26/38/863452638.db2.gz HHQQPUNPJUWICT-ZIAGYGMSSA-N 1 1 354.451 0.831 10 5 FCBEMO CCC1([NH2+]CC(=O)N(C)C(C)C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281003837 863462185 /nfs/dbraw/zinc/46/21/85/863462185.db2.gz CJMDLPPACHOTRU-ZIAGYGMSSA-N 1 1 354.451 0.879 10 5 FCBEMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001302569636 866340176 /nfs/dbraw/zinc/34/01/76/866340176.db2.gz JXBMRAKRUPHMLU-NWDGAFQWSA-N 1 1 368.415 0.408 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC001324409078 869577010 /nfs/dbraw/zinc/57/70/10/869577010.db2.gz SGZCMYQYRCTQLE-SNVBAGLBSA-N 1 1 357.388 0.754 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001324409078 869577023 /nfs/dbraw/zinc/57/70/23/869577023.db2.gz SGZCMYQYRCTQLE-SNVBAGLBSA-N 1 1 357.388 0.754 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC001327406948 870847503 /nfs/dbraw/zinc/84/75/03/870847503.db2.gz ZKVIYFXFTOWZTA-UHFFFAOYSA-N 1 1 357.388 0.564 10 5 FCBEMO C[C@@H](c1nnc(N2CC[NH+](C3CC3)CC2)n1C[C@@H]1CCOC1)[N+](=O)[O-] ZINC001345385393 871315192 /nfs/dbraw/zinc/31/51/92/871315192.db2.gz MOMCOFQJFGJPKL-STQMWFEESA-N 1 1 350.423 0.937 10 5 FCBEMO CN(CC(F)(F)F)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001330594333 872724242 /nfs/dbraw/zinc/72/42/42/872724242.db2.gz HIDNHCXLJPMRFG-GWOFURMSSA-N 1 1 366.340 0.157 10 5 FCBEMO CC(C)N(CCN(C)CC(=O)N1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001332708362 873623923 /nfs/dbraw/zinc/62/39/23/873623923.db2.gz YEKOYQLKJYEJKV-HUUCEWRRSA-N 1 1 354.451 0.833 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC[N@H+](CCCO)C1 ZINC000295373748 214294285 /nfs/dbraw/zinc/29/42/85/214294285.db2.gz SVAJNNGSCYFBSU-GFCCVEGCSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC[N@@H+](CCCO)C1 ZINC000295373748 214294288 /nfs/dbraw/zinc/29/42/88/214294288.db2.gz SVAJNNGSCYFBSU-GFCCVEGCSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295373748 214294291 /nfs/dbraw/zinc/29/42/91/214294291.db2.gz SVAJNNGSCYFBSU-GFCCVEGCSA-N 1 1 373.431 0.729 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295373748 214294295 /nfs/dbraw/zinc/29/42/95/214294295.db2.gz SVAJNNGSCYFBSU-GFCCVEGCSA-N 1 1 373.431 0.729 10 5 FCBEMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000285238352 213308382 /nfs/dbraw/zinc/30/83/82/213308382.db2.gz XQLCXFFLTVGZGE-QWHCGFSZSA-N 1 1 359.379 0.828 10 5 FCBEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000285238352 213308384 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QVGMQFMLZKVOAQ-UHFFFAOYSA-N 1 1 357.388 0.756 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000416390141 546912610 /nfs/dbraw/zinc/91/26/10/546912610.db2.gz MVPXZDJCFVFPHS-SNVBAGLBSA-N 1 1 369.399 0.896 10 5 FCBEMO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000416390141 546912615 /nfs/dbraw/zinc/91/26/15/546912615.db2.gz MVPXZDJCFVFPHS-SNVBAGLBSA-N 1 1 369.399 0.896 10 5 FCBEMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@](O)(CO)C2)cc1[N+](=O)[O-] ZINC000459731594 547012725 /nfs/dbraw/zinc/01/27/25/547012725.db2.gz SWPFJGIESJTWOE-MRXNPFEDSA-N 1 1 354.359 0.466 10 5 FCBEMO COC(=O)COc1ccc(C[N@H+]2CCC[C@](O)(CO)C2)cc1[N+](=O)[O-] ZINC000459731594 547012727 /nfs/dbraw/zinc/01/27/27/547012727.db2.gz SWPFJGIESJTWOE-MRXNPFEDSA-N 1 1 354.359 0.466 10 5 FCBEMO O=C1OCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000784222888 668647701 /nfs/dbraw/zinc/64/77/01/668647701.db2.gz RAPUZDDXHULGFS-CHWSQXEVSA-N 1 1 351.359 0.861 10 5 FCBEMO O=C1OCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000784222888 668647703 /nfs/dbraw/zinc/64/77/03/668647703.db2.gz RAPUZDDXHULGFS-CHWSQXEVSA-N 1 1 351.359 0.861 10 5 FCBEMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856254266 671681443 /nfs/dbraw/zinc/68/14/43/671681443.db2.gz UDLDIBAFBBOUNT-LLVKDONJSA-N 1 1 352.366 0.987 10 5 FCBEMO CN(Cc1ccccc1F)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696722 1170089897 /nfs/dbraw/zinc/08/98/97/1170089897.db2.gz PSEYYSRONIDHHG-UKRRQHHQSA-N 1 1 366.393 0.497 10 5 FCBEMO C[NH+]1CCN(C(=O)CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001648934401 1186279825 /nfs/dbraw/zinc/27/98/25/1186279825.db2.gz YKBYUNXARBWXBC-UHFFFAOYSA-N 1 1 362.386 0.448 10 5 FCBEMO C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CCN1CCNC1=O ZINC001268198331 1186624949 /nfs/dbraw/zinc/62/49/49/1186624949.db2.gz WEGZWDMQPPIDHK-HUUCEWRRSA-N 1 1 367.450 0.237 10 5 FCBEMO C[N@H+](CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CCN1CCNC1=O ZINC001268198331 1186624951 /nfs/dbraw/zinc/62/49/51/1186624951.db2.gz WEGZWDMQPPIDHK-HUUCEWRRSA-N 1 1 367.450 0.237 10 5 FCBEMO C[N@@H+](CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CCN1CCNC1=O ZINC001268198331 1186624953 /nfs/dbraw/zinc/62/49/53/1186624953.db2.gz WEGZWDMQPPIDHK-HUUCEWRRSA-N 1 1 367.450 0.237 10 5 FCBEMO CN(C(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1)C1CC1 ZINC001482029556 1187574742 /nfs/dbraw/zinc/57/47/42/1187574742.db2.gz KWTICWTZMPIBNH-HZPDHXFCSA-N 1 1 360.414 0.678 10 5 FCBEMO C[NH+](C)Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001299199109 1191211036 /nfs/dbraw/zinc/21/10/36/1191211036.db2.gz ZANHOGYEOQRYJD-HUUCEWRRSA-N 1 1 360.414 0.792 10 5 FCBEMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000905143164 1195576871 /nfs/dbraw/zinc/57/68/71/1195576871.db2.gz FRLODMHXJJQTAC-UHFFFAOYSA-N 1 1 361.446 0.737 10 5 FCBEMO COC(=O)COc1ccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594613783 1196732833 /nfs/dbraw/zinc/73/28/33/1196732833.db2.gz UUUHVPPIRCCAET-UONOGXRCSA-N 1 1 365.386 0.397 10 5 FCBEMO Cn1cnnc1N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000594022415 1196847679 /nfs/dbraw/zinc/84/76/79/1196847679.db2.gz HCVKGWKAQASNSS-ZDUSSCGKSA-N 1 1 362.390 0.285 10 5 FCBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594315452 1196884636 /nfs/dbraw/zinc/88/46/36/1196884636.db2.gz GHPCKGIMISZTHL-UONOGXRCSA-N 1 1 362.386 0.373 10 5 FCBEMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(C[NH+]2CCOCC2)C1 ZINC000820249516 1203182420 /nfs/dbraw/zinc/18/24/20/1203182420.db2.gz OJRNBUHTDHQACS-KRWDZBQOSA-N 1 1 374.397 0.878 10 5 FCBEMO COc1ccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001197553371 1208174667 /nfs/dbraw/zinc/17/46/67/1208174667.db2.gz PWXVXTWDYCIDSD-QWHCGFSZSA-N 1 1 364.402 0.683 10 5 FCBEMO CN(C)c1cc(F)c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000854353065 1209622444 /nfs/dbraw/zinc/62/24/44/1209622444.db2.gz QIKQCKFRTVLVLX-LBPRGKRZSA-N 1 1 365.409 0.920 10 5 FCBEMO C[N@H+]1C[C@H]2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H]2C1 ZINC000794928573 1209998214 /nfs/dbraw/zinc/99/82/14/1209998214.db2.gz JCGFWAMPYKBFKH-CRAIPNDOSA-N 1 1 373.457 0.879 10 5 FCBEMO CCN1CC[NH+](CC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001276246414 1211391485 /nfs/dbraw/zinc/39/14/85/1211391485.db2.gz BCVUZKAYQFYMCM-UHFFFAOYSA-N 1 1 365.434 0.289 10 5 FCBEMO C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000841453617 1222823233 /nfs/dbraw/zinc/82/32/33/1222823233.db2.gz HQKISELRZCZPBP-OLZOCXBDSA-N 1 1 365.386 0.700 10 5 FCBEMO C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000841453617 1222823235 /nfs/dbraw/zinc/82/32/35/1222823235.db2.gz HQKISELRZCZPBP-OLZOCXBDSA-N 1 1 365.386 0.700 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000841453616 1222823508 /nfs/dbraw/zinc/82/35/08/1222823508.db2.gz HQKISELRZCZPBP-CHWSQXEVSA-N 1 1 365.386 0.700 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000841453616 1222823509 /nfs/dbraw/zinc/82/35/09/1222823509.db2.gz HQKISELRZCZPBP-CHWSQXEVSA-N 1 1 365.386 0.700 10 5 FCBEMO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001280362552 1261061872 /nfs/dbraw/zinc/06/18/72/1261061872.db2.gz AWGLGHWAZUUJCD-FDYHWXHSSA-N 1 1 365.390 0.543 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001473775548 1261496835 /nfs/dbraw/zinc/49/68/35/1261496835.db2.gz TVWRENNWNQVTGJ-MELADBBJSA-N 1 1 370.427 0.701 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001473775548 1261496841 /nfs/dbraw/zinc/49/68/41/1261496841.db2.gz TVWRENNWNQVTGJ-MELADBBJSA-N 1 1 370.427 0.701 10 5 FCBEMO Cn1nccc1C[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001282581926 1261540374 /nfs/dbraw/zinc/54/03/74/1261540374.db2.gz LIUALIOPAXYRNP-HZPDHXFCSA-N 1 1 365.434 0.573 10 5 FCBEMO CN(C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCCC1 ZINC001479367347 1263187735 /nfs/dbraw/zinc/18/77/35/1263187735.db2.gz INCNPCKFTOYGEC-RRCSTGOVSA-N 1 1 366.462 0.927 10 5 FCBEMO COc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)sn1 ZINC001484181855 1263458068 /nfs/dbraw/zinc/45/80/68/1263458068.db2.gz KQYDPJCMHIGLLJ-VXGBXAGGSA-N 1 1 370.431 0.572 10 5 FCBEMO CC(C)(C)NC(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001495517201 1263823789 /nfs/dbraw/zinc/82/37/89/1263823789.db2.gz JZPKZMCFPOOGHT-ZIAGYGMSSA-N 1 1 354.451 0.785 10 5 FCBEMO CN(C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001500424866 1264067507 /nfs/dbraw/zinc/06/75/07/1264067507.db2.gz UTIXNMYYYXUHSU-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC001322587774 1264224393 /nfs/dbraw/zinc/22/43/93/1264224393.db2.gz ICGZAVJERUNXLY-UHFFFAOYSA-N 1 1 361.402 0.616 10 5 FCBEMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001334424732 1266993681 /nfs/dbraw/zinc/99/36/81/1266993681.db2.gz SSBGIXUTMKUBOS-DGCLKSJQSA-N 1 1 352.416 0.453 10 5 FCBEMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001334424732 1266993686 /nfs/dbraw/zinc/99/36/86/1266993686.db2.gz SSBGIXUTMKUBOS-DGCLKSJQSA-N 1 1 352.416 0.453 10 5 FCBEMO COc1cc(CCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC001540521247 1267450331 /nfs/dbraw/zinc/45/03/31/1267450331.db2.gz WJBGSQYLLQVSCG-SJCJKPOMSA-N 1 1 367.402 0.726 10 5 FCBEMO CC(C)CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001566971987 1269671630 /nfs/dbraw/zinc/67/16/30/1269671630.db2.gz ZOUWZKFRSCUYKM-GAGVYUBLSA-N 1 1 364.446 0.345 10 5 FCBEMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)C1 ZINC001566974848 1269671917 /nfs/dbraw/zinc/67/19/17/1269671917.db2.gz HMZCPCSUYKEKTJ-NSHDSACASA-N 1 1 350.375 0.886 10 5 FCBEMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)C1 ZINC001566974848 1269671920 /nfs/dbraw/zinc/67/19/20/1269671920.db2.gz HMZCPCSUYKEKTJ-NSHDSACASA-N 1 1 350.375 0.886 10 5 FCBEMO Cc1nc(C)n(CC[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001714132931 1287313248 /nfs/dbraw/zinc/31/32/48/1287313248.db2.gz FOGLETWMHJOYHY-ZIAGYGMSSA-N 1 1 350.423 0.579 10 5 FCBEMO Cc1cc(NC(=O)C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001714302921 1287319226 /nfs/dbraw/zinc/31/92/26/1287319226.db2.gz PSCIOBRSLJHMBU-FDYHWXHSSA-N 1 1 365.390 0.604 10 5 FCBEMO CC(C)NC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717001008 1287400887 /nfs/dbraw/zinc/40/08/87/1287400887.db2.gz LCCJBFBURHZBPU-KBUPBQIOSA-N 1 1 354.451 0.688 10 5 FCBEMO Cn1nnc2cc(C[NH2+]C3(CNC(=O)[C@@H]4CC4[N+](=O)[O-])CCC3)ccc21 ZINC001717149906 1287408696 /nfs/dbraw/zinc/40/86/96/1287408696.db2.gz HAGAONXMYRDUPP-IUODEOHRSA-N 1 1 358.402 0.762 10 5 FCBEMO Cc1cc(NC(=O)C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001717639547 1287431407 /nfs/dbraw/zinc/43/14/07/1287431407.db2.gz ROBWZQAFLNUENT-DDHJBXDOSA-N 1 1 351.363 0.071 10 5 FCBEMO CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001581833212 1280581693 /nfs/dbraw/zinc/58/16/93/1280581693.db2.gz RCHABWALUZSCMH-HZPDHXFCSA-N 1 1 366.462 0.833 10 5 FCBEMO CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001581833212 1280581701 /nfs/dbraw/zinc/58/17/01/1280581701.db2.gz RCHABWALUZSCMH-HZPDHXFCSA-N 1 1 366.462 0.833 10 5 FCBEMO CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001581833212 1280581706 /nfs/dbraw/zinc/58/17/06/1280581706.db2.gz RCHABWALUZSCMH-HZPDHXFCSA-N 1 1 366.462 0.833 10 5 FCBEMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993637 1282129111 /nfs/dbraw/zinc/12/91/11/1282129111.db2.gz DRTHWWAFWQJOGJ-UONOGXRCSA-N 1 1 372.385 0.769 10 5 FCBEMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001633496342 1282248044 /nfs/dbraw/zinc/24/80/44/1282248044.db2.gz BWRAHBSEMDXWOO-MRXNPFEDSA-N 1 1 351.359 0.553 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001637890454 1282633852 /nfs/dbraw/zinc/63/38/52/1282633852.db2.gz JWBWRAYFNFDVCS-GFCCVEGCSA-N 1 1 360.374 0.314 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001637890454 1282633865 /nfs/dbraw/zinc/63/38/65/1282633865.db2.gz JWBWRAYFNFDVCS-GFCCVEGCSA-N 1 1 360.374 0.314 10 5 FCBEMO CC1(C)[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC001639629870 1282799529 /nfs/dbraw/zinc/79/95/29/1282799529.db2.gz DNCZAHHUGNBNGI-STQMWFEESA-N 1 1 350.375 0.925 10 5 FCBEMO COCC[NH+](CCOC)C1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC001639653034 1282801381 /nfs/dbraw/zinc/80/13/81/1282801381.db2.gz AAQSLPCZFYGWBC-UHFFFAOYSA-N 1 1 370.381 0.735 10 5 FCBEMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001704580376 1286267736 /nfs/dbraw/zinc/26/77/36/1286267736.db2.gz IBQBWPLJTNREEE-HUUCEWRRSA-N 1 1 366.462 0.879 10 5 FCBEMO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001704580376 1286267744 /nfs/dbraw/zinc/26/77/44/1286267744.db2.gz IBQBWPLJTNREEE-HUUCEWRRSA-N 1 1 366.462 0.879 10 5 FCBEMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001704580376 1286267750 /nfs/dbraw/zinc/26/77/50/1286267750.db2.gz IBQBWPLJTNREEE-HUUCEWRRSA-N 1 1 366.462 0.879 10 5 FCBEMO Cc1nc(C)c(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001724974546 1288457673 /nfs/dbraw/zinc/45/76/73/1288457673.db2.gz BNGZHDVBJZFXES-CHWSQXEVSA-N 1 1 368.459 0.868 10 5 FCBEMO CN(CCC[NH2+]Cc1cn(-c2ccccc2)nn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733098477 1288602502 /nfs/dbraw/zinc/60/25/02/1288602502.db2.gz CCQAWSMAUULTFG-HZPDHXFCSA-N 1 1 358.402 0.871 10 5 FCBEMO CC[N@H+](CC(=O)N1CCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733918449 1288636846 /nfs/dbraw/zinc/63/68/46/1288636846.db2.gz OHRNRDSFDLCSGQ-HZPDHXFCSA-N 1 1 366.462 0.835 10 5 FCBEMO CC[N@@H+](CC(=O)N1CCCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733918449 1288636849 /nfs/dbraw/zinc/63/68/49/1288636849.db2.gz OHRNRDSFDLCSGQ-HZPDHXFCSA-N 1 1 366.462 0.835 10 5 FCBEMO CC[N@H+](CC(=O)N1CCCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733918449 1288636853 /nfs/dbraw/zinc/63/68/53/1288636853.db2.gz OHRNRDSFDLCSGQ-HZPDHXFCSA-N 1 1 366.462 0.835 10 5 FCBEMO O=C(C[NH2+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001700097209 1289583631 /nfs/dbraw/zinc/58/36/31/1289583631.db2.gz CRFBQSQXOZTQII-KLHDSHLOSA-N 1 1 366.462 0.929 10 5 FCBEMO O=C(NCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001700097595 1289584377 /nfs/dbraw/zinc/58/43/77/1289584377.db2.gz IZZRCDPEYNLNTC-NMFUWQPSSA-N 1 1 352.435 0.442 10 5 FCBEMO C[N@@H+](CCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001738048431 1289623780 /nfs/dbraw/zinc/62/37/80/1289623780.db2.gz IZPHRUXRBGMGQB-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO C[N@H+](CCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCCC1 ZINC001738048431 1289623785 /nfs/dbraw/zinc/62/37/85/1289623785.db2.gz IZPHRUXRBGMGQB-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO C[N@@H+](CCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCCC1 ZINC001738048431 1289623796 /nfs/dbraw/zinc/62/37/96/1289623796.db2.gz IZPHRUXRBGMGQB-HZPDHXFCSA-N 1 1 366.462 0.881 10 5 FCBEMO CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001701154484 1289633415 /nfs/dbraw/zinc/63/34/15/1289633415.db2.gz RAVFWBBQZPHROG-HUUCEWRRSA-N 1 1 368.478 0.984 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001739225910 1289821607 /nfs/dbraw/zinc/82/16/07/1289821607.db2.gz KFXUXDVADYIHOP-LXTVHRRPSA-N 1 1 352.435 0.585 10 5 FCBEMO CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001739225910 1289821622 /nfs/dbraw/zinc/82/16/22/1289821622.db2.gz KFXUXDVADYIHOP-LXTVHRRPSA-N 1 1 352.435 0.585 10 5 FCBEMO CCC[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001739225910 1289821634 /nfs/dbraw/zinc/82/16/34/1289821634.db2.gz KFXUXDVADYIHOP-LXTVHRRPSA-N 1 1 352.435 0.585 10 5 FCBEMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001618273189 1289894993 /nfs/dbraw/zinc/89/49/93/1289894993.db2.gz IBYRERNRUNJVIF-ZYHUDNBSSA-N 1 1 370.431 0.797 10 5 FCBEMO NC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001620418840 1289989270 /nfs/dbraw/zinc/98/92/70/1289989270.db2.gz GBELERPMKRHZPV-DTORHVGOSA-N 1 1 361.185 0.920 10 5 FCBEMO NC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001620418840 1289989276 /nfs/dbraw/zinc/98/92/76/1289989276.db2.gz GBELERPMKRHZPV-DTORHVGOSA-N 1 1 361.185 0.920 10 5 FCBEMO CC[N@@H+]1CC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001625575838 1290351464 /nfs/dbraw/zinc/35/14/64/1290351464.db2.gz GDUMJJCRZDPPII-ZDUSSCGKSA-N 1 1 356.404 0.084 10 5 FCBEMO CC[N@H+]1CC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001625575838 1290351472 /nfs/dbraw/zinc/35/14/72/1290351472.db2.gz GDUMJJCRZDPPII-ZDUSSCGKSA-N 1 1 356.404 0.084 10 5 FCBEMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC001626697341 1290410519 /nfs/dbraw/zinc/41/05/19/1290410519.db2.gz KZDXXHGGYKTMEM-CYBMUJFWSA-N 1 1 351.407 0.896 10 5 FCBEMO C[N@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC001627289586 1290451944 /nfs/dbraw/zinc/45/19/44/1290451944.db2.gz JNEGXFQKCNOTEY-LBPRGKRZSA-N 1 1 360.370 0.791 10 5 FCBEMO C[N@H+]1CC[C@@H](CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001631566742 1290738813 /nfs/dbraw/zinc/73/88/13/1290738813.db2.gz ZPCKWYCYOPISFG-LBPRGKRZSA-N 1 1 370.431 0.331 10 5 FCBEMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001643189946 1290854718 /nfs/dbraw/zinc/85/47/18/1290854718.db2.gz PQEFZHXWKBEUET-VHMBPLKRSA-N 1 1 352.391 0.958 10 5 FCBEMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001643189946 1290854729 /nfs/dbraw/zinc/85/47/29/1290854729.db2.gz PQEFZHXWKBEUET-VHMBPLKRSA-N 1 1 352.391 0.958 10 5 FCBEMO COC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001643279015 1290871030 /nfs/dbraw/zinc/87/10/30/1290871030.db2.gz MWVIENPQZMEGJQ-STQMWFEESA-N 1 1 350.375 0.812 10 5 FCBEMO Cn1ccnc1C1(O)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001644371209 1290958724 /nfs/dbraw/zinc/95/87/24/1290958724.db2.gz XKQCDOOSKHFHBL-UHFFFAOYSA-N 1 1 359.386 0.911 10 5 FCBEMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]1COC(C)(C)O1 ZINC001652721563 1291294341 /nfs/dbraw/zinc/29/43/41/1291294341.db2.gz AHQOZVPMSSBNST-LBPRGKRZSA-N 1 1 373.431 0.956 10 5 FCBEMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]1COC(C)(C)O1 ZINC001652721563 1291294344 /nfs/dbraw/zinc/29/43/44/1291294344.db2.gz AHQOZVPMSSBNST-LBPRGKRZSA-N 1 1 373.431 0.956 10 5 FCBEMO CNC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001654781402 1291434785 /nfs/dbraw/zinc/43/47/85/1291434785.db2.gz KMYPYARUSTXSQB-QWHCGFSZSA-N 1 1 352.391 0.728 10 5 FCBEMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001655354895 1291464911 /nfs/dbraw/zinc/46/49/11/1291464911.db2.gz GXNROPOFDKDZMM-UTUOFQBUSA-N 1 1 360.370 0.777 10 5 FCBEMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001655354895 1291464919 /nfs/dbraw/zinc/46/49/19/1291464919.db2.gz GXNROPOFDKDZMM-UTUOFQBUSA-N 1 1 360.370 0.777 10 5 FCBEMO Cn1nnnc1C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC001655508963 1291470702 /nfs/dbraw/zinc/47/07/02/1291470702.db2.gz ZHYFVZXXLXPJFX-UHFFFAOYSA-N 1 1 371.401 0.887 10 5 FCBEMO NC(=O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001659982349 1291649014 /nfs/dbraw/zinc/64/90/14/1291649014.db2.gz IQESRFYNKASHOY-ZDUSSCGKSA-N 1 1 353.375 0.301 10 5 FCBEMO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1nccs1 ZINC001666283771 1291907596 /nfs/dbraw/zinc/90/75/96/1291907596.db2.gz UGFCBDUXBTXGOT-DDHJBXDOSA-N 1 1 367.431 0.764 10 5 FCBEMO C[N@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3C[C@@H]3CCOC3)CC[C@H]21 ZINC001123105736 848568931 /nfs/dbraw/zinc/56/89/31/848568931.db2.gz BIZBHCBNRSXWKW-BFHYXJOUSA-N 1 1 350.423 0.622 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@@H](CO)C1 ZINC001175183579 850755249 /nfs/dbraw/zinc/75/52/49/850755249.db2.gz KCRFNIRQVDVBRS-CYBMUJFWSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC001175183579 850755256 /nfs/dbraw/zinc/75/52/56/850755256.db2.gz KCRFNIRQVDVBRS-CYBMUJFWSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@@H](CO)C1 ZINC001175183579 850755258 /nfs/dbraw/zinc/75/52/58/850755258.db2.gz KCRFNIRQVDVBRS-CYBMUJFWSA-N 1 1 352.391 0.540 10 5 FCBEMO COC(=O)[C@@H]1C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001176902338 850814154 /nfs/dbraw/zinc/81/41/54/850814154.db2.gz KBKKPMZDPMARNX-VXGBXAGGSA-N 1 1 352.343 0.997 10 5 FCBEMO O=C(NCC[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001267943308 859520270 /nfs/dbraw/zinc/52/02/70/859520270.db2.gz IPHZOFDEHGLCPS-HUUCEWRRSA-N 1 1 352.435 0.396 10 5 FCBEMO CCOCCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001281782492 863738805 /nfs/dbraw/zinc/73/88/05/863738805.db2.gz LHFZWVHZUYYVCJ-HUUCEWRRSA-N 1 1 355.435 0.772 10 5 FCBEMO CCOCCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001281782492 863738809 /nfs/dbraw/zinc/73/88/09/863738809.db2.gz LHFZWVHZUYYVCJ-HUUCEWRRSA-N 1 1 355.435 0.772 10 5 FCBEMO CCOCCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001281782492 863738814 /nfs/dbraw/zinc/73/88/14/863738814.db2.gz LHFZWVHZUYYVCJ-HUUCEWRRSA-N 1 1 355.435 0.772 10 5 FCBEMO CC(C)N(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001288166836 864777475 /nfs/dbraw/zinc/77/74/75/864777475.db2.gz FJCFEFNOADWMAK-HUUCEWRRSA-N 1 1 354.451 0.689 10 5 FCBEMO CC(C)[N@@H+](C)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001288711520 864801050 /nfs/dbraw/zinc/80/10/50/864801050.db2.gz SSHLANBFNQGFOJ-HUUCEWRRSA-N 1 1 352.435 0.657 10 5 FCBEMO CC(C)[N@H+](C)CC(=O)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288711520 864801069 /nfs/dbraw/zinc/80/10/69/864801069.db2.gz SSHLANBFNQGFOJ-HUUCEWRRSA-N 1 1 352.435 0.657 10 5 FCBEMO CC(C)[N@@H+](C)CC(=O)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288711520 864801090 /nfs/dbraw/zinc/80/10/90/864801090.db2.gz SSHLANBFNQGFOJ-HUUCEWRRSA-N 1 1 352.435 0.657 10 5 FCBEMO O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001290043144 865320720 /nfs/dbraw/zinc/32/07/20/865320720.db2.gz DEICRABPAHFPJR-LXTVHRRPSA-N 1 1 352.435 0.539 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001357037035 868071114 /nfs/dbraw/zinc/07/11/14/868071114.db2.gz UKRACRQAVHZCQF-CHWSQXEVSA-N 1 1 354.451 0.927 10 5 FCBEMO CC[N@H+](C)C(C)(C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001357037035 868071128 /nfs/dbraw/zinc/07/11/28/868071128.db2.gz UKRACRQAVHZCQF-CHWSQXEVSA-N 1 1 354.451 0.927 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001357037035 868071142 /nfs/dbraw/zinc/07/11/42/868071142.db2.gz UKRACRQAVHZCQF-CHWSQXEVSA-N 1 1 354.451 0.927 10 5 FCBEMO CCCCNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001324864142 869697680 /nfs/dbraw/zinc/69/76/80/869697680.db2.gz 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UDLDIBAFBBOUNT-NSHDSACASA-N 1 1 352.366 0.987 10 5 FCBEMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860195086 671874928 /nfs/dbraw/zinc/87/49/28/671874928.db2.gz NKNHYOAZHPWHHA-DOMZBBRYSA-N 1 1 357.432 0.889 10 5 FCBEMO CN(CCC[NH2+]Cc1nncn1-c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268790417 1187779955 /nfs/dbraw/zinc/77/99/55/1187779955.db2.gz FJLXTQLKFXODJK-HUUCEWRRSA-N 1 1 358.402 0.871 10 5 FCBEMO Cc1nn(C)cc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001271911289 1190758125 /nfs/dbraw/zinc/75/81/25/1190758125.db2.gz DCWNRFCBQAHJGR-HZPDHXFCSA-N 1 1 364.450 0.064 10 5 FCBEMO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000600069266 1194160662 /nfs/dbraw/zinc/16/06/62/1194160662.db2.gz QBLDNCJEHOWHCB-UHFFFAOYSA-N 1 1 372.385 0.769 10 5 FCBEMO COC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001136874624 1203293667 /nfs/dbraw/zinc/29/36/67/1203293667.db2.gz RPGKYTWWOYWVBB-XHDPSFHLSA-N 1 1 364.402 0.746 10 5 FCBEMO C[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001136874588 1203293985 /nfs/dbraw/zinc/29/39/85/1203293985.db2.gz QWOAUUNMKDSTEY-OCCSQVGLSA-N 1 1 373.417 0.540 10 5 FCBEMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773528980 1206308259 /nfs/dbraw/zinc/30/82/59/1206308259.db2.gz HTPRUNLFVCIJCC-GUYCJALGSA-N 1 1 373.413 0.594 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001196833007 1208109062 /nfs/dbraw/zinc/10/90/62/1208109062.db2.gz PEHFDBWWLMYFQL-CALCHBBNSA-N 1 1 360.370 0.826 10 5 FCBEMO COC(=O)[C@](C)(NC(=O)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000863300046 1209937454 /nfs/dbraw/zinc/93/74/54/1209937454.db2.gz CBWQDBPSMKRWSN-QGZVFWFLSA-N 1 1 365.386 0.822 10 5 FCBEMO CCc1nc(C)c(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)o1 ZINC001273969797 1209959531 /nfs/dbraw/zinc/95/95/31/1209959531.db2.gz YRABCKYSOSUWAA-CHWSQXEVSA-N 1 1 366.418 0.966 10 5 FCBEMO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1CCO ZINC000779316710 1212494086 /nfs/dbraw/zinc/49/40/86/1212494086.db2.gz KDUWTPYUGAWULQ-WBMJQRKESA-N 1 1 362.386 0.613 10 5 FCBEMO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1CCO ZINC000779316710 1212494087 /nfs/dbraw/zinc/49/40/87/1212494087.db2.gz KDUWTPYUGAWULQ-WBMJQRKESA-N 1 1 362.386 0.613 10 5 FCBEMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000840060382 1222768557 /nfs/dbraw/zinc/76/85/57/1222768557.db2.gz RGPWLOSLQUHWEO-IAGOWNOFSA-N 1 1 360.370 0.702 10 5 FCBEMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000840060382 1222768562 /nfs/dbraw/zinc/76/85/62/1222768562.db2.gz RGPWLOSLQUHWEO-IAGOWNOFSA-N 1 1 360.370 0.702 10 5 FCBEMO C[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@H+](C)CCO1 ZINC001516744498 1265570330 /nfs/dbraw/zinc/57/03/30/1265570330.db2.gz FEUPCJYHCFULKZ-DGCLKSJQSA-N 1 1 360.374 0.624 10 5 FCBEMO C[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC001516744498 1265570335 /nfs/dbraw/zinc/57/03/35/1265570335.db2.gz FEUPCJYHCFULKZ-DGCLKSJQSA-N 1 1 360.374 0.624 10 5 FCBEMO C[N@H+]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001472025537 1261426400 /nfs/dbraw/zinc/42/64/00/1261426400.db2.gz DSPOSKKEZKGOGL-AWEZNQCLSA-N 1 1 362.386 0.777 10 5 FCBEMO CNc1nccc(C(=O)NCCC[NH2+][C@H](C(=O)OC)C(C)C)c1[N+](=O)[O-] ZINC001472565542 1261475018 /nfs/dbraw/zinc/47/50/18/1261475018.db2.gz ZJBBUJGMWJJQHJ-LBPRGKRZSA-N 1 1 367.406 0.939 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001473775547 1261497380 /nfs/dbraw/zinc/49/73/80/1261497380.db2.gz TVWRENNWNQVTGJ-HZSPNIEDSA-N 1 1 370.427 0.701 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001473775547 1261497383 /nfs/dbraw/zinc/49/73/83/1261497383.db2.gz TVWRENNWNQVTGJ-HZSPNIEDSA-N 1 1 370.427 0.701 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001299281821 1262964078 /nfs/dbraw/zinc/96/40/78/1262964078.db2.gz SXYRFGSIYMMJGN-LBPRGKRZSA-N 1 1 360.374 0.314 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001299281821 1262964079 /nfs/dbraw/zinc/96/40/79/1262964079.db2.gz SXYRFGSIYMMJGN-LBPRGKRZSA-N 1 1 360.374 0.314 10 5 FCBEMO O=C(NCC1([NH2+]CCn2cc(Cl)cn2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001484182379 1263457656 /nfs/dbraw/zinc/45/76/56/1263457656.db2.gz SZLCVUDOVGZRFB-CHWSQXEVSA-N 1 1 371.825 0.457 10 5 FCBEMO Cc1nocc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484419415 1263470271 /nfs/dbraw/zinc/47/02/71/1263470271.db2.gz RNYAJNWJTSFFTD-HUUCEWRRSA-N 1 1 351.407 0.318 10 5 FCBEMO O=C(N[C@H]1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001484567415 1263478630 /nfs/dbraw/zinc/47/86/30/1263478630.db2.gz JMKVDGCLOWQZFL-AAVRWANBSA-N 1 1 366.418 0.065 10 5 FCBEMO CC(C)(C)n1nnc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001485683594 1263511562 /nfs/dbraw/zinc/51/15/62/1263511562.db2.gz WOPGWJRBQDFIKV-FDYHWXHSSA-N 1 1 365.438 0.120 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CC[NH2+]CCCN2CCCC2=O)CC1 ZINC001318887208 1263622537 /nfs/dbraw/zinc/62/25/37/1263622537.db2.gz YIZGAXJXCACTGY-HZPDHXFCSA-N 1 1 366.462 0.882 10 5 FCBEMO CCN(CC[NH2+]Cc1ccc2oc(=O)n(C)c2c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320734141 1263852529 /nfs/dbraw/zinc/85/25/29/1263852529.db2.gz DIWVMOSMZZLGRM-CHWSQXEVSA-N 1 1 362.386 0.735 10 5 FCBEMO CCCNC(=O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001496500823 1263880814 /nfs/dbraw/zinc/88/08/14/1263880814.db2.gz FXRADJRAFCDZAO-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO CCCNC(=O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001496500823 1263880827 /nfs/dbraw/zinc/88/08/27/1263880827.db2.gz FXRADJRAFCDZAO-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO CCCNC(=O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001496500823 1263880840 /nfs/dbraw/zinc/88/08/40/1263880840.db2.gz FXRADJRAFCDZAO-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO COc1cccc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001502869387 1264183698 /nfs/dbraw/zinc/18/36/98/1264183698.db2.gz NOINNDOYQDSSAT-ZIAGYGMSSA-N 1 1 364.402 0.199 10 5 FCBEMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCn2cncn2)CC2CC2)CC1 ZINC001323720301 1264494743 /nfs/dbraw/zinc/49/47/43/1264494743.db2.gz MIAGQXOKHFPFHB-HZPDHXFCSA-N 1 1 362.434 0.646 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCn2cncn2)CC2CC2)CC1 ZINC001323720301 1264494749 /nfs/dbraw/zinc/49/47/49/1264494749.db2.gz MIAGQXOKHFPFHB-HZPDHXFCSA-N 1 1 362.434 0.646 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCn2cncn2)CC2CC2)CC1 ZINC001323720301 1264494753 /nfs/dbraw/zinc/49/47/53/1264494753.db2.gz MIAGQXOKHFPFHB-HZPDHXFCSA-N 1 1 362.434 0.646 10 5 FCBEMO CCN(C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC001334073571 1266811009 /nfs/dbraw/zinc/81/10/09/1266811009.db2.gz XSWXBWSDXXWQIJ-AWEZNQCLSA-N 1 1 364.402 0.642 10 5 FCBEMO COc1cc(CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC001540521248 1267450080 /nfs/dbraw/zinc/45/00/80/1267450080.db2.gz WJBGSQYLLQVSCG-SJKOYZFVSA-N 1 1 367.402 0.726 10 5 FCBEMO CC[N@H+]1CC[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001557064598 1268924341 /nfs/dbraw/zinc/92/43/41/1268924341.db2.gz CMTKORBXXBHSJM-AWEZNQCLSA-N 1 1 370.431 0.426 10 5 FCBEMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198654 1269055161 /nfs/dbraw/zinc/05/51/61/1269055161.db2.gz WJGTVZWVKADCIW-LSDHHAIUSA-N 1 1 357.374 0.879 10 5 FCBEMO NC(=O)[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC001559996658 1269183379 /nfs/dbraw/zinc/18/33/79/1269183379.db2.gz CQBZGZQSDCOKRK-DTORHVGOSA-N 1 1 371.191 0.376 10 5 FCBEMO NC(=O)[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC001559996658 1269183386 /nfs/dbraw/zinc/18/33/86/1269183386.db2.gz CQBZGZQSDCOKRK-DTORHVGOSA-N 1 1 371.191 0.376 10 5 FCBEMO COC(=O)[C@]1(O)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001560098939 1269186076 /nfs/dbraw/zinc/18/60/76/1269186076.db2.gz WUYDJWJBZGUUQO-INIZCTEOSA-N 1 1 367.358 0.542 10 5 FCBEMO CN(Cc1cccs1)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591764 1287287294 /nfs/dbraw/zinc/28/72/94/1287287294.db2.gz WVKHGBGSZYKMNN-CHWSQXEVSA-N 1 1 354.432 0.420 10 5 FCBEMO CN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nccs1 ZINC001713948684 1287307754 /nfs/dbraw/zinc/30/77/54/1287307754.db2.gz VYXDUFKHMGLSEX-GWOFURMSSA-N 1 1 353.404 0.008 10 5 FCBEMO C[N@@H+](CC(=O)NCC1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717700453 1287431794 /nfs/dbraw/zinc/43/17/94/1287431794.db2.gz UWCVUERCWAKJRT-HUUCEWRRSA-N 1 1 352.435 0.491 10 5 FCBEMO C[N@H+](CC(=O)NCC1CCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717700453 1287431798 /nfs/dbraw/zinc/43/17/98/1287431798.db2.gz UWCVUERCWAKJRT-HUUCEWRRSA-N 1 1 352.435 0.491 10 5 FCBEMO C[N@@H+](CC(=O)NCC1CCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717700453 1287431804 /nfs/dbraw/zinc/43/18/04/1287431804.db2.gz UWCVUERCWAKJRT-HUUCEWRRSA-N 1 1 352.435 0.491 10 5 FCBEMO C[NH+](C)CCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001718235230 1287485470 /nfs/dbraw/zinc/48/54/70/1287485470.db2.gz OQSSBXRKBGIOST-ZIAGYGMSSA-N 1 1 354.451 0.929 10 5 FCBEMO CC1(C)[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC001631822622 1282117321 /nfs/dbraw/zinc/11/73/21/1282117321.db2.gz WWDFEDOCJZUUJX-HUUCEWRRSA-N 1 1 364.402 0.372 10 5 FCBEMO O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001634864107 1282361279 /nfs/dbraw/zinc/36/12/79/1282361279.db2.gz GVKNYYGNPMLBNT-KGLIPLIRSA-N 1 1 372.385 0.457 10 5 FCBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001635746005 1282429218 /nfs/dbraw/zinc/42/92/18/1282429218.db2.gz LLXVZVQOXPSIFX-RHSMWYFYSA-N 1 1 351.403 0.631 10 5 FCBEMO C[N@H+]1CC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001638901645 1282734081 /nfs/dbraw/zinc/73/40/81/1282734081.db2.gz UWVYBMGAFGRJHT-LBPRGKRZSA-N 1 1 356.404 0.084 10 5 FCBEMO O=C(CCCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001703990256 1286169157 /nfs/dbraw/zinc/16/91/57/1286169157.db2.gz MAGURDOZSTYRPZ-GAGVYUBLSA-N 1 1 364.446 0.491 10 5 FCBEMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc(C[NH+](C)C)c1 ZINC001704276574 1286209940 /nfs/dbraw/zinc/20/99/40/1286209940.db2.gz XIGFJQLFACEQSD-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO C[NH+](C)CCC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001704753249 1286293723 /nfs/dbraw/zinc/29/37/23/1286293723.db2.gz HPOBWICCTAWIQQ-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO O=C(CCC[NH+]1CCCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720875473 1288269684 /nfs/dbraw/zinc/26/96/84/1288269684.db2.gz OUYRCXXGASMNLG-GAGVYUBLSA-N 1 1 364.446 0.491 10 5 FCBEMO CC[N@@H+](C)CCC(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001721574985 1288352993 /nfs/dbraw/zinc/35/29/93/1288352993.db2.gz HDGCCRKVDOKVMY-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CC[N@H+](C)CCC(=O)N1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001721574985 1288352999 /nfs/dbraw/zinc/35/29/99/1288352999.db2.gz HDGCCRKVDOKVMY-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CC[N@@H+](C)CCC(=O)N1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001721574985 1288353007 /nfs/dbraw/zinc/35/30/07/1288353007.db2.gz HDGCCRKVDOKVMY-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO Cc1cc(C)n(CC[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)n1 ZINC001724355220 1288438165 /nfs/dbraw/zinc/43/81/65/1288438165.db2.gz HVGQBYYWMMYKPB-HUUCEWRRSA-N 1 1 365.434 0.420 10 5 FCBEMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC001731803733 1288566121 /nfs/dbraw/zinc/56/61/21/1288566121.db2.gz SVKXEXSXQYRINK-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC001731803733 1288566123 /nfs/dbraw/zinc/56/61/23/1288566123.db2.gz SVKXEXSXQYRINK-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC001731803733 1288566125 /nfs/dbraw/zinc/56/61/25/1288566125.db2.gz SVKXEXSXQYRINK-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)N1CCCCCC1 ZINC001733717089 1288626476 /nfs/dbraw/zinc/62/64/76/1288626476.db2.gz WISLWTMSVYLVMD-ZIAGYGMSSA-N 1 1 352.435 0.683 10 5 FCBEMO O=C(NC1(C[NH2+]Cc2cc(C3CC3)no2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001733829582 1288632662 /nfs/dbraw/zinc/63/26/62/1288632662.db2.gz ZJFJSKALYWATIM-UKRRQHHQSA-N 1 1 364.402 0.972 10 5 FCBEMO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CCCCC1 ZINC001734205281 1288645291 /nfs/dbraw/zinc/64/52/91/1288645291.db2.gz NDOROQODIILJMH-NMFUWQPSSA-N 1 1 352.435 0.585 10 5 FCBEMO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001737479476 1289551477 /nfs/dbraw/zinc/55/14/77/1289551477.db2.gz FEKNJRFVQGFWAB-LXTVHRRPSA-N 1 1 352.435 0.681 10 5 FCBEMO C[NH+](C)CC1(C(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001739167593 1289818464 /nfs/dbraw/zinc/81/84/64/1289818464.db2.gz XZQZQHLEUPEZAL-ZIAGYGMSSA-N 1 1 350.419 0.268 10 5 FCBEMO CN(C(=O)C[NH+]1CCC(c2nnnn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001620554855 1289999698 /nfs/dbraw/zinc/99/96/98/1289999698.db2.gz CTXOBPHBTOQFOR-UHFFFAOYSA-N 1 1 359.390 0.961 10 5 FCBEMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001628975016 1290566207 /nfs/dbraw/zinc/56/62/07/1290566207.db2.gz KVHHDQSQTGEQFI-NSHDSACASA-N 1 1 367.381 0.668 10 5 FCBEMO CC1(C)[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001644251593 1290949862 /nfs/dbraw/zinc/94/98/62/1290949862.db2.gz ITYNJIJWWUAOIN-KBPBESRZSA-N 1 1 351.407 0.797 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001644666336 1290970484 /nfs/dbraw/zinc/97/04/84/1290970484.db2.gz VMDBONWSVFBJLN-HNNXBMFYSA-N 1 1 362.386 0.727 10 5 FCBEMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001645220033 1291009627 /nfs/dbraw/zinc/00/96/27/1291009627.db2.gz CTTJYMMPNVQDEP-PXAZEXFGSA-N 1 1 361.402 0.975 10 5 FCBEMO C[N@H+]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC001647970761 1291090724 /nfs/dbraw/zinc/09/07/24/1291090724.db2.gz ITMHCFVCLAEFFN-ZDUSSCGKSA-N 1 1 350.375 0.501 10 5 FCBEMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c2n1CCC2 ZINC001651792147 1291239728 /nfs/dbraw/zinc/23/97/28/1291239728.db2.gz GZAKJPFMWMXQAD-UHFFFAOYSA-N 1 1 372.385 0.853 10 5 FCBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761314 1291297005 /nfs/dbraw/zinc/29/70/05/1291297005.db2.gz WEDDHYCEOSQTGQ-TZMCWYRMSA-N 1 1 352.391 0.378 10 5 FCBEMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC001654650608 1291424039 /nfs/dbraw/zinc/42/40/39/1291424039.db2.gz UTJUPMKNVXVONL-AWEZNQCLSA-N 1 1 366.418 0.668 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001656343555 1291512766 /nfs/dbraw/zinc/51/27/66/1291512766.db2.gz NNOTZZAZCKNZOO-RISCZKNCSA-N 1 1 368.415 0.311 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001656343555 1291512769 /nfs/dbraw/zinc/51/27/69/1291512769.db2.gz NNOTZZAZCKNZOO-RISCZKNCSA-N 1 1 368.415 0.311 10 5 FCBEMO COCC[N@@H+](Cc1ccnn1C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001670994258 1292029045 /nfs/dbraw/zinc/02/90/45/1292029045.db2.gz UIXMFXOOSRYXAI-HZPDHXFCSA-N 1 1 365.434 0.525 10 5 FCBEMO COCC[N@H+](Cc1ccnn1C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001670994258 1292029056 /nfs/dbraw/zinc/02/90/56/1292029056.db2.gz UIXMFXOOSRYXAI-HZPDHXFCSA-N 1 1 365.434 0.525 10 5 FCBEMO COCC[N@@H+](Cc1ccnn1C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001670994258 1292029065 /nfs/dbraw/zinc/02/90/65/1292029065.db2.gz UIXMFXOOSRYXAI-HZPDHXFCSA-N 1 1 365.434 0.525 10 5 FCBEMO C[N@@H+]1CC=C(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001137819000 849285751 /nfs/dbraw/zinc/28/57/51/849285751.db2.gz FYHDNJKJVIYSGU-UHFFFAOYSA-N 1 1 368.415 0.251 10 5 FCBEMO COCC[NH+](CCOC)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001144540027 849525573 /nfs/dbraw/zinc/52/55/73/849525573.db2.gz LDZIXTQYMSEEOL-UHFFFAOYSA-N 1 1 352.391 0.596 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001175569695 850768606 /nfs/dbraw/zinc/76/86/06/850768606.db2.gz QVULVYRQQQHLKF-SDDRHHMPSA-N 1 1 353.375 0.463 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001175569695 850768610 /nfs/dbraw/zinc/76/86/10/850768610.db2.gz QVULVYRQQQHLKF-SDDRHHMPSA-N 1 1 353.375 0.463 10 5 FCBEMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC001176414008 850787729 /nfs/dbraw/zinc/78/77/29/850787729.db2.gz VVTACCOWDDUZRI-CYBMUJFWSA-N 1 1 356.404 0.198 10 5 FCBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC001176414008 850787737 /nfs/dbraw/zinc/78/77/37/850787737.db2.gz VVTACCOWDDUZRI-CYBMUJFWSA-N 1 1 356.404 0.198 10 5 FCBEMO COC(=O)[C@@H]([NH2+]CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(C)C ZINC001183486186 851249273 /nfs/dbraw/zinc/24/92/73/851249273.db2.gz DJPOEELBXPSIHX-NSHDSACASA-N 1 1 355.395 0.544 10 5 FCBEMO C[C@@]1([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892539 853181549 /nfs/dbraw/zinc/18/15/49/853181549.db2.gz ZVTGFUXJWFYCGL-WBMJQRKESA-N 1 1 350.375 0.967 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CCCCC1 ZINC001264391410 859351759 /nfs/dbraw/zinc/35/17/59/859351759.db2.gz SJKBCGGEAKWHMR-FAAHXZRKSA-N 1 1 352.435 0.585 10 5 FCBEMO Cc1nc(C)c(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)o1 ZINC001281241958 863493583 /nfs/dbraw/zinc/49/35/83/863493583.db2.gz LMRSPNCTNXEFTE-CHWSQXEVSA-N 1 1 352.391 0.712 10 5 FCBEMO CC1([NH2+]CC(=O)NCC2CCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281489729 863523370 /nfs/dbraw/zinc/52/33/70/863523370.db2.gz QEXFKCOMVVFCBV-ZIAGYGMSSA-N 1 1 352.435 0.539 10 5 FCBEMO O=C(NC/C=C/CNC(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001285546714 864635327 /nfs/dbraw/zinc/63/53/27/864635327.db2.gz CFJFEGLZVQPOBZ-GEYXIOIISA-N 1 1 350.419 0.316 10 5 FCBEMO CC[N@@H+]1CC[C@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001290385962 865400803 /nfs/dbraw/zinc/40/08/03/865400803.db2.gz KRSRVTBTHYYHBN-ZDUSSCGKSA-N 1 1 370.431 0.621 10 5 FCBEMO CC[N@H+]1CC[C@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001290385962 865400805 /nfs/dbraw/zinc/40/08/05/865400805.db2.gz KRSRVTBTHYYHBN-ZDUSSCGKSA-N 1 1 370.431 0.621 10 5 FCBEMO C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001293157575 865779548 /nfs/dbraw/zinc/77/95/48/865779548.db2.gz CNMWZWXVSRFWBC-NSHDSACASA-N 1 1 356.404 0.084 10 5 FCBEMO CN(CC[N@@H+](C)CCO)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001301548274 866268620 /nfs/dbraw/zinc/26/86/20/866268620.db2.gz RHSCDYPXPALMSM-UHFFFAOYSA-N 1 1 353.375 0.752 10 5 FCBEMO CCC[N@@H+](C)CC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001356973011 868065681 /nfs/dbraw/zinc/06/56/81/868065681.db2.gz LZFVEQYTNGZRDL-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO CCC[N@@H+](C)CC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001356973011 868065658 /nfs/dbraw/zinc/06/56/58/868065658.db2.gz LZFVEQYTNGZRDL-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO CCC[N@H+](C)CC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001356973011 868065670 /nfs/dbraw/zinc/06/56/70/868065670.db2.gz LZFVEQYTNGZRDL-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO Cc1ncc(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)s1 ZINC001327634896 870984674 /nfs/dbraw/zinc/98/46/74/870984674.db2.gz NJXOFJAGMNBLDD-CHWSQXEVSA-N 1 1 354.432 0.872 10 5 FCBEMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000285238358 213308331 /nfs/dbraw/zinc/30/83/31/213308331.db2.gz XQLCXFFLTVGZGE-STQMWFEESA-N 1 1 359.379 0.828 10 5 FCBEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000285238358 213308334 /nfs/dbraw/zinc/30/83/34/213308334.db2.gz XQLCXFFLTVGZGE-STQMWFEESA-N 1 1 359.379 0.828 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285126941 213288114 /nfs/dbraw/zinc/28/81/14/213288114.db2.gz RKFYEKDTBOUSEY-KGLIPLIRSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285126941 213288116 /nfs/dbraw/zinc/28/81/16/213288116.db2.gz RKFYEKDTBOUSEY-KGLIPLIRSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284923918 213249911 /nfs/dbraw/zinc/24/99/11/213249911.db2.gz HLYYWNCCXLJDLA-GJZGRUSLSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284923918 213249914 /nfs/dbraw/zinc/24/99/14/213249914.db2.gz HLYYWNCCXLJDLA-GJZGRUSLSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000284369919 213122402 /nfs/dbraw/zinc/12/24/02/213122402.db2.gz BYWKUZIBHYTANL-ZIAGYGMSSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000284369919 213122406 /nfs/dbraw/zinc/12/24/06/213122406.db2.gz BYWKUZIBHYTANL-ZIAGYGMSSA-N 1 1 355.416 0.997 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246303581 209383513 /nfs/dbraw/zinc/38/35/13/209383513.db2.gz PWTVDFXTXKQEEV-IUODEOHRSA-N 1 1 361.406 0.958 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246318734 209383309 /nfs/dbraw/zinc/38/33/09/209383309.db2.gz CWWHFLHVQGMVPZ-UWWQBHOKSA-N 1 1 365.430 0.987 10 5 FCBEMO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000419320355 246096959 /nfs/dbraw/zinc/09/69/59/246096959.db2.gz DOSBPFIDWQSOJF-YCPHGPKFSA-N 1 1 353.419 0.721 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000419320355 246096967 /nfs/dbraw/zinc/09/69/67/246096967.db2.gz DOSBPFIDWQSOJF-YCPHGPKFSA-N 1 1 353.419 0.721 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000270546280 211222113 /nfs/dbraw/zinc/22/21/13/211222113.db2.gz QSMBWGATAIXQNK-AWEZNQCLSA-N 1 1 365.386 0.701 10 5 FCBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000090552739 208130332 /nfs/dbraw/zinc/13/03/32/208130332.db2.gz WHIBTYAYGRKLFP-AWEZNQCLSA-N 1 1 370.431 0.256 10 5 FCBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000090552739 208130337 /nfs/dbraw/zinc/13/03/37/208130337.db2.gz WHIBTYAYGRKLFP-AWEZNQCLSA-N 1 1 370.431 0.256 10 5 FCBEMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000326452763 488915335 /nfs/dbraw/zinc/91/53/35/488915335.db2.gz UDLUKGUJBITFEZ-SNVBAGLBSA-N 1 1 357.388 0.611 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000075969102 488400426 /nfs/dbraw/zinc/40/04/26/488400426.db2.gz QQIDPZHPRFWYSB-GDBMZVCRSA-N 1 1 353.423 0.339 10 5 FCBEMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246931836 488478275 /nfs/dbraw/zinc/47/82/75/488478275.db2.gz AUHOQGRBSOOVKO-YCPHGPKFSA-N 1 1 353.419 0.721 10 5 FCBEMO C[N@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247462609 488485530 /nfs/dbraw/zinc/48/55/30/488485530.db2.gz IMERQOZYECVXAX-DOTOQJQBSA-N 1 1 366.466 0.254 10 5 FCBEMO O=C1C[C@H](c2ccccc2)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000247645499 488489185 /nfs/dbraw/zinc/48/91/85/488489185.db2.gz UFWSVMGCRSOVGV-HZPDHXFCSA-N 1 1 359.386 0.715 10 5 FCBEMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000130015634 488635474 /nfs/dbraw/zinc/63/54/74/488635474.db2.gz BDQPQFWGCHGJQH-UHFFFAOYSA-N 1 1 372.429 0.725 10 5 FCBEMO C[N@@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273446565 488651527 /nfs/dbraw/zinc/65/15/27/488651527.db2.gz XHXGQZYAYUWSST-ZDUSSCGKSA-N 1 1 370.431 0.762 10 5 FCBEMO C[N@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273446565 488651529 /nfs/dbraw/zinc/65/15/29/488651529.db2.gz XHXGQZYAYUWSST-ZDUSSCGKSA-N 1 1 370.431 0.762 10 5 FCBEMO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000154771229 488747086 /nfs/dbraw/zinc/74/70/86/488747086.db2.gz PSHXMZZGNJTPRI-CQSZACIVSA-N 1 1 370.475 0.898 10 5 FCBEMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000159136413 488783164 /nfs/dbraw/zinc/78/31/64/488783164.db2.gz GMBWKFSVBJGZTH-KRWDZBQOSA-N 1 1 373.413 0.717 10 5 FCBEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@H]1C ZINC000174314362 488848607 /nfs/dbraw/zinc/84/86/07/488848607.db2.gz BXHHZZCLPNAEJO-QWHCGFSZSA-N 1 1 374.401 0.703 10 5 FCBEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@H]1C ZINC000174314362 488848608 /nfs/dbraw/zinc/84/86/08/488848608.db2.gz BXHHZZCLPNAEJO-QWHCGFSZSA-N 1 1 374.401 0.703 10 5 FCBEMO Cc1ncc(CN2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000174781354 488851144 /nfs/dbraw/zinc/85/11/44/488851144.db2.gz CPFJPJNWQJESAO-AWEZNQCLSA-N 1 1 366.447 0.735 10 5 FCBEMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000290845148 489169061 /nfs/dbraw/zinc/16/90/61/489169061.db2.gz JFLQDNYGJWIRDX-UHFFFAOYSA-N 1 1 353.404 0.778 10 5 FCBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285280811 489317931 /nfs/dbraw/zinc/31/79/31/489317931.db2.gz ZYGDTIYKYOXPDY-ZIAGYGMSSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285280811 489317934 /nfs/dbraw/zinc/31/79/34/489317934.db2.gz ZYGDTIYKYOXPDY-ZIAGYGMSSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285280808 489318332 /nfs/dbraw/zinc/31/83/32/489318332.db2.gz ZYGDTIYKYOXPDY-UONOGXRCSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285280808 489318334 /nfs/dbraw/zinc/31/83/34/489318334.db2.gz ZYGDTIYKYOXPDY-UONOGXRCSA-N 1 1 355.416 0.997 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299420423 489439847 /nfs/dbraw/zinc/43/98/47/489439847.db2.gz WVSZRHZPADYLKE-AWEZNQCLSA-N 1 1 364.402 0.757 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000490038677 489742480 /nfs/dbraw/zinc/74/24/80/489742480.db2.gz UMKAHWFEDYSUEA-NSHDSACASA-N 1 1 358.420 0.006 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000490038677 489742483 /nfs/dbraw/zinc/74/24/83/489742483.db2.gz UMKAHWFEDYSUEA-NSHDSACASA-N 1 1 358.420 0.006 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](O)(CO)C1 ZINC000459643467 489743665 /nfs/dbraw/zinc/74/36/65/489743665.db2.gz IFIMJOIQUHIDAN-MRXNPFEDSA-N 1 1 353.375 0.751 10 5 FCBEMO O=C(C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1)N1CCCC1 ZINC000478046189 490003296 /nfs/dbraw/zinc/00/32/96/490003296.db2.gz IVSBVTZZHZTLSL-AWEZNQCLSA-N 1 1 351.407 0.895 10 5 FCBEMO O=C(C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1)N1CCCC1 ZINC000478046189 490003297 /nfs/dbraw/zinc/00/32/97/490003297.db2.gz IVSBVTZZHZTLSL-AWEZNQCLSA-N 1 1 351.407 0.895 10 5 FCBEMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405727407 490185217 /nfs/dbraw/zinc/18/52/17/490185217.db2.gz VXCNZLXXRUTRPI-WDEREUQCSA-N 1 1 361.807 0.688 10 5 FCBEMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405727407 490185226 /nfs/dbraw/zinc/18/52/26/490185226.db2.gz VXCNZLXXRUTRPI-WDEREUQCSA-N 1 1 361.807 0.688 10 5 FCBEMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000408027743 490214552 /nfs/dbraw/zinc/21/45/52/490214552.db2.gz MGDRZSHVGQGAFI-LSDHHAIUSA-N 1 1 355.416 0.830 10 5 FCBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533409233 490229597 /nfs/dbraw/zinc/22/95/97/490229597.db2.gz MULOBBVXXGAAJJ-ZJUUUORDSA-N 1 1 364.358 0.848 10 5 FCBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533409233 490229603 /nfs/dbraw/zinc/22/96/03/490229603.db2.gz MULOBBVXXGAAJJ-ZJUUUORDSA-N 1 1 364.358 0.848 10 5 FCBEMO Cc1nn(C)c(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000408105720 490251224 /nfs/dbraw/zinc/25/12/24/490251224.db2.gz IARBXYNOYWDFGW-LLVKDONJSA-N 1 1 351.407 0.962 10 5 FCBEMO C[N@H+]1CCC[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000498261363 490278789 /nfs/dbraw/zinc/27/87/89/490278789.db2.gz HGKWVBHWGOXVBA-CYBMUJFWSA-N 1 1 370.431 0.621 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000564571061 491314515 /nfs/dbraw/zinc/31/45/15/491314515.db2.gz JYKRUAIKKKGPGH-HNNXBMFYSA-N 1 1 371.459 0.805 10 5 FCBEMO COC(=O)COc1ccc(CN2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449786712 490428074 /nfs/dbraw/zinc/42/80/74/490428074.db2.gz PRBXQIWGUCYREN-ZDUSSCGKSA-N 1 1 367.402 0.645 10 5 FCBEMO CNS(=O)(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450612273 490478649 /nfs/dbraw/zinc/47/86/49/490478649.db2.gz JWOOLIQTRFTMCC-LBPRGKRZSA-N 1 1 372.447 0.762 10 5 FCBEMO COC(=O)c1cc(C)nc(NC[C@@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000450609120 490479717 /nfs/dbraw/zinc/47/97/17/490479717.db2.gz DTSVSLWMKBOINJ-LBPRGKRZSA-N 1 1 352.391 1.344 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000535421944 490488505 /nfs/dbraw/zinc/48/85/05/490488505.db2.gz BGXSNDIBQYJLEH-LBPRGKRZSA-N 1 1 365.386 0.895 10 5 FCBEMO COC(=O)[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000413899590 490507560 /nfs/dbraw/zinc/50/75/60/490507560.db2.gz JTFWYRJYQIZQAC-SNVBAGLBSA-N 1 1 371.340 0.979 10 5 FCBEMO NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000512267199 490669804 /nfs/dbraw/zinc/66/98/04/490669804.db2.gz WMGOZXODBZZXRM-OLZOCXBDSA-N 1 1 359.404 0.087 10 5 FCBEMO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]C[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000518377077 490938220 /nfs/dbraw/zinc/93/82/20/490938220.db2.gz RIJWCUVADROJHJ-GFCCVEGCSA-N 1 1 356.329 0.699 10 5 FCBEMO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000544143465 490958802 /nfs/dbraw/zinc/95/88/02/490958802.db2.gz XDNZKLVPVPWLFR-CHWSQXEVSA-N 1 1 358.416 0.701 10 5 FCBEMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000544143465 490958805 /nfs/dbraw/zinc/95/88/05/490958805.db2.gz XDNZKLVPVPWLFR-CHWSQXEVSA-N 1 1 358.416 0.701 10 5 FCBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596362957 491984587 /nfs/dbraw/zinc/98/45/87/491984587.db2.gz GBBKOVYFHAKRON-LBPRGKRZSA-N 1 1 373.479 0.926 10 5 FCBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596362957 491984589 /nfs/dbraw/zinc/98/45/89/491984589.db2.gz GBBKOVYFHAKRON-LBPRGKRZSA-N 1 1 373.479 0.926 10 5 FCBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596361054 491984842 /nfs/dbraw/zinc/98/48/42/491984842.db2.gz OXZRYDRZVNMELO-LBPRGKRZSA-N 1 1 373.479 0.926 10 5 FCBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596361054 491984844 /nfs/dbraw/zinc/98/48/44/491984844.db2.gz OXZRYDRZVNMELO-LBPRGKRZSA-N 1 1 373.479 0.926 10 5 FCBEMO C[C@@H]1CC[N@@H+](CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000573336710 491427339 /nfs/dbraw/zinc/42/73/39/491427339.db2.gz ZEGILEAGUVLHDQ-GFCCVEGCSA-N 1 1 370.431 0.331 10 5 FCBEMO O=C1C[C@]2(CC[N@@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)CN1 ZINC000574626647 491509062 /nfs/dbraw/zinc/50/90/62/491509062.db2.gz ASVJEGIEHWKJGZ-SUMWQHHRSA-N 1 1 358.354 0.439 10 5 FCBEMO O=C1C[C@]2(CC[N@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)CN1 ZINC000574626647 491509065 /nfs/dbraw/zinc/50/90/65/491509065.db2.gz ASVJEGIEHWKJGZ-SUMWQHHRSA-N 1 1 358.354 0.439 10 5 FCBEMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560666766 491551537 /nfs/dbraw/zinc/55/15/37/491551537.db2.gz ITTJDMXPONCESS-CYBMUJFWSA-N 1 1 358.398 0.832 10 5 FCBEMO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000569109756 491634482 /nfs/dbraw/zinc/63/44/82/491634482.db2.gz BWDDUNNKBWCUQH-TYNCELHUSA-N 1 1 367.427 0.967 10 5 FCBEMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590442900 491776757 /nfs/dbraw/zinc/77/67/57/491776757.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)s1 ZINC000595383210 491926229 /nfs/dbraw/zinc/92/62/29/491926229.db2.gz AWJNUVPZMJKBRU-NSHDSACASA-N 1 1 361.445 0.876 10 5 FCBEMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595384887 491926932 /nfs/dbraw/zinc/92/69/32/491926932.db2.gz PKWOIIWUGIOVIL-HNNXBMFYSA-N 1 1 369.443 0.956 10 5 FCBEMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596540438 491989507 /nfs/dbraw/zinc/98/95/07/491989507.db2.gz SOZQNIPLAPGMJQ-GFCCVEGCSA-N 1 1 370.431 0.278 10 5 FCBEMO CCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945606 492074161 /nfs/dbraw/zinc/07/41/61/492074161.db2.gz JOUFDGOBDRKZTI-LLVKDONJSA-N 1 1 356.404 0.408 10 5 FCBEMO COCC[N@H+]1CCC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592061 492106314 /nfs/dbraw/zinc/10/63/14/492106314.db2.gz DMLCKKROBGWFET-ZDUSSCGKSA-N 1 1 366.422 0.744 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)n1 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IXYLKIAVGPANOQ-ZBFHGGJFSA-N 1 1 354.407 0.670 10 5 FCBEMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC001567317511 1269688066 /nfs/dbraw/zinc/68/80/66/1269688066.db2.gz OYYHSYLIOXOTIL-KRWDZBQOSA-N 1 1 359.386 0.636 10 5 FCBEMO COc1coc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O ZINC001570197157 1269846850 /nfs/dbraw/zinc/84/68/50/1269846850.db2.gz XZKYDMUKFDMOLO-CHWSQXEVSA-N 1 1 353.375 0.594 10 5 FCBEMO CN(CC1CCCCC1)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001713159300 1287267813 /nfs/dbraw/zinc/26/78/13/1287267813.db2.gz VSSVAQLLFVAHCS-KLHDSHLOSA-N 1 1 366.462 0.927 10 5 FCBEMO CN(CCNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580915729 1279120157 /nfs/dbraw/zinc/12/01/57/1279120157.db2.gz ANAJRKPBINJARZ-ZIAGYGMSSA-N 1 1 354.451 0.738 10 5 FCBEMO CC(C)(C)NC(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001715300113 1287349121 /nfs/dbraw/zinc/34/91/21/1287349121.db2.gz MOQLTGPQFMPISU-CHWSQXEVSA-N 1 1 369.466 0.768 10 5 FCBEMO Cc1nn(C)cc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001716904115 1287392481 /nfs/dbraw/zinc/39/24/81/1287392481.db2.gz DJYMJSZVSMLZTN-ZIAGYGMSSA-N 1 1 351.407 0.149 10 5 FCBEMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC001632382077 1282171169 /nfs/dbraw/zinc/17/11/69/1282171169.db2.gz GYIXAYKDFVUMPW-ZDUSSCGKSA-N 1 1 373.207 0.736 10 5 FCBEMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C1 ZINC001587229057 1282341465 /nfs/dbraw/zinc/34/14/65/1282341465.db2.gz VSNGQAZTKSZXLS-GFCCVEGCSA-N 1 1 359.390 0.984 10 5 FCBEMO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001587297510 1282346900 /nfs/dbraw/zinc/34/69/00/1282346900.db2.gz XFGYCXLEKJKWEP-CXAGYDPISA-N 1 1 351.403 0.887 10 5 FCBEMO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC001634827695 1282358959 /nfs/dbraw/zinc/35/89/59/1282358959.db2.gz IUMQNNUONZEPMJ-NEPJUHHUSA-N 1 1 370.431 0.472 10 5 FCBEMO CC(C)[NH+]1CCC(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001704884357 1286314696 /nfs/dbraw/zinc/31/46/96/1286314696.db2.gz PATGAGLZYIUZHV-HUUCEWRRSA-N 1 1 354.451 0.689 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001705313859 1286378041 /nfs/dbraw/zinc/37/80/41/1286378041.db2.gz VLVOBXKIZRLUHO-QKPAOTATSA-N 1 1 366.462 0.975 10 5 FCBEMO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001705313859 1286378052 /nfs/dbraw/zinc/37/80/52/1286378052.db2.gz VLVOBXKIZRLUHO-QKPAOTATSA-N 1 1 366.462 0.975 10 5 FCBEMO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001705313859 1286378056 /nfs/dbraw/zinc/37/80/56/1286378056.db2.gz VLVOBXKIZRLUHO-QKPAOTATSA-N 1 1 366.462 0.975 10 5 FCBEMO CCN(C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001724285395 1288435114 /nfs/dbraw/zinc/43/51/14/1288435114.db2.gz KDFVWHBENZJNMW-HUUCEWRRSA-N 1 1 366.462 0.881 10 5 FCBEMO CC1([NH2+]CCCN2CCCC2=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001724954205 1288456585 /nfs/dbraw/zinc/45/65/85/1288456585.db2.gz BMWKNKATCZKLKJ-ZIAGYGMSSA-N 1 1 352.435 0.635 10 5 FCBEMO CN(CC(C)(C)C[NH2+]CC(=O)NCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001725181215 1288459807 /nfs/dbraw/zinc/45/98/07/1288459807.db2.gz JUXHEJPJICQCHO-CHWSQXEVSA-N 1 1 356.467 0.888 10 5 FCBEMO CN(CC[NH2+]CC(=O)NCc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731910946 1288570294 /nfs/dbraw/zinc/57/02/94/1288570294.db2.gz DYOOJGXCCKXEHJ-TZMCWYRMSA-N 1 1 352.366 0.155 10 5 FCBEMO CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001733564334 1288619940 /nfs/dbraw/zinc/61/99/40/1288619940.db2.gz YWROWVPCIPULCU-YIDVYQOGSA-N 1 1 366.462 0.927 10 5 FCBEMO CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001733564334 1288619946 /nfs/dbraw/zinc/61/99/46/1288619946.db2.gz YWROWVPCIPULCU-YIDVYQOGSA-N 1 1 366.462 0.927 10 5 FCBEMO CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001733564334 1288619950 /nfs/dbraw/zinc/61/99/50/1288619950.db2.gz YWROWVPCIPULCU-YIDVYQOGSA-N 1 1 366.462 0.927 10 5 FCBEMO CC1CC[NH+](CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001734734683 1288672159 /nfs/dbraw/zinc/67/21/59/1288672159.db2.gz OATMYXNCYSFAJE-HUUCEWRRSA-N 1 1 368.478 0.984 10 5 FCBEMO CCn1cc(CC[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)cn1 ZINC001700246302 1289589667 /nfs/dbraw/zinc/58/96/67/1289589667.db2.gz ITEKQXCIUBCXTH-HUUCEWRRSA-N 1 1 365.434 0.366 10 5 FCBEMO O=C(C[NH+]1CCCC1)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001702055687 1289724564 /nfs/dbraw/zinc/72/45/64/1289724564.db2.gz WQVGUTUHDDSQGA-HUUCEWRRSA-N 1 1 350.419 0.412 10 5 FCBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC001620461641 1289990259 /nfs/dbraw/zinc/99/02/59/1289990259.db2.gz ZWRIKNYWCDPXOY-LSDHHAIUSA-N 1 1 358.402 0.950 10 5 FCBEMO 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ZINC001643885960 1290923333 /nfs/dbraw/zinc/92/33/33/1290923333.db2.gz MRRPSCXNWOVPIQ-CYBMUJFWSA-N 1 1 350.375 0.501 10 5 FCBEMO O=C(CC[N@H+]1C[C@H](CO)[C@H](CCO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648635946 1291134186 /nfs/dbraw/zinc/13/41/86/1291134186.db2.gz WNAYULXMKKSBKL-VXGBXAGGSA-N 1 1 355.366 0.985 10 5 FCBEMO CCN(CC)C(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001651978835 1291254213 /nfs/dbraw/zinc/25/42/13/1291254213.db2.gz ZHFCXIPPXZZXES-UHFFFAOYSA-N 1 1 351.411 0.712 10 5 FCBEMO C[C@]12C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@]1(C)C(=O)NC2=O ZINC001654477644 1291413251 /nfs/dbraw/zinc/41/32/51/1291413251.db2.gz IEURNLRHOAFZGD-HDICACEKSA-N 1 1 372.381 0.469 10 5 FCBEMO CN1C(=O)[C@H]2C[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]2C1=O ZINC001654537942 1291416868 /nfs/dbraw/zinc/41/68/68/1291416868.db2.gz IDSZEYJUWDEIIG-PHIMTYICSA-N 1 1 357.326 0.691 10 5 FCBEMO CN1C(=O)[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]2C1=O ZINC001654537942 1291416872 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CCOc1ccc(NC(=O)CN2CC[N@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001655118780 1291456907 /nfs/dbraw/zinc/45/69/07/1291456907.db2.gz PWEFSGFBMIVVQU-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO CCOc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001655118780 1291456909 /nfs/dbraw/zinc/45/69/09/1291456909.db2.gz PWEFSGFBMIVVQU-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001655527697 1291472160 /nfs/dbraw/zinc/47/21/60/1291472160.db2.gz OYJMKRLEWQKAPT-NSHDSACASA-N 1 1 371.415 0.753 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001655527697 1291472163 /nfs/dbraw/zinc/47/21/63/1291472163.db2.gz OYJMKRLEWQKAPT-NSHDSACASA-N 1 1 371.415 0.753 10 5 FCBEMO Cn1cc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)c([N+](=O)[O-])n1 ZINC001656492883 1291533856 /nfs/dbraw/zinc/53/38/56/1291533856.db2.gz FHSHUMDLZIFEHV-UHFFFAOYSA-N 1 1 351.407 0.980 10 5 FCBEMO O=C(C[NH+]1CCC(Cc2nn[nH]n2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001660005413 1291650247 /nfs/dbraw/zinc/65/02/47/1291650247.db2.gz COAVPBNCHJMXFH-UHFFFAOYSA-N 1 1 371.401 0.952 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001134086128 849173570 /nfs/dbraw/zinc/17/35/70/849173570.db2.gz YWYXHOTYWZFZPJ-CQSZACIVSA-N 1 1 351.407 0.859 10 5 FCBEMO Nc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001164643561 850419921 /nfs/dbraw/zinc/41/99/21/850419921.db2.gz JLCGRODKYJGSDP-MRVPVSSYSA-N 1 1 358.757 0.861 10 5 FCBEMO Nc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001164643561 850419928 /nfs/dbraw/zinc/41/99/28/850419928.db2.gz JLCGRODKYJGSDP-MRVPVSSYSA-N 1 1 358.757 0.861 10 5 FCBEMO CS(=O)(=O)NC[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001175956305 850778962 /nfs/dbraw/zinc/77/89/62/850778962.db2.gz UFBWVDAAAGAGMJ-OLZOCXBDSA-N 1 1 373.431 0.206 10 5 FCBEMO COC(=O)[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001176902484 850814172 /nfs/dbraw/zinc/81/41/72/850814172.db2.gz MJIOIFCSWDLDJC-MJBXVCDLSA-N 1 1 352.343 0.522 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@H](CO)C1 ZINC001196760090 853010547 /nfs/dbraw/zinc/01/05/47/853010547.db2.gz SJTBRZOKLZVSFR-ZDUSSCGKSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@H](CO)C1 ZINC001196760090 853010552 /nfs/dbraw/zinc/01/05/52/853010552.db2.gz SJTBRZOKLZVSFR-ZDUSSCGKSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@H](CO)C1 ZINC001196760090 853010560 /nfs/dbraw/zinc/01/05/60/853010560.db2.gz SJTBRZOKLZVSFR-ZDUSSCGKSA-N 1 1 352.391 0.540 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCc2ccns2)CC1 ZINC001274515884 860767760 /nfs/dbraw/zinc/76/77/60/860767760.db2.gz NBCBIOJCSLFLBH-CHWSQXEVSA-N 1 1 354.432 0.294 10 5 FCBEMO O=C(NC1(CO)CC[NH+](CCC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001274910062 860870047 /nfs/dbraw/zinc/87/00/47/860870047.db2.gz AQTLDNZGMYFMKN-HUUCEWRRSA-N 1 1 355.435 0.411 10 5 FCBEMO O=C(CCC[NH+]1CCCCC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284965267 864603543 /nfs/dbraw/zinc/60/35/43/864603543.db2.gz XAQSVOMQYOECCK-HUUCEWRRSA-N 1 1 352.435 0.492 10 5 FCBEMO CC[N@@H+]1CC[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001290385961 865400830 /nfs/dbraw/zinc/40/08/30/865400830.db2.gz KRSRVTBTHYYHBN-CYBMUJFWSA-N 1 1 370.431 0.621 10 5 FCBEMO CC[N@H+]1CC[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001290385961 865400832 /nfs/dbraw/zinc/40/08/32/865400832.db2.gz KRSRVTBTHYYHBN-CYBMUJFWSA-N 1 1 370.431 0.621 10 5 FCBEMO COCC[NH+](CCOC)C1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001300199797 866215458 /nfs/dbraw/zinc/21/54/58/866215458.db2.gz YTISDHAPOGCIOP-UHFFFAOYSA-N 1 1 352.391 0.596 10 5 FCBEMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001322927723 868993266 /nfs/dbraw/zinc/99/32/66/868993266.db2.gz SIZIEWCWGXEKCF-GFCCVEGCSA-N 1 1 350.375 0.300 10 5 FCBEMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285194726 213301427 /nfs/dbraw/zinc/30/14/27/213301427.db2.gz VNVMYHQZKZOQKX-GJZGRUSLSA-N 1 1 355.416 0.830 10 5 FCBEMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246273059 209383046 /nfs/dbraw/zinc/38/30/46/209383046.db2.gz MOVBOLOXBMCUJU-DLBZAZTESA-N 1 1 362.430 0.867 10 5 FCBEMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000275645314 212065316 /nfs/dbraw/zinc/06/53/16/212065316.db2.gz KVWXIONARCNQNT-LLVKDONJSA-N 1 1 359.404 0.602 10 5 FCBEMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000275645314 212065318 /nfs/dbraw/zinc/06/53/18/212065318.db2.gz KVWXIONARCNQNT-LLVKDONJSA-N 1 1 359.404 0.602 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419344321 246107531 /nfs/dbraw/zinc/10/75/31/246107531.db2.gz RXBKDVHWMYOBBM-KBPBESRZSA-N 1 1 350.419 0.945 10 5 FCBEMO Cc1c(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000453819894 249374494 /nfs/dbraw/zinc/37/44/94/249374494.db2.gz NUYJWXURMQUTKL-CYBMUJFWSA-N 1 1 364.402 0.805 10 5 FCBEMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529891 208131279 /nfs/dbraw/zinc/13/12/79/208131279.db2.gz REPYZEKNVAQRTH-MRXNPFEDSA-N 1 1 363.462 0.858 10 5 FCBEMO COCC[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106108197 208210221 /nfs/dbraw/zinc/21/02/21/208210221.db2.gz RZVLDXISBJRXTG-HOCLYGCPSA-N 1 1 353.419 0.987 10 5 FCBEMO COCCN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106108197 208210231 /nfs/dbraw/zinc/21/02/31/208210231.db2.gz RZVLDXISBJRXTG-HOCLYGCPSA-N 1 1 353.419 0.987 10 5 FCBEMO COCCN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106108197 208210235 /nfs/dbraw/zinc/21/02/35/208210235.db2.gz RZVLDXISBJRXTG-HOCLYGCPSA-N 1 1 353.419 0.987 10 5 FCBEMO CC[C@H](CO)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000266202861 210303084 /nfs/dbraw/zinc/30/30/84/210303084.db2.gz JXCIRSACCRVUCC-LLVKDONJSA-N 1 1 358.420 0.135 10 5 FCBEMO O=C([C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCOCC1 ZINC000179313460 209075542 /nfs/dbraw/zinc/07/55/42/209075542.db2.gz KFUIXBSFRGILNG-AWEZNQCLSA-N 1 1 364.402 0.327 10 5 FCBEMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003655 488910066 /nfs/dbraw/zinc/91/00/66/488910066.db2.gz DCNFRXCARYJBHW-BZNIZROVSA-N 1 1 364.358 0.009 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000268707345 488443905 /nfs/dbraw/zinc/44/39/05/488443905.db2.gz WIOCBBZBTVPQJG-UHFFFAOYSA-N 1 1 367.381 0.552 10 5 FCBEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247775778 488489408 /nfs/dbraw/zinc/48/94/08/488489408.db2.gz QNBJELSTHRQZGR-KGLIPLIRSA-N 1 1 350.419 0.945 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000248447314 488496995 /nfs/dbraw/zinc/49/69/95/488496995.db2.gz HETKUMLNXTWKSH-BFYDXBDKSA-N 1 1 365.430 0.987 10 5 FCBEMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000269432396 488502528 /nfs/dbraw/zinc/50/25/28/488502528.db2.gz BUPNBVDFEXLJCE-AWEZNQCLSA-N 1 1 365.386 0.910 10 5 FCBEMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000133787795 488662126 /nfs/dbraw/zinc/66/21/26/488662126.db2.gz HGOMCKZLKDUVRN-UHFFFAOYSA-N 1 1 373.417 0.467 10 5 FCBEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC000152965690 488724990 /nfs/dbraw/zinc/72/49/90/488724990.db2.gz BGRCBETUZBOLNA-CYBMUJFWSA-N 1 1 366.422 0.185 10 5 FCBEMO CCOC(=O)C1(O)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266927496 488744926 /nfs/dbraw/zinc/74/49/26/488744926.db2.gz NOEUWCXYXYJJQT-AWEZNQCLSA-N 1 1 368.386 0.725 10 5 FCBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000159856377 488787873 /nfs/dbraw/zinc/78/78/73/488787873.db2.gz LWAXZVKKMNDNRW-HNNXBMFYSA-N 1 1 350.419 0.943 10 5 FCBEMO O=C1C[C@H](c2ccccc2)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000173612491 488844176 /nfs/dbraw/zinc/84/41/76/488844176.db2.gz UFWSVMGCRSOVGV-JKSUJKDBSA-N 1 1 359.386 0.715 10 5 FCBEMO O=c1nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289398531 489064375 /nfs/dbraw/zinc/06/43/75/489064375.db2.gz KTZDJMMPGXXRMZ-DGCLKSJQSA-N 1 1 363.374 0.626 10 5 FCBEMO O=C(CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365527714 489084284 /nfs/dbraw/zinc/08/42/84/489084284.db2.gz IJUIHYUSUCGKCV-INIZCTEOSA-N 1 1 361.358 0.597 10 5 FCBEMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC000286188922 489366325 /nfs/dbraw/zinc/36/63/25/489366325.db2.gz QSKGQCKDVQODAV-UHFFFAOYSA-N 1 1 372.385 0.887 10 5 FCBEMO C[N@H+]1CCC[C@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299238139 489422631 /nfs/dbraw/zinc/42/26/31/489422631.db2.gz AOIVMBGNRJIJIV-NSHDSACASA-N 1 1 352.416 0.996 10 5 FCBEMO COc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000415787036 489553267 /nfs/dbraw/zinc/55/32/67/489553267.db2.gz QEQJSGYGPFOEAC-OAHLLOKOSA-N 1 1 354.338 0.702 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426484318 489569795 /nfs/dbraw/zinc/56/97/95/489569795.db2.gz GDIZKSODUJVGNZ-QWHCGFSZSA-N 1 1 366.418 0.929 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426484318 489569797 /nfs/dbraw/zinc/56/97/97/489569797.db2.gz GDIZKSODUJVGNZ-QWHCGFSZSA-N 1 1 366.418 0.929 10 5 FCBEMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426483516 489570256 /nfs/dbraw/zinc/57/02/56/489570256.db2.gz JAQNSLWETIVUHH-QWHCGFSZSA-N 1 1 366.418 0.929 10 5 FCBEMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426483516 489570258 /nfs/dbraw/zinc/57/02/58/489570258.db2.gz JAQNSLWETIVUHH-QWHCGFSZSA-N 1 1 366.418 0.929 10 5 FCBEMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416304654 489581819 /nfs/dbraw/zinc/58/18/19/489581819.db2.gz ZLYWGTIGJKFCGO-OLZOCXBDSA-N 1 1 364.402 0.238 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000427628106 489615951 /nfs/dbraw/zinc/61/59/51/489615951.db2.gz GAAIYCRBQKICGN-NSHDSACASA-N 1 1 373.435 0.002 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457116367 489636274 /nfs/dbraw/zinc/63/62/74/489636274.db2.gz IYAROLNFKNKARL-ZDUSSCGKSA-N 1 1 359.386 0.919 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457116367 489636276 /nfs/dbraw/zinc/63/62/76/489636276.db2.gz IYAROLNFKNKARL-ZDUSSCGKSA-N 1 1 359.386 0.919 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459639701 489743984 /nfs/dbraw/zinc/74/39/84/489743984.db2.gz DKIOBDRQHSGQHK-MRXNPFEDSA-N 1 1 353.375 0.751 10 5 FCBEMO 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10 5 FCBEMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)C2)C1 ZINC001298594552 1262932359 /nfs/dbraw/zinc/93/23/59/1262932359.db2.gz GEUBMSGMWUGABP-INIZCTEOSA-N 1 1 357.374 0.738 10 5 FCBEMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccn(C)c(=O)c1 ZINC001481350908 1263438687 /nfs/dbraw/zinc/43/86/87/1263438687.db2.gz SDCCVVOLRZFMAD-HUUCEWRRSA-N 1 1 350.419 0.767 10 5 FCBEMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccn(C)c(=O)c1 ZINC001481350908 1263438690 /nfs/dbraw/zinc/43/86/90/1263438690.db2.gz SDCCVVOLRZFMAD-HUUCEWRRSA-N 1 1 350.419 0.767 10 5 FCBEMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccn(C)c(=O)c1 ZINC001481350908 1263438701 /nfs/dbraw/zinc/43/87/01/1263438701.db2.gz SDCCVVOLRZFMAD-HUUCEWRRSA-N 1 1 350.419 0.767 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001486762098 1263550520 /nfs/dbraw/zinc/55/05/20/1263550520.db2.gz RCMFHYAOSKRBMS-CHWSQXEVSA-N 1 1 356.467 0.983 10 5 FCBEMO CC[N@H+](C)C(C)(C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486762098 1263550528 /nfs/dbraw/zinc/55/05/28/1263550528.db2.gz RCMFHYAOSKRBMS-CHWSQXEVSA-N 1 1 356.467 0.983 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486762098 1263550539 /nfs/dbraw/zinc/55/05/39/1263550539.db2.gz RCMFHYAOSKRBMS-CHWSQXEVSA-N 1 1 356.467 0.983 10 5 FCBEMO O=C(NCCCN(C(=O)C12CC[NH+](CC1)C2)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001493068968 1263696484 /nfs/dbraw/zinc/69/64/84/1263696484.db2.gz BLFPLRYTAHJTDR-ZIAGYGMSSA-N 1 1 350.419 0.245 10 5 FCBEMO C[NH+](C)CCCC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001499772827 1264045485 /nfs/dbraw/zinc/04/54/85/1264045485.db2.gz RAFDPVSJTBPGOH-HUUCEWRRSA-N 1 1 354.451 0.738 10 5 FCBEMO O=C(NCC1([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001501950115 1264157027 /nfs/dbraw/zinc/15/70/27/1264157027.db2.gz DQAGNCSBQWTYPD-CHWSQXEVSA-N 1 1 361.402 0.853 10 5 FCBEMO O=C(NC1(CO)CC[NH+](CCc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001505377236 1264269522 /nfs/dbraw/zinc/26/95/22/1264269522.db2.gz RRYMBHNODXCBMV-CHWSQXEVSA-N 1 1 354.432 0.294 10 5 FCBEMO CCN(CC)C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001506862503 1264343992 /nfs/dbraw/zinc/34/39/92/1264343992.db2.gz UDRQTWPMSMTJLM-ZIAGYGMSSA-N 1 1 352.435 0.444 10 5 FCBEMO O=C(NCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1)C1CC1 ZINC001333182376 1266549060 /nfs/dbraw/zinc/54/90/60/1266549060.db2.gz ZQSTYMDTDHNJKQ-HUUCEWRRSA-N 1 1 364.446 0.539 10 5 FCBEMO CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCOC2)CC[N@H+]1C ZINC001526252202 1266794476 /nfs/dbraw/zinc/79/44/76/1266794476.db2.gz GZLOWYICTDPDRS-ZIAGYGMSSA-N 1 1 352.439 0.868 10 5 FCBEMO CCC1([NH2+]CC(=O)NCC2CCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001570255171 1269856052 /nfs/dbraw/zinc/85/60/52/1269856052.db2.gz SXLAZSPFDCFKDZ-HUUCEWRRSA-N 1 1 366.462 0.929 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001572038993 1269989543 /nfs/dbraw/zinc/98/95/43/1269989543.db2.gz LBXCREYRGZYVIR-ZIAGYGMSSA-N 1 1 366.462 0.833 10 5 FCBEMO CC[N@H+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001572038993 1269989546 /nfs/dbraw/zinc/98/95/46/1269989546.db2.gz LBXCREYRGZYVIR-ZIAGYGMSSA-N 1 1 366.462 0.833 10 5 FCBEMO CC[N@@H+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001572038993 1269989548 /nfs/dbraw/zinc/98/95/48/1269989548.db2.gz LBXCREYRGZYVIR-ZIAGYGMSSA-N 1 1 366.462 0.833 10 5 FCBEMO C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCC1 ZINC001573141400 1270615484 /nfs/dbraw/zinc/61/54/84/1270615484.db2.gz XIQGOMYYCZOUHG-LXTVHRRPSA-N 1 1 366.462 0.927 10 5 FCBEMO CC(C)CN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001713985457 1287308745 /nfs/dbraw/zinc/30/87/45/1287308745.db2.gz PIVPTGXPDPPJRH-AYRXBEOTSA-N 1 1 352.435 0.535 10 5 FCBEMO CN(CCN1CC[NH+](CC2CCOCC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714888019 1287337855 /nfs/dbraw/zinc/33/78/55/1287337855.db2.gz YJXSHARUKJXSIW-HZPDHXFCSA-N 1 1 354.451 0.154 10 5 FCBEMO Cc1noc(CCC[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001715300878 1287349092 /nfs/dbraw/zinc/34/90/92/1287349092.db2.gz UMIBUAFBJZBFFG-CHWSQXEVSA-N 1 1 351.407 0.994 10 5 FCBEMO CC(C)NC(=O)NCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001717128380 1287407504 /nfs/dbraw/zinc/40/75/04/1287407504.db2.gz YGCFXZAWQMKOEY-ZIAGYGMSSA-N 1 1 367.450 0.284 10 5 FCBEMO CC1([NH2+]CC(=O)Nc2nccs2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717297460 1287417263 /nfs/dbraw/zinc/41/72/63/1287417263.db2.gz VMHXRUQNMXAQFR-GHMZBOCLSA-N 1 1 367.431 0.718 10 5 FCBEMO CCc1nc(C)c(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001717319114 1287418544 /nfs/dbraw/zinc/41/85/44/1287418544.db2.gz VUTVELNPWYUARF-CHWSQXEVSA-N 1 1 366.418 0.654 10 5 FCBEMO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001587297511 1282345781 /nfs/dbraw/zinc/34/57/81/1282345781.db2.gz XFGYCXLEKJKWEP-DYVFJYSZSA-N 1 1 351.403 0.887 10 5 FCBEMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccc1C[NH+](C)C ZINC001704276486 1286209860 /nfs/dbraw/zinc/20/98/60/1286209860.db2.gz VARICSZVRYBBBJ-HZPDHXFCSA-N 1 1 362.430 0.992 10 5 FCBEMO O=C(NC/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001705036235 1286338359 /nfs/dbraw/zinc/33/83/59/1286338359.db2.gz UWYFIFWWTJBDQL-AYYPDYFKSA-N 1 1 364.446 0.562 10 5 FCBEMO COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001597911402 1286369102 /nfs/dbraw/zinc/36/91/02/1286369102.db2.gz OLLBGYQMCKSJRB-LBPRGKRZSA-N 1 1 367.406 0.622 10 5 FCBEMO COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001597911402 1286369109 /nfs/dbraw/zinc/36/91/09/1286369109.db2.gz OLLBGYQMCKSJRB-LBPRGKRZSA-N 1 1 367.406 0.622 10 5 FCBEMO O=C(NCC1([NH2+]CCn2cnc3ccccc3c2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001723514398 1288425011 /nfs/dbraw/zinc/42/50/11/1288425011.db2.gz GGMVBOBLKNFEIU-UKRRQHHQSA-N 1 1 371.397 0.300 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1cc(F)ccc1F ZINC001731444084 1288557271 /nfs/dbraw/zinc/55/72/71/1288557271.db2.gz HKVGRUQXYTWHRV-ZHSDAYTOSA-N 1 1 368.340 0.805 10 5 FCBEMO CN(CC[NH2+]CCn1cnc2ccccc2c1=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731908041 1288570530 /nfs/dbraw/zinc/57/05/30/1288570530.db2.gz BNPSAMXFUGTGCO-UKRRQHHQSA-N 1 1 359.386 0.110 10 5 FCBEMO CCc1noc(C)c1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001733829568 1288632565 /nfs/dbraw/zinc/63/25/65/1288632565.db2.gz YVFMHQSTGFLZGT-IUODEOHRSA-N 1 1 366.418 0.966 10 5 FCBEMO Cc1nc(C)c(C[NH+]2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001733913399 1288635517 /nfs/dbraw/zinc/63/55/17/1288635517.db2.gz QBGNNRMECCBGCJ-CHWSQXEVSA-N 1 1 368.459 0.868 10 5 FCBEMO CC[N@@H+](CCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733918235 1288636409 /nfs/dbraw/zinc/63/64/09/1288636409.db2.gz LYUBHGHTDGRXJV-HZPDHXFCSA-N 1 1 366.462 0.835 10 5 FCBEMO CC[N@H+](CCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733918235 1288636412 /nfs/dbraw/zinc/63/64/12/1288636412.db2.gz LYUBHGHTDGRXJV-HZPDHXFCSA-N 1 1 366.462 0.835 10 5 FCBEMO CC[N@@H+](CCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733918235 1288636417 /nfs/dbraw/zinc/63/64/17/1288636417.db2.gz LYUBHGHTDGRXJV-HZPDHXFCSA-N 1 1 366.462 0.835 10 5 FCBEMO CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001737258489 1289520897 /nfs/dbraw/zinc/52/08/97/1289520897.db2.gz CEZFCRVOGYWHPB-ZIAGYGMSSA-N 1 1 354.451 0.881 10 5 FCBEMO CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001737726611 1289575670 /nfs/dbraw/zinc/57/56/70/1289575670.db2.gz WYFQDGSADAFPOH-HUUCEWRRSA-N 1 1 352.435 0.348 10 5 FCBEMO CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001737725744 1289576455 /nfs/dbraw/zinc/57/64/55/1289576455.db2.gz BBJKPGBJGWKIAF-HZPDHXFCSA-N 1 1 362.430 0.644 10 5 FCBEMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC001617651040 1289853734 /nfs/dbraw/zinc/85/37/34/1289853734.db2.gz UQFKLGJYYDUBFF-DRZSPHRISA-N 1 1 360.370 0.959 10 5 FCBEMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001618485011 1289912239 /nfs/dbraw/zinc/91/22/39/1289912239.db2.gz NIJATHPDYPQFTH-CXAGYDPISA-N 1 1 363.418 0.849 10 5 FCBEMO C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620412785 1289988325 /nfs/dbraw/zinc/98/83/25/1289988325.db2.gz BEJIEBBRSYXFPY-ZDUSSCGKSA-N 1 1 357.411 0.999 10 5 FCBEMO COc1ccc(OCC[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001620633880 1290011624 /nfs/dbraw/zinc/01/16/24/1290011624.db2.gz BYOHYABRZPKPSA-LLVKDONJSA-N 1 1 359.404 0.593 10 5 FCBEMO CC[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001623118041 1290198664 /nfs/dbraw/zinc/19/86/64/1290198664.db2.gz KJXLSQYLQUFGDR-JTQLQIEISA-N 1 1 356.404 0.408 10 5 FCBEMO CC[N@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001623118041 1290198668 /nfs/dbraw/zinc/19/86/68/1290198668.db2.gz KJXLSQYLQUFGDR-JTQLQIEISA-N 1 1 356.404 0.408 10 5 FCBEMO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1C[N@@H+](C)CCN1C ZINC001628390696 1290531062 /nfs/dbraw/zinc/53/10/62/1290531062.db2.gz XUIBHJQKPGUZQO-MLGOLLRUSA-N 1 1 373.417 0.540 10 5 FCBEMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001644251596 1290949698 /nfs/dbraw/zinc/94/96/98/1290949698.db2.gz ITYNJIJWWUAOIN-UONOGXRCSA-N 1 1 351.407 0.797 10 5 FCBEMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001645220035 1291009177 /nfs/dbraw/zinc/00/91/77/1291009177.db2.gz CTTJYMMPNVQDEP-SJKOYZFVSA-N 1 1 361.402 0.975 10 5 FCBEMO CS(=O)(=O)NC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001648250663 1291115241 /nfs/dbraw/zinc/11/52/41/1291115241.db2.gz WCCCIDZGPMPLKQ-GFCCVEGCSA-N 1 1 370.431 0.795 10 5 FCBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001648440008 1291120905 /nfs/dbraw/zinc/12/09/05/1291120905.db2.gz IKHYLFBBNLNLIM-HNNXBMFYSA-N 1 1 362.386 0.727 10 5 FCBEMO COCC[N@@H+](C)CCN1C[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)CC1=O ZINC001651161018 1291199393 /nfs/dbraw/zinc/19/93/93/1291199393.db2.gz NILMPCNKXAQKRQ-GFCCVEGCSA-N 1 1 354.411 0.228 10 5 FCBEMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001653333260 1291336926 /nfs/dbraw/zinc/33/69/26/1291336926.db2.gz MPKBPQOTFFKCKI-QWHCGFSZSA-N 1 1 351.407 0.942 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001653333260 1291336935 /nfs/dbraw/zinc/33/69/35/1291336935.db2.gz MPKBPQOTFFKCKI-QWHCGFSZSA-N 1 1 351.407 0.942 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001653333260 1291336943 /nfs/dbraw/zinc/33/69/43/1291336943.db2.gz MPKBPQOTFFKCKI-QWHCGFSZSA-N 1 1 351.407 0.942 10 5 FCBEMO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1=O ZINC001654538183 1291417538 /nfs/dbraw/zinc/41/75/38/1291417538.db2.gz OXHZQBSVXUGTFU-AOOOYVTPSA-N 1 1 366.761 0.733 10 5 FCBEMO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1=O ZINC001654538183 1291417546 /nfs/dbraw/zinc/41/75/46/1291417546.db2.gz OXHZQBSVXUGTFU-AOOOYVTPSA-N 1 1 366.761 0.733 10 5 FCBEMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001655708667 1291481999 /nfs/dbraw/zinc/48/19/99/1291481999.db2.gz MIAISXHFSMVZSV-CYBMUJFWSA-N 1 1 350.331 0.888 10 5 FCBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001660481576 1291660491 /nfs/dbraw/zinc/66/04/91/1291660491.db2.gz VTYXCRHZMDEUEN-CALCHBBNSA-N 1 1 351.403 0.604 10 5 FCBEMO CS(=O)(=O)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001666333647 1291910249 /nfs/dbraw/zinc/91/02/49/1291910249.db2.gz ZUSQSYCGDTUMFP-ZIAGYGMSSA-N 1 1 355.416 0.102 10 5 FCBEMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136649922 849231796 /nfs/dbraw/zinc/23/17/96/849231796.db2.gz JMSQWBVIMHBSNS-UHFFFAOYSA-N 1 1 350.423 0.670 10 5 FCBEMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136649922 849231802 /nfs/dbraw/zinc/23/18/02/849231802.db2.gz JMSQWBVIMHBSNS-UHFFFAOYSA-N 1 1 350.423 0.670 10 5 FCBEMO CC[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001136666755 849234262 /nfs/dbraw/zinc/23/42/62/849234262.db2.gz CCFQPDJTYXOEJQ-UHFFFAOYSA-N 1 1 370.431 0.427 10 5 FCBEMO C[N@H+](CCNC(=O)C1CC1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001171259689 850681544 /nfs/dbraw/zinc/68/15/44/850681544.db2.gz ZNHWVNMTCSMOBE-UHFFFAOYSA-N 1 1 370.431 0.331 10 5 FCBEMO C[N@@H+](CCNC(=O)C1CC1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001171259689 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/nfs/dbraw/zinc/77/95/47/491779547.db2.gz RTZHGCAYZZUUGJ-UHFFFAOYSA-N 1 1 363.370 0.786 10 5 FCBEMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000591263326 491800565 /nfs/dbraw/zinc/80/05/65/491800565.db2.gz SVPHNJRUVLOOCC-AWEZNQCLSA-N 1 1 365.386 0.918 10 5 FCBEMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000592388805 491836391 /nfs/dbraw/zinc/83/63/91/491836391.db2.gz OORPVTTWJBNWNA-NSHDSACASA-N 1 1 373.387 0.129 10 5 FCBEMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595663540 491947428 /nfs/dbraw/zinc/94/74/28/491947428.db2.gz PVCTUZNKDZFDIJ-DUFXMDAXSA-N 1 1 367.358 0.851 10 5 FCBEMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000597626407 492052568 /nfs/dbraw/zinc/05/25/68/492052568.db2.gz UBJSEPOCCYURJX-LBPRGKRZSA-N 1 1 354.357 0.922 10 5 FCBEMO NC(=O)c1cc(F)ccc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000598647778 492111640 /nfs/dbraw/zinc/11/16/40/492111640.db2.gz IPRRBYMYDAQSJD-UHFFFAOYSA-N 1 1 362.365 0.852 10 5 FCBEMO C[C@@]1(F)C[NH2+]CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664336 492112579 /nfs/dbraw/zinc/11/25/79/492112579.db2.gz FEXMNEDDHCAFIB-OAHLLOKOSA-N 1 1 353.354 0.876 10 5 FCBEMO O=C(CC[NH+]1CCN(c2nccnn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599509311 492182140 /nfs/dbraw/zinc/18/21/40/492182140.db2.gz CPZKXRMISHNVLX-UHFFFAOYSA-N 1 1 357.374 0.931 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666024 492197930 /nfs/dbraw/zinc/19/79/30/492197930.db2.gz VRJOEXSLSIAHFZ-LBPRGKRZSA-N 1 1 366.374 0.508 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599666024 492197932 /nfs/dbraw/zinc/19/79/32/492197932.db2.gz VRJOEXSLSIAHFZ-LBPRGKRZSA-N 1 1 366.374 0.508 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000610049517 492232221 /nfs/dbraw/zinc/23/22/21/492232221.db2.gz XRDAVFVNLRUBCV-UHFFFAOYSA-N 1 1 374.405 0.305 10 5 FCBEMO Cc1c(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426163 492245061 /nfs/dbraw/zinc/24/50/61/492245061.db2.gz BNABBPKOQKRCSW-SNVBAGLBSA-N 1 1 356.404 0.375 10 5 FCBEMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000411567259 533933080 /nfs/dbraw/zinc/93/30/80/533933080.db2.gz ILITUEWIZZUYKU-AWEZNQCLSA-N 1 1 364.402 0.805 10 5 FCBEMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000593586305 546979906 /nfs/dbraw/zinc/97/99/06/546979906.db2.gz RQHLDONSIIOKDE-LBPRGKRZSA-N 1 1 358.420 0.769 10 5 FCBEMO COC(=O)c1cc(C)nc(N2CC[NH+](CCCCO)CC2)c1[N+](=O)[O-] ZINC000804502400 669383847 /nfs/dbraw/zinc/38/38/47/669383847.db2.gz RHQZTGWWQMHEDS-UHFFFAOYSA-N 1 1 352.391 0.979 10 5 FCBEMO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000826686256 669509256 /nfs/dbraw/zinc/50/92/56/669509256.db2.gz SLXDFFWHABQBTK-NSHDSACASA-N 1 1 370.431 0.555 10 5 FCBEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000830192658 669767655 /nfs/dbraw/zinc/76/76/55/669767655.db2.gz SJZZUHYEUNHTJN-UHFFFAOYSA-N 1 1 352.366 0.970 10 5 FCBEMO O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000847040850 671168105 /nfs/dbraw/zinc/16/81/05/671168105.db2.gz SFIXDHBIIOSUOI-NWDGAFQWSA-N 1 1 354.794 0.938 10 5 FCBEMO O=C(NCC(=O)N1CC[NH2+]C[C@@H]1C(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000857004550 671712608 /nfs/dbraw/zinc/71/26/08/671712608.db2.gz RMUQIVZFWPZQBQ-LLVKDONJSA-N 1 1 357.317 0.782 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000858985667 671787317 /nfs/dbraw/zinc/78/73/17/671787317.db2.gz LCZQRCGQAYJOEP-LBPRGKRZSA-N 1 1 373.435 0.250 10 5 FCBEMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860194579 671874871 /nfs/dbraw/zinc/87/48/71/671874871.db2.gz UIQKGPXSIOWXHM-IUODEOHRSA-N 1 1 357.432 0.889 10 5 FCBEMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2oc(=O)n(C)c2c1 ZINC001480973978 1181858878 /nfs/dbraw/zinc/85/88/78/1181858878.db2.gz CLSWZULMCIMGSH-CHWSQXEVSA-N 1 1 362.386 0.735 10 5 FCBEMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2oc(=O)n(C)c2c1 ZINC001480973978 1181858880 /nfs/dbraw/zinc/85/88/80/1181858880.db2.gz CLSWZULMCIMGSH-CHWSQXEVSA-N 1 1 362.386 0.735 10 5 FCBEMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2oc(=O)n(C)c2c1 ZINC001480973978 1181858883 /nfs/dbraw/zinc/85/88/83/1181858883.db2.gz CLSWZULMCIMGSH-CHWSQXEVSA-N 1 1 362.386 0.735 10 5 FCBEMO CCN(C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001481513983 1186213190 /nfs/dbraw/zinc/21/31/90/1186213190.db2.gz NTKHBVHQVIECMV-HZPDHXFCSA-N 1 1 366.462 0.833 10 5 FCBEMO CCN(C(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001481513983 1186213197 /nfs/dbraw/zinc/21/31/97/1186213197.db2.gz NTKHBVHQVIECMV-HZPDHXFCSA-N 1 1 366.462 0.833 10 5 FCBEMO CCN(C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001481513983 1186213206 /nfs/dbraw/zinc/21/32/06/1186213206.db2.gz NTKHBVHQVIECMV-HZPDHXFCSA-N 1 1 366.462 0.833 10 5 FCBEMO Cn1ccc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001481998192 1187568631 /nfs/dbraw/zinc/56/86/31/1187568631.db2.gz NRBJEUZOTOXVPO-HZPDHXFCSA-N 1 1 362.430 0.769 10 5 FCBEMO COC(=O)COc1ccc(CN2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475120307 1190668510 /nfs/dbraw/zinc/66/85/10/1190668510.db2.gz RBEUCJIKXNTWLU-CYBMUJFWSA-N 1 1 367.402 0.645 10 5 FCBEMO Cn1cnnc1N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000594026760 1196847387 /nfs/dbraw/zinc/84/73/87/1196847387.db2.gz OJBUAHJXJQDSGT-AWEZNQCLSA-N 1 1 362.390 0.285 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001488826081 1208551767 /nfs/dbraw/zinc/55/17/67/1208551767.db2.gz FNQOGMQUIYXZAQ-JUDXGUMMSA-N 1 1 364.377 0.914 10 5 FCBEMO Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001489817043 1209097201 /nfs/dbraw/zinc/09/72/01/1209097201.db2.gz HFXFBPXUBRUTPR-LXTVHRRPSA-N 1 1 363.418 0.648 10 5 FCBEMO CCOC(=O)[C@]1(F)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000852316254 1209541847 /nfs/dbraw/zinc/54/18/47/1209541847.db2.gz RCBKRTZERYTGAG-XJKSGUPXSA-N 1 1 370.381 0.910 10 5 FCBEMO CCOC(=O)[C@]1(F)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000852316254 1209541850 /nfs/dbraw/zinc/54/18/50/1209541850.db2.gz RCBKRTZERYTGAG-XJKSGUPXSA-N 1 1 370.381 0.910 10 5 FCBEMO CCOC(=O)[C@@]1(F)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000852316251 1209542305 /nfs/dbraw/zinc/54/23/05/1209542305.db2.gz RCBKRTZERYTGAG-BBRMVZONSA-N 1 1 370.381 0.910 10 5 FCBEMO CCOC(=O)[C@@]1(F)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000852316251 1209542308 /nfs/dbraw/zinc/54/23/08/1209542308.db2.gz RCBKRTZERYTGAG-BBRMVZONSA-N 1 1 370.381 0.910 10 5 FCBEMO CN(C)C(=O)c1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001277055391 1225815553 /nfs/dbraw/zinc/81/55/53/1225815553.db2.gz PBBYVQHTFIPDAA-HUUCEWRRSA-N 1 1 360.414 0.792 10 5 FCBEMO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001490890278 1219369293 /nfs/dbraw/zinc/36/92/93/1219369293.db2.gz OGQABUCEAMZSEA-KLHDSHLOSA-N 1 1 360.414 0.547 10 5 FCBEMO CC[N@H+]1CC[C@H]2OCCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2C1 ZINC000840084669 1222770048 /nfs/dbraw/zinc/77/00/48/1222770048.db2.gz WOFIBKCJGFAZHX-LSDHHAIUSA-N 1 1 374.397 0.943 10 5 FCBEMO CN(Cc1ccco1)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001330594649 1266065872 /nfs/dbraw/zinc/06/58/72/1266065872.db2.gz MIAQPQKBUJJYKK-QHSBEEBCSA-N 1 1 364.402 0.388 10 5 FCBEMO COc1cccc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001265538737 1260414545 /nfs/dbraw/zinc/41/45/45/1260414545.db2.gz KQLPVNNOCMMTNP-AYRXBEOTSA-N 1 1 362.386 0.536 10 5 FCBEMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001472258438 1261454943 /nfs/dbraw/zinc/45/49/43/1261454943.db2.gz GJOXIHNWCCZUDT-KGLIPLIRSA-N 1 1 351.407 0.547 10 5 FCBEMO Cc1c(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001294068635 1262725614 /nfs/dbraw/zinc/72/56/14/1262725614.db2.gz NCWODUQDCGRCAR-HUUCEWRRSA-N 1 1 359.386 0.886 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC001479292764 1263182866 /nfs/dbraw/zinc/18/28/66/1263182866.db2.gz JVHLONCYJXXLFY-AQNFWKISSA-N 1 1 364.377 0.914 10 5 FCBEMO CN(CCC[NH2+]Cc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001483464824 1263444105 /nfs/dbraw/zinc/44/41/05/1263444105.db2.gz UJSVQBFKBIOCKL-HUUCEWRRSA-N 1 1 369.443 0.693 10 5 FCBEMO CC(C)NC(=O)NCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484135888 1263455341 /nfs/dbraw/zinc/45/53/41/1263455341.db2.gz MVCPGNNXHDEVPB-ZIAGYGMSSA-N 1 1 369.466 0.578 10 5 FCBEMO O=C(C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001495412452 1263819458 /nfs/dbraw/zinc/81/94/58/1263819458.db2.gz HNVNXIYSEBUUTJ-CHWSQXEVSA-N 1 1 365.390 0.497 10 5 FCBEMO O=C(NC[C@H]1CC[C@H](C[NH2+]CCn2cncn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001501179634 1264108003 /nfs/dbraw/zinc/10/80/03/1264108003.db2.gz SBADXNXLSNWILE-KBUPBQIOSA-N 1 1 350.423 0.456 10 5 FCBEMO CCc1nocc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001501257788 1264113979 /nfs/dbraw/zinc/11/39/79/1264113979.db2.gz DJJMFNVJDCAQEZ-GDBMZVCRSA-N 1 1 365.434 0.572 10 5 FCBEMO O=C(N[C@H]1CC[C@H](C[NH2+]CCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001501693946 1264143416 /nfs/dbraw/zinc/14/34/16/1264143416.db2.gz BRLIRJUBIAXAQI-KBUPBQIOSA-N 1 1 352.435 0.539 10 5 FCBEMO CCN(C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1)C1CC1 ZINC001501735489 1264143542 /nfs/dbraw/zinc/14/35/42/1264143542.db2.gz NQBQFKBFYMDEPO-HUUCEWRRSA-N 1 1 364.446 0.587 10 5 FCBEMO C[NH+](C)CCC(=O)N1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001511998958 1264609696 /nfs/dbraw/zinc/60/96/96/1264609696.db2.gz HCQSKPXOIFPSPC-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO C[N@@H+](CC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001512060307 1264612715 /nfs/dbraw/zinc/61/27/15/1264612715.db2.gz GQARVYFHXLRDGZ-HUUCEWRRSA-N 1 1 350.419 0.411 10 5 FCBEMO C[N@H+](CC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001512060307 1264612722 /nfs/dbraw/zinc/61/27/22/1264612722.db2.gz GQARVYFHXLRDGZ-HUUCEWRRSA-N 1 1 350.419 0.411 10 5 FCBEMO C[N@@H+](CC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001512060307 1264612724 /nfs/dbraw/zinc/61/27/24/1264612724.db2.gz GQARVYFHXLRDGZ-HUUCEWRRSA-N 1 1 350.419 0.411 10 5 FCBEMO C[NH+](C)CCC(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001536174233 1267319201 /nfs/dbraw/zinc/31/92/01/1267319201.db2.gz BBHWTVUNADTLER-HZPDHXFCSA-N 1 1 366.462 0.833 10 5 FCBEMO CC[NH+](CC)CC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340369590 1268524164 /nfs/dbraw/zinc/52/41/64/1268524164.db2.gz BIDQVFPZZBUELE-HUUCEWRRSA-N 1 1 352.435 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PMHSJHKHXYUELB-ZIAGYGMSSA-N 1 1 352.435 0.539 10 5 FCBEMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001302569633 866339720 /nfs/dbraw/zinc/33/97/20/866339720.db2.gz JXBMRAKRUPHMLU-NEPJUHHUSA-N 1 1 368.415 0.408 10 5 FCBEMO C[N@@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)CCOCCO ZINC001303014351 866372494 /nfs/dbraw/zinc/37/24/94/866372494.db2.gz AYSCMEODTZVOJR-UHFFFAOYSA-N 1 1 350.375 0.747 10 5 FCBEMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)NC1CCCC1 ZINC001318631805 867712237 /nfs/dbraw/zinc/71/22/37/867712237.db2.gz GBHALIQEPPXZRX-ZIAGYGMSSA-N 1 1 352.435 0.729 10 5 FCBEMO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC(F)(F)F ZINC001318953408 867787974 /nfs/dbraw/zinc/78/79/74/867787974.db2.gz QXQSMVVBAKDRDH-GWOFURMSSA-N 1 1 366.340 0.347 10 5 FCBEMO Cc1nnsc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001327634987 870985333 /nfs/dbraw/zinc/98/53/33/870985333.db2.gz PAWQLZCXSXRDEP-GHMZBOCLSA-N 1 1 355.420 0.267 10 5 FCBEMO O=C(N[C@H]1C[C@H](C[NH2+]CCCNC(=O)C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001330594284 872724230 /nfs/dbraw/zinc/72/42/30/872724230.db2.gz FNEGNVVZIGJLPS-GWOFURMSSA-N 1 1 366.340 0.205 10 5 FCBEMO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000265445721 210137931 /nfs/dbraw/zinc/13/79/31/210137931.db2.gz JLRROIWITKFMHJ-VBNZEHGJSA-N 1 1 369.443 0.743 10 5 FCBEMO C[N@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265375657 210112185 /nfs/dbraw/zinc/11/21/85/210112185.db2.gz PHUGFXSQXJHDRE-GFCCVEGCSA-N 1 1 356.404 0.084 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000361450879 215394013 /nfs/dbraw/zinc/39/40/13/215394013.db2.gz QQIDPZHPRFWYSB-GOEBONIOSA-N 1 1 353.423 0.339 10 5 FCBEMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285072243 213277499 /nfs/dbraw/zinc/27/74/99/213277499.db2.gz OSNDKRHTRDOVBV-KGLIPLIRSA-N 1 1 355.416 0.997 10 5 FCBEMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285072243 213277503 /nfs/dbraw/zinc/27/75/03/213277503.db2.gz OSNDKRHTRDOVBV-KGLIPLIRSA-N 1 1 355.416 0.997 10 5 FCBEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245434630 209367918 /nfs/dbraw/zinc/36/79/18/209367918.db2.gz CLMVVPQVROVQOE-MHEUCROKSA-N 1 1 352.391 0.958 10 5 FCBEMO COc1ccc(NC(=O)CC[N@H+]2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368329240 216234498 /nfs/dbraw/zinc/23/44/98/216234498.db2.gz RUPPMFXGIRJHBC-CYBMUJFWSA-N 1 1 364.402 0.948 10 5 FCBEMO CCn1nc2c(cc1=O)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000373269739 217002422 /nfs/dbraw/zinc/00/24/22/217002422.db2.gz WBUGAUJUPFUHGT-AWEZNQCLSA-N 1 1 374.397 0.969 10 5 FCBEMO CN1CCN([C@@H]2CCCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000182907901 209139578 /nfs/dbraw/zinc/13/95/78/209139578.db2.gz GDVSPBWTZPAFJR-MRXNPFEDSA-N 1 1 363.462 0.858 10 5 FCBEMO COc1cccc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000444298333 248354469 /nfs/dbraw/zinc/35/44/69/248354469.db2.gz WXACZYCQAKUYAJ-UHFFFAOYSA-N 1 1 364.402 0.840 10 5 FCBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000453817352 249373235 /nfs/dbraw/zinc/37/32/35/249373235.db2.gz KCPQPYLQIISDHR-AWEZNQCLSA-N 1 1 364.402 0.805 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270574851 211227650 /nfs/dbraw/zinc/22/76/50/211227650.db2.gz BQCFQWZYEYVMNC-SNVBAGLBSA-N 1 1 351.363 0.675 10 5 FCBEMO CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000106103210 208211932 /nfs/dbraw/zinc/21/19/32/208211932.db2.gz IIQNQKOEILZZGZ-DOMZBBRYSA-N 1 1 350.419 0.971 10 5 FCBEMO Cc1nn(C)c(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000107282165 208239782 /nfs/dbraw/zinc/23/97/82/208239782.db2.gz LPRHOHRDUKOENQ-AWEZNQCLSA-N 1 1 364.450 0.879 10 5 FCBEMO COc1ccc(OCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000266553935 210355147 /nfs/dbraw/zinc/35/51/47/210355147.db2.gz VCLVIRXXJLOPSB-NSHDSACASA-N 1 1 359.404 0.606 10 5 FCBEMO COc1ccc(OCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000266553935 210355152 /nfs/dbraw/zinc/35/51/52/210355152.db2.gz VCLVIRXXJLOPSB-NSHDSACASA-N 1 1 359.404 0.606 10 5 FCBEMO COc1ccc(OCC[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000279053225 488913441 /nfs/dbraw/zinc/91/34/41/488913441.db2.gz KTEZSEPAANFTAT-INIZCTEOSA-N 1 1 364.358 0.656 10 5 FCBEMO COc1ccc(OCC[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000279053225 488913442 /nfs/dbraw/zinc/91/34/42/488913442.db2.gz KTEZSEPAANFTAT-INIZCTEOSA-N 1 1 364.358 0.656 10 5 FCBEMO COCC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069527818 488373203 /nfs/dbraw/zinc/37/32/03/488373203.db2.gz TVBCXXNOQZJYIF-HNNXBMFYSA-N 1 1 364.402 0.552 10 5 FCBEMO COc1ccc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000268700891 488443691 /nfs/dbraw/zinc/44/36/91/488443691.db2.gz VBEZDHXDKCGHNU-UHFFFAOYSA-N 1 1 364.402 0.840 10 5 FCBEMO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000246730429 488475276 /nfs/dbraw/zinc/47/52/76/488475276.db2.gz MYTUFNRJLCMTER-CVEARBPZSA-N 1 1 364.406 0.367 10 5 FCBEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000246730429 488475278 /nfs/dbraw/zinc/47/52/78/488475278.db2.gz MYTUFNRJLCMTER-CVEARBPZSA-N 1 1 364.406 0.367 10 5 FCBEMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000248447316 488496601 /nfs/dbraw/zinc/49/66/01/488496601.db2.gz HETKUMLNXTWKSH-INMHGKMJSA-N 1 1 365.430 0.987 10 5 FCBEMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000126985611 488613291 /nfs/dbraw/zinc/61/32/91/488613291.db2.gz JUFMXYOHTNNSEY-UHFFFAOYSA-N 1 1 372.385 0.887 10 5 FCBEMO Cc1n[nH]c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000264381624 488669106 /nfs/dbraw/zinc/66/91/06/488669106.db2.gz FMFINZNBQGGGJL-ZDUSSCGKSA-N 1 1 350.423 0.868 10 5 FCBEMO Cc1[nH]nc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000264381624 488669109 /nfs/dbraw/zinc/66/91/09/488669109.db2.gz FMFINZNBQGGGJL-ZDUSSCGKSA-N 1 1 350.423 0.868 10 5 FCBEMO Cc1[nH]nc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000264381624 488669111 /nfs/dbraw/zinc/66/91/11/488669111.db2.gz FMFINZNBQGGGJL-ZDUSSCGKSA-N 1 1 350.423 0.868 10 5 FCBEMO Cc1cc([N+](=O)[O-])cn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1=O ZINC000155802128 488759698 /nfs/dbraw/zinc/75/96/98/488759698.db2.gz LNESOJSUSJHXCU-HNNXBMFYSA-N 1 1 366.418 0.538 10 5 FCBEMO C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000161554811 488797169 /nfs/dbraw/zinc/79/71/69/488797169.db2.gz FGPBSEMARZQUEY-JSGCOSHPSA-N 1 1 352.395 0.153 10 5 FCBEMO Cn1cc(CN2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174784265 488851171 /nfs/dbraw/zinc/85/11/71/488851171.db2.gz ZTMNFTCHZLDKDK-INIZCTEOSA-N 1 1 363.422 0.094 10 5 FCBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000182229905 488864426 /nfs/dbraw/zinc/86/44/26/488864426.db2.gz FEWBQLKKJZGOSB-CQSZACIVSA-N 1 1 359.386 0.947 10 5 FCBEMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(c2cnccn2)CC1 ZINC000364810356 489004758 /nfs/dbraw/zinc/00/47/58/489004758.db2.gz DRSKADNVJMJRDB-HNNXBMFYSA-N 1 1 361.406 0.543 10 5 FCBEMO COC(=O)CNC(=O)c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299311814 489430845 /nfs/dbraw/zinc/43/08/45/489430845.db2.gz FLTIDQIGCHCCEC-UHFFFAOYSA-N 1 1 362.386 0.782 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(F)c1 ZINC000451671686 489516930 /nfs/dbraw/zinc/51/69/30/489516930.db2.gz QTAYTFGXBHSDJZ-LBPRGKRZSA-N 1 1 361.395 0.859 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000451671686 489516933 /nfs/dbraw/zinc/51/69/33/489516933.db2.gz QTAYTFGXBHSDJZ-LBPRGKRZSA-N 1 1 361.395 0.859 10 5 FCBEMO COc1ccc(NC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000426473848 489569282 /nfs/dbraw/zinc/56/92/82/489569282.db2.gz YLYBQEHIJYCXMF-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO COc1ccc(NC(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000426473848 489569284 /nfs/dbraw/zinc/56/92/84/489569284.db2.gz YLYBQEHIJYCXMF-GFCCVEGCSA-N 1 1 352.391 0.540 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000427642773 489616461 /nfs/dbraw/zinc/61/64/61/489616461.db2.gz SWYYSPQOZKVISO-OAHLLOKOSA-N 1 1 373.413 0.960 10 5 FCBEMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000378243447 490032734 /nfs/dbraw/zinc/03/27/34/490032734.db2.gz MZGHKWBRYKWBAW-HUUCEWRRSA-N 1 1 355.416 0.877 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405642609 490184797 /nfs/dbraw/zinc/18/47/97/490184797.db2.gz CYCYSLQIMDOCHC-NWDGAFQWSA-N 1 1 357.388 0.043 10 5 FCBEMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405642609 490184804 /nfs/dbraw/zinc/18/48/04/490184804.db2.gz CYCYSLQIMDOCHC-NWDGAFQWSA-N 1 1 357.388 0.043 10 5 FCBEMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1C ZINC000405649003 490185853 /nfs/dbraw/zinc/18/58/53/490185853.db2.gz FSRKKTNKZPVKPA-QWHCGFSZSA-N 1 1 355.416 0.651 10 5 FCBEMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1C ZINC000405649003 490185860 /nfs/dbraw/zinc/18/58/60/490185860.db2.gz FSRKKTNKZPVKPA-QWHCGFSZSA-N 1 1 355.416 0.651 10 5 FCBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533409232 490230112 /nfs/dbraw/zinc/23/01/12/490230112.db2.gz MULOBBVXXGAAJJ-VHSXEESVSA-N 1 1 364.358 0.848 10 5 FCBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533409232 490230114 /nfs/dbraw/zinc/23/01/14/490230114.db2.gz MULOBBVXXGAAJJ-VHSXEESVSA-N 1 1 364.358 0.848 10 5 FCBEMO COc1ccc(-n2cc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nn2)cc1 ZINC000571670882 491322176 /nfs/dbraw/zinc/32/21/76/491322176.db2.gz KQAIAZOARXKAEL-OAHLLOKOSA-N 1 1 373.373 0.531 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2CC[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000450953842 490504362 /nfs/dbraw/zinc/50/43/62/490504362.db2.gz LZTRQXUDWSWZJP-LLVKDONJSA-N 1 1 358.420 0.006 10 5 FCBEMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000450953842 490504368 /nfs/dbraw/zinc/50/43/68/490504368.db2.gz LZTRQXUDWSWZJP-LLVKDONJSA-N 1 1 358.420 0.006 10 5 FCBEMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000549474701 490583419 /nfs/dbraw/zinc/58/34/19/490583419.db2.gz CTAIRIMKSOECMK-NWDGAFQWSA-N 1 1 356.404 0.474 10 5 FCBEMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000549474701 490583423 /nfs/dbraw/zinc/58/34/23/490583423.db2.gz CTAIRIMKSOECMK-NWDGAFQWSA-N 1 1 356.404 0.474 10 5 FCBEMO CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000486382990 490616163 /nfs/dbraw/zinc/61/61/63/490616163.db2.gz UVPZXACESRMWLD-NSHDSACASA-N 1 1 360.370 0.791 10 5 FCBEMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000512267201 490669484 /nfs/dbraw/zinc/66/94/84/490669484.db2.gz WMGOZXODBZZXRM-STQMWFEESA-N 1 1 359.404 0.087 10 5 FCBEMO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000513960824 490756265 /nfs/dbraw/zinc/75/62/65/490756265.db2.gz PGJBOAORZZBVHN-CQSZACIVSA-N 1 1 368.459 0.998 10 5 FCBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000518789826 490951907 /nfs/dbraw/zinc/95/19/07/490951907.db2.gz FUASPSYVFYAILU-GFCCVEGCSA-N 1 1 370.431 0.426 10 5 FCBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000518789826 490951909 /nfs/dbraw/zinc/95/19/09/490951909.db2.gz FUASPSYVFYAILU-GFCCVEGCSA-N 1 1 370.431 0.426 10 5 FCBEMO C[NH+]1CCC(CNC(=O)c2c[nH]nc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000519529625 490974527 /nfs/dbraw/zinc/97/45/27/490974527.db2.gz YMNDRKAPWJBWSI-UHFFFAOYSA-N 1 1 350.423 0.998 10 5 FCBEMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000567672940 491521976 /nfs/dbraw/zinc/52/19/76/491521976.db2.gz VCLSGNWCJHYURY-LBPRGKRZSA-N 1 1 356.329 0.780 10 5 FCBEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000575134861 491541059 /nfs/dbraw/zinc/54/10/59/491541059.db2.gz KCSONDLXKIAHFV-CYBMUJFWSA-N 1 1 362.434 0.814 10 5 FCBEMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000575950286 491572270 /nfs/dbraw/zinc/57/22/70/491572270.db2.gz VTFFNIOOSCUIRC-UHFFFAOYSA-N 1 1 350.466 0.818 10 5 FCBEMO CN(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)CC[NH+](C)C ZINC000575950286 491572273 /nfs/dbraw/zinc/57/22/73/491572273.db2.gz VTFFNIOOSCUIRC-UHFFFAOYSA-N 1 1 350.466 0.818 10 5 FCBEMO COC(=O)c1cc(C)nc(N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000588026833 491737492 /nfs/dbraw/zinc/73/74/92/491737492.db2.gz ILWDHJRIFARBTJ-UHFFFAOYSA-N 1 1 352.391 0.978 10 5 FCBEMO COC(=O)c1cc(C)nc(N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000588026833 491737493 /nfs/dbraw/zinc/73/74/93/491737493.db2.gz ILWDHJRIFARBTJ-UHFFFAOYSA-N 1 1 352.391 0.978 10 5 FCBEMO C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590445013 491777081 /nfs/dbraw/zinc/77/70/81/491777081.db2.gz PJUVNJYQMAZZQY-SMDDNHRTSA-N 1 1 360.370 0.483 10 5 FCBEMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581648933 491781419 /nfs/dbraw/zinc/78/14/19/491781419.db2.gz OMIFNSHHAVPTOY-LBPRGKRZSA-N 1 1 365.386 0.943 10 5 FCBEMO CC1(C)C[NH+](CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000583639316 491849264 /nfs/dbraw/zinc/84/92/64/491849264.db2.gz CQAAUPVSLIXMAM-UHFFFAOYSA-N 1 1 370.431 0.331 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+]3CCNCC3)CC2)n1 ZINC000583811575 491852539 /nfs/dbraw/zinc/85/25/39/491852539.db2.gz KDPOYCRHUDJPQZ-UHFFFAOYSA-N 1 1 350.423 0.757 10 5 FCBEMO CC[NH+]1CCN(C(=O)CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601110985 491896866 /nfs/dbraw/zinc/89/68/66/491896866.db2.gz NCWMBYPZHDZVSH-UHFFFAOYSA-N 1 1 364.328 0.923 10 5 FCBEMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595662815 491946794 /nfs/dbraw/zinc/94/67/94/491946794.db2.gz CMAIXNGAWPTSIS-QWHCGFSZSA-N 1 1 358.372 0.289 10 5 FCBEMO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000599129810 492137473 /nfs/dbraw/zinc/13/74/73/492137473.db2.gz HXHUTNZJJJBRMC-QGZVFWFLSA-N 1 1 364.402 0.721 10 5 FCBEMO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000599129810 492137474 /nfs/dbraw/zinc/13/74/74/492137474.db2.gz HXHUTNZJJJBRMC-QGZVFWFLSA-N 1 1 364.402 0.721 10 5 FCBEMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599265572 492151526 /nfs/dbraw/zinc/15/15/26/492151526.db2.gz FJEYZESRJJHPAL-LBPRGKRZSA-N 1 1 359.452 0.975 10 5 FCBEMO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599328605 492160747 /nfs/dbraw/zinc/16/07/47/492160747.db2.gz AQENRYANMQPRQT-UHFFFAOYSA-N 1 1 374.467 0.023 10 5 FCBEMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609121274 492197643 /nfs/dbraw/zinc/19/76/43/492197643.db2.gz KINPQPAZUFXNKY-JTQLQIEISA-N 1 1 357.388 0.739 10 5 FCBEMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609121274 492197645 /nfs/dbraw/zinc/19/76/45/492197645.db2.gz KINPQPAZUFXNKY-JTQLQIEISA-N 1 1 357.388 0.739 10 5 FCBEMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690947 492199970 /nfs/dbraw/zinc/19/99/70/492199970.db2.gz CIUQOKWSTWKWRU-NSHDSACASA-N 1 1 370.431 0.455 10 5 FCBEMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690947 492199972 /nfs/dbraw/zinc/19/99/72/492199972.db2.gz CIUQOKWSTWKWRU-NSHDSACASA-N 1 1 370.431 0.455 10 5 FCBEMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000609279120 492203174 /nfs/dbraw/zinc/20/31/74/492203174.db2.gz HJCQYSYKHBGASG-GFCCVEGCSA-N 1 1 373.431 0.993 10 5 FCBEMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000609279120 492203175 /nfs/dbraw/zinc/20/31/75/492203175.db2.gz HJCQYSYKHBGASG-GFCCVEGCSA-N 1 1 373.431 0.993 10 5 FCBEMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183812 546945578 /nfs/dbraw/zinc/94/55/78/546945578.db2.gz FUSYSCMQCJMRGI-PWSUYJOCSA-N 1 1 365.312 0.153 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872822 546959993 /nfs/dbraw/zinc/95/99/93/546959993.db2.gz LZQSEXCQQYKRRG-SNVBAGLBSA-N 1 1 352.395 0.462 10 5 FCBEMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000594477940 546999418 /nfs/dbraw/zinc/99/94/18/546999418.db2.gz JWKSOZUHPLCXRF-QWHCGFSZSA-N 1 1 355.416 0.651 10 5 FCBEMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000594477940 546999423 /nfs/dbraw/zinc/99/94/23/546999423.db2.gz JWKSOZUHPLCXRF-QWHCGFSZSA-N 1 1 355.416 0.651 10 5 FCBEMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478377 547000101 /nfs/dbraw/zinc/00/01/01/547000101.db2.gz 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Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1F ZINC001713159348 1287267648 /nfs/dbraw/zinc/26/76/48/1287267648.db2.gz XODZUXADWJQTTO-RGCMKSIDSA-N 1 1 364.377 0.975 10 5 FCBEMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)NCc1ccco1 ZINC001714133060 1287312780 /nfs/dbraw/zinc/31/27/80/1287312780.db2.gz HYHNQGPVMRVQOI-ZIAGYGMSSA-N 1 1 364.402 0.580 10 5 FCBEMO CN(CC[NH2+]CC(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714704596 1287330780 /nfs/dbraw/zinc/33/07/80/1287330780.db2.gz TZXZJHIKJIDEFP-ZIAGYGMSSA-N 1 1 368.821 0.669 10 5 FCBEMO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1cnccn1 ZINC001715183052 1287345758 /nfs/dbraw/zinc/34/57/58/1287345758.db2.gz QJYZDHZDDRSAIY-FDYHWXHSSA-N 1 1 362.390 0.097 10 5 FCBEMO CC(C)NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001716725996 1287388704 /nfs/dbraw/zinc/38/87/04/1287388704.db2.gz UTIFNYQOUHTFEI-ZIAGYGMSSA-N 1 1 352.435 0.491 10 5 FCBEMO CCCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001717347597 1287419287 /nfs/dbraw/zinc/41/92/87/1287419287.db2.gz AYAJQVMCWRIZCP-HUUCEWRRSA-N 1 1 366.462 0.882 10 5 FCBEMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001717631392 1287430818 /nfs/dbraw/zinc/43/08/18/1287430818.db2.gz HSPVCWVLGMUVKW-DTDBQYNISA-N 1 1 364.446 0.348 10 5 FCBEMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCNC(=O)C1CC1)C2 ZINC001717631392 1287430823 /nfs/dbraw/zinc/43/08/23/1287430823.db2.gz HSPVCWVLGMUVKW-DTDBQYNISA-N 1 1 364.446 0.348 10 5 FCBEMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001717631392 1287430828 /nfs/dbraw/zinc/43/08/28/1287430828.db2.gz HSPVCWVLGMUVKW-DTDBQYNISA-N 1 1 364.446 0.348 10 5 FCBEMO CN(CC(C)(C)CNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001718124528 1287461511 /nfs/dbraw/zinc/46/15/11/1287461511.db2.gz QGSDMVCICXZSGN-ZIAGYGMSSA-N 1 1 368.478 0.984 10 5 FCBEMO CN(CC(C)(C)CNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718124528 1287461514 /nfs/dbraw/zinc/46/15/14/1287461514.db2.gz QGSDMVCICXZSGN-ZIAGYGMSSA-N 1 1 368.478 0.984 10 5 FCBEMO CN(CC(C)(C)CNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718124528 1287461518 /nfs/dbraw/zinc/46/15/18/1287461518.db2.gz QGSDMVCICXZSGN-ZIAGYGMSSA-N 1 1 368.478 0.984 10 5 FCBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC001585786757 1282244271 /nfs/dbraw/zinc/24/42/71/1282244271.db2.gz HGQZFUDLRAFLKH-AWEZNQCLSA-N 1 1 363.418 0.435 10 5 FCBEMO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001587297513 1282345942 /nfs/dbraw/zinc/34/59/42/1282345942.db2.gz XFGYCXLEKJKWEP-SUMWQHHRSA-N 1 1 351.403 0.887 10 5 FCBEMO COCC[NH+](CCOC)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001640611692 1282882886 /nfs/dbraw/zinc/88/28/86/1282882886.db2.gz IOPBQHVBSRFNAC-UHFFFAOYSA-N 1 1 352.391 0.596 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001642574184 1283022316 /nfs/dbraw/zinc/02/23/16/1283022316.db2.gz IQXHWHIVBBEHET-AWEZNQCLSA-N 1 1 373.413 0.978 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001642574184 1283022326 /nfs/dbraw/zinc/02/23/26/1283022326.db2.gz IQXHWHIVBBEHET-AWEZNQCLSA-N 1 1 373.413 0.978 10 5 FCBEMO C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001703518949 1286115570 /nfs/dbraw/zinc/11/55/70/1286115570.db2.gz PXFYVZNEYWDOFH-ZIAGYGMSSA-N 1 1 352.435 0.348 10 5 FCBEMO C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)(C)C ZINC001703880284 1286159520 /nfs/dbraw/zinc/15/95/20/1286159520.db2.gz WLHUJFFUIVWNDN-LXTVHRRPSA-N 1 1 366.462 0.831 10 5 FCBEMO C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)(C)C ZINC001703880284 1286159525 /nfs/dbraw/zinc/15/95/25/1286159525.db2.gz WLHUJFFUIVWNDN-LXTVHRRPSA-N 1 1 366.462 0.831 10 5 FCBEMO C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)(C)C ZINC001703880284 1286159528 /nfs/dbraw/zinc/15/95/28/1286159528.db2.gz WLHUJFFUIVWNDN-LXTVHRRPSA-N 1 1 366.462 0.831 10 5 FCBEMO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001731445153 1288557670 /nfs/dbraw/zinc/55/76/70/1288557670.db2.gz YFBZKNYTHKIPJM-QHSBEEBCSA-N 1 1 362.386 0.536 10 5 FCBEMO CCc1onc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001733467009 1288611434 /nfs/dbraw/zinc/61/14/34/1288611434.db2.gz NVDIIEPEUPPLDJ-TZMCWYRMSA-N 1 1 366.418 0.966 10 5 FCBEMO Cc1cncc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001733578274 1288618929 /nfs/dbraw/zinc/61/89/29/1288618929.db2.gz DEDKZMYMLVCTHP-IAGOWNOFSA-N 1 1 361.446 0.725 10 5 FCBEMO CCC1([NH2+]CCN2CCNC2=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733802542 1288630239 /nfs/dbraw/zinc/63/02/39/1288630239.db2.gz DJQABUJUFHGPSA-CHWSQXEVSA-N 1 1 353.423 0.038 10 5 FCBEMO C[NH+](C)C1(C(=O)NCCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001735627544 1288760542 /nfs/dbraw/zinc/76/05/42/1288760542.db2.gz QVTHWIWNNUQKCD-HUUCEWRRSA-N 1 1 364.446 0.801 10 5 FCBEMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001618485015 1289912734 /nfs/dbraw/zinc/91/27/34/1289912734.db2.gz NIJATHPDYPQFTH-DYVFJYSZSA-N 1 1 363.418 0.849 10 5 FCBEMO C[C@@H]([NH2+][C@@H]1C(=O)NCC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620616746 1290006871 /nfs/dbraw/zinc/00/68/71/1290006871.db2.gz JUNRFMKKXCBGHU-BXUZGUMPSA-N 1 1 362.386 0.807 10 5 FCBEMO C[C@@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@@H+]1CCO ZINC001625757330 1290365769 /nfs/dbraw/zinc/36/57/69/1290365769.db2.gz MZVBZCDTSOKPOS-CQSZACIVSA-N 1 1 373.413 0.978 10 5 FCBEMO C[C@@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@H+]1CCO ZINC001625757330 1290365781 /nfs/dbraw/zinc/36/57/81/1290365781.db2.gz MZVBZCDTSOKPOS-CQSZACIVSA-N 1 1 373.413 0.978 10 5 FCBEMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001626354263 1290392341 /nfs/dbraw/zinc/39/23/41/1290392341.db2.gz RXQMKPLKPKPZKQ-HNNXBMFYSA-N 1 1 361.402 0.731 10 5 FCBEMO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001643279013 1290870686 /nfs/dbraw/zinc/87/06/86/1290870686.db2.gz MWVIENPQZMEGJQ-OLZOCXBDSA-N 1 1 350.375 0.812 10 5 FCBEMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCC1OCCO1 ZINC001643564761 1290905311 /nfs/dbraw/zinc/90/53/11/1290905311.db2.gz HNLOFPIRVMSHLW-UHFFFAOYSA-N 1 1 359.404 0.568 10 5 FCBEMO COC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001651494836 1291224914 /nfs/dbraw/zinc/22/49/14/1291224914.db2.gz CBIAZFPSLSRSNV-STQMWFEESA-N 1 1 350.375 0.812 10 5 FCBEMO COCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC001654057284 1291391328 /nfs/dbraw/zinc/39/13/28/1291391328.db2.gz VRUIYYDOMIMQDN-MNOVXSKESA-N 1 1 356.301 0.024 10 5 FCBEMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)CCNC(=O)OC(C)(C)C 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Cc1nsc(C)c1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484952495 1263493481 /nfs/dbraw/zinc/49/34/81/1263493481.db2.gz GEJOHPBLWXQHPJ-TZMCWYRMSA-N 1 1 368.459 0.868 10 5 FCBEMO CC1CC[NH+](CC(=O)NCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CC1 ZINC001497530325 1263937822 /nfs/dbraw/zinc/93/78/22/1263937822.db2.gz LXGULUPRJSMAAC-HUUCEWRRSA-N 1 1 352.435 0.491 10 5 FCBEMO CN(CCC[NH2+]Cc1ncnn1-c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001498545051 1263976786 /nfs/dbraw/zinc/97/67/86/1263976786.db2.gz DEQSMTLBTJRXAU-HUUCEWRRSA-N 1 1 358.402 0.871 10 5 FCBEMO CC(C)N(C)C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001500424965 1264067269 /nfs/dbraw/zinc/06/72/69/1264067269.db2.gz YGMUDGDYKUPEEY-ZIAGYGMSSA-N 1 1 354.451 0.737 10 5 FCBEMO O=C(NC1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001334767602 1267167720 /nfs/dbraw/zinc/16/77/20/1267167720.db2.gz QBXKLMUMHCGWMA-ZIAGYGMSSA-N 1 1 364.446 0.683 10 5 FCBEMO 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COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001560054073 1269184631 /nfs/dbraw/zinc/18/46/31/1269184631.db2.gz RIMFBDDLCNSWGQ-NWDGAFQWSA-N 1 1 352.391 0.539 10 5 FCBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001560231835 1269199522 /nfs/dbraw/zinc/19/95/22/1269199522.db2.gz CDAPNACAAYZGGR-OLZOCXBDSA-N 1 1 367.402 0.855 10 5 FCBEMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566971962 1269670946 /nfs/dbraw/zinc/67/09/46/1269670946.db2.gz XUJMFWQKCYJNEC-NZFPMDFQSA-N 1 1 369.315 0.615 10 5 FCBEMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001566971962 1269670953 /nfs/dbraw/zinc/67/09/53/1269670953.db2.gz XUJMFWQKCYJNEC-NZFPMDFQSA-N 1 1 369.315 0.615 10 5 FCBEMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001566971962 1269670961 /nfs/dbraw/zinc/67/09/61/1269670961.db2.gz XUJMFWQKCYJNEC-NZFPMDFQSA-N 1 1 369.315 0.615 10 5 FCBEMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC001567317512 1269687638 /nfs/dbraw/zinc/68/76/38/1269687638.db2.gz OYYHSYLIOXOTIL-QGZVFWFLSA-N 1 1 359.386 0.636 10 5 FCBEMO O=C(NC1(C[NH2+]Cc2ccc(F)cn2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001570300879 1269867558 /nfs/dbraw/zinc/86/75/58/1269867558.db2.gz BDEQSQOAVIXPHX-ZIAGYGMSSA-N 1 1 352.366 0.641 10 5 FCBEMO O=C(NC1(CO)CC[NH+](Cc2ccc(CO)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001570491919 1269893324 /nfs/dbraw/zinc/89/33/24/1269893324.db2.gz ISMOHGQESSMKGC-HZPDHXFCSA-N 1 1 363.414 0.287 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1ccccc1F ZINC001713192637 1287270060 /nfs/dbraw/zinc/27/00/60/1287270060.db2.gz TWVYWBLQTHWCHY-QVHKTLOISA-N 1 1 364.377 0.344 10 5 FCBEMO Cc1cc(NC(=O)C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001715181009 1287346079 /nfs/dbraw/zinc/34/60/79/1287346079.db2.gz AFSAWILSYMMDME-FDYHWXHSSA-N 1 1 365.390 0.604 10 5 FCBEMO CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C12CCC[NH+]1CCC2 ZINC001581372711 1279785898 /nfs/dbraw/zinc/78/58/98/1279785898.db2.gz DYRSXEFHZIKKOW-ZIAGYGMSSA-N 1 1 352.435 0.635 10 5 FCBEMO Cc1ncsc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717016244 1287401796 /nfs/dbraw/zinc/40/17/96/1287401796.db2.gz YXDVMUVFMHXGAW-ZIAGYGMSSA-N 1 1 367.475 0.787 10 5 FCBEMO CCC1([NH2+]CCN2CCCC2=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717237351 1287414396 /nfs/dbraw/zinc/41/43/96/1287414396.db2.gz GSAJWTWHBIIMCC-ZIAGYGMSSA-N 1 1 352.435 0.635 10 5 FCBEMO COc1nccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001717452366 1287421915 /nfs/dbraw/zinc/42/19/15/1287421915.db2.gz ASOMALNYBQIQIY-CHWSQXEVSA-N 1 1 351.407 0.725 10 5 FCBEMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001587412931 1282354517 /nfs/dbraw/zinc/35/45/17/1282354517.db2.gz VQCYJJAGJNNRHM-ZDUSSCGKSA-N 1 1 363.292 0.694 10 5 FCBEMO CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@H+](C)CC1 ZINC001639335703 1282772844 /nfs/dbraw/zinc/77/28/44/1282772844.db2.gz BDOFZWZVMVBRFZ-UHFFFAOYSA-N 1 1 373.417 0.495 10 5 FCBEMO CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@@H+](C)CC1 ZINC001639335703 1282772852 /nfs/dbraw/zinc/77/28/52/1282772852.db2.gz BDOFZWZVMVBRFZ-UHFFFAOYSA-N 1 1 373.417 0.495 10 5 FCBEMO O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001641267400 1282935775 /nfs/dbraw/zinc/93/57/75/1282935775.db2.gz GOZCSRQFQFXRIE-JQWIXIFHSA-N 1 1 361.337 0.439 10 5 FCBEMO O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001641267400 1282935784 /nfs/dbraw/zinc/93/57/84/1282935784.db2.gz GOZCSRQFQFXRIE-JQWIXIFHSA-N 1 1 361.337 0.439 10 5 FCBEMO C[NH+](C)CCCC(=O)N1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001681268992 1283490014 /nfs/dbraw/zinc/49/00/14/1283490014.db2.gz CVRUNKCFTCNZJU-HUUCEWRRSA-N 1 1 366.462 0.881 10 5 FCBEMO CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC1([NH+](C)C)CCCC1 ZINC001704884538 1286314340 /nfs/dbraw/zinc/31/43/40/1286314340.db2.gz QYJHXQAWIZDPFQ-ZIAGYGMSSA-N 1 1 354.451 0.833 10 5 FCBEMO CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001724595439 1288446465 /nfs/dbraw/zinc/44/64/65/1288446465.db2.gz LDARBZJSIWMOBR-YIDVYQOGSA-N 1 1 366.462 0.878 10 5 FCBEMO CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001724595439 1288446470 /nfs/dbraw/zinc/44/64/70/1288446470.db2.gz LDARBZJSIWMOBR-YIDVYQOGSA-N 1 1 366.462 0.878 10 5 FCBEMO CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001724595439 1288446474 /nfs/dbraw/zinc/44/64/74/1288446474.db2.gz LDARBZJSIWMOBR-YIDVYQOGSA-N 1 1 366.462 0.878 10 5 FCBEMO CC(C)CN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(C)C ZINC001731475823 1288557476 /nfs/dbraw/zinc/55/74/76/1288557476.db2.gz CRRQIZATTSNIQA-LXTVHRRPSA-N 1 1 354.451 0.781 10 5 FCBEMO CN(C(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001732292016 1288580947 /nfs/dbraw/zinc/58/09/47/1288580947.db2.gz FSDXWBPRRFAYBH-HUUCEWRRSA-N 1 1 352.435 0.491 10 5 FCBEMO Cc1cccc(CNC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001733242755 1288605153 /nfs/dbraw/zinc/60/51/53/1288605153.db2.gz KBVCEIGWMZAMSF-HUUCEWRRSA-N 1 1 360.414 0.515 10 5 FCBEMO C[N@@H+](CCn1cncn1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733678521 1288625011 /nfs/dbraw/zinc/62/50/11/1288625011.db2.gz ZMGNLIKSJGBOCB-HZPDHXFCSA-N 1 1 358.402 0.692 10 5 FCBEMO C[N@H+](CCn1cncn1)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733678521 1288625013 /nfs/dbraw/zinc/62/50/13/1288625013.db2.gz ZMGNLIKSJGBOCB-HZPDHXFCSA-N 1 1 358.402 0.692 10 5 FCBEMO C[N@@H+](CCn1cncn1)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733678521 1288625014 /nfs/dbraw/zinc/62/50/14/1288625014.db2.gz ZMGNLIKSJGBOCB-HZPDHXFCSA-N 1 1 358.402 0.692 10 5 FCBEMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)C1=CC[N@@H+](C)CC1 ZINC001611445614 1289649689 /nfs/dbraw/zinc/64/96/89/1289649689.db2.gz OEVGZAYXUCICAI-LLVKDONJSA-N 1 1 357.374 0.951 10 5 FCBEMO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001612950793 1289706763 /nfs/dbraw/zinc/70/67/63/1289706763.db2.gz WOIDVXWUFXPZHN-QMTHXVAHSA-N 1 1 357.436 0.288 10 5 FCBEMO C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001612950792 1289706870 /nfs/dbraw/zinc/70/68/70/1289706870.db2.gz WOIDVXWUFXPZHN-IINYFYTJSA-N 1 1 357.436 0.288 10 5 FCBEMO C[C@]12C[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@]1(C)C(=O)NC2=O ZINC001620488419 1289991989 /nfs/dbraw/zinc/99/19/89/1289991989.db2.gz YJCRCWJHZUKQTF-HDICACEKSA-N 1 1 372.381 0.469 10 5 FCBEMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)[C@H]2C1 ZINC001623651513 1290227627 /nfs/dbraw/zinc/22/76/27/1290227627.db2.gz APZUZNPPIFCDLY-BPNCWPANSA-N 1 1 357.374 0.641 10 5 FCBEMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)[C@@H]2C1 ZINC001623651514 1290228183 /nfs/dbraw/zinc/22/81/83/1290228183.db2.gz APZUZNPPIFCDLY-GDLCADMTSA-N 1 1 357.374 0.641 10 5 FCBEMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC001626697351 1290410124 /nfs/dbraw/zinc/41/01/24/1290410124.db2.gz KZDXXHGGYKTMEM-ZDUSSCGKSA-N 1 1 351.407 0.896 10 5 FCBEMO O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001628120761 1290507590 /nfs/dbraw/zinc/50/75/90/1290507590.db2.gz HOIFJMNRWHDAHN-DOTOQJQBSA-N 1 1 371.397 0.731 10 5 FCBEMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001648635533 1291133801 /nfs/dbraw/zinc/13/38/01/1291133801.db2.gz QWVKBXRYPYOWTH-NWDGAFQWSA-N 1 1 353.375 0.465 10 5 FCBEMO COc1ccc(NC(=O)C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001648635533 1291133808 /nfs/dbraw/zinc/13/38/08/1291133808.db2.gz QWVKBXRYPYOWTH-NWDGAFQWSA-N 1 1 353.375 0.465 10 5 FCBEMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001651165206 1291199740 /nfs/dbraw/zinc/19/97/40/1291199740.db2.gz RZYAINDHXRLQPY-SMDDNHRTSA-N 1 1 350.331 0.784 10 5 FCBEMO NS(=O)(=O)c1cccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001651494967 1291224986 /nfs/dbraw/zinc/22/49/86/1291224986.db2.gz HJVZEVACPZSGAT-NEPJUHHUSA-N 1 1 370.431 0.278 10 5 FCBEMO CNC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001654781401 1291435572 /nfs/dbraw/zinc/43/55/72/1291435572.db2.gz KMYPYARUSTXSQB-OLZOCXBDSA-N 1 1 352.391 0.728 10 5 FCBEMO O=C(CC[NH+]1CCN(Cc2nc[nH]n2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001654926787 1291445473 /nfs/dbraw/zinc/44/54/73/1291445473.db2.gz GKFVOCYZYFNJHK-UHFFFAOYSA-N 1 1 359.390 0.859 10 5 FCBEMO CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001656132157 1291497520 /nfs/dbraw/zinc/49/75/20/1291497520.db2.gz GFMGSHBEVJLRAB-LMLFDSFASA-N 1 1 366.340 0.157 10 5 FCBEMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](CCO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001656540818 1291542464 /nfs/dbraw/zinc/54/24/64/1291542464.db2.gz PEPGFYHAISFMRL-STQMWFEESA-N 1 1 367.402 0.855 10 5 FCBEMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001656540818 1291542472 /nfs/dbraw/zinc/54/24/72/1291542472.db2.gz PEPGFYHAISFMRL-STQMWFEESA-N 1 1 367.402 0.855 10 5 FCBEMO CC(C)CNC(=O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001667413926 1291936705 /nfs/dbraw/zinc/93/67/05/1291936705.db2.gz UJBFYUBCWCPOKD-HZPDHXFCSA-N 1 1 368.478 0.984 10 5 FCBEMO CC(C)CNC(=O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001667413926 1291936711 /nfs/dbraw/zinc/93/67/11/1291936711.db2.gz UJBFYUBCWCPOKD-HZPDHXFCSA-N 1 1 368.478 0.984 10 5 FCBEMO CC(C)CNC(=O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001667413926 1291936715 /nfs/dbraw/zinc/93/67/15/1291936715.db2.gz UJBFYUBCWCPOKD-HZPDHXFCSA-N 1 1 368.478 0.984 10 5 FCBEMO CC1CCN(C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001673434899 1292107728 /nfs/dbraw/zinc/10/77/28/1292107728.db2.gz XOAAZJOQLOZLCD-HUUCEWRRSA-N 1 1 354.451 0.690 10 5 FCBEMO C[NH+](C)CCCCC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001679001405 1292289569 /nfs/dbraw/zinc/28/95/69/1292289569.db2.gz ROWIKHYQSYEQEQ-HUUCEWRRSA-N 1 1 366.462 0.835 10 5 FCBEMO CC[N@@H+]1CC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001136473537 849223116 /nfs/dbraw/zinc/22/31/16/849223116.db2.gz QMIDDXKPBNGQFU-ZDUSSCGKSA-N 1 1 356.404 0.084 10 5 FCBEMO CC[N@H+]1CC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001136473537 849223124 /nfs/dbraw/zinc/22/31/24/849223124.db2.gz QMIDDXKPBNGQFU-ZDUSSCGKSA-N 1 1 356.404 0.084 10 5 FCBEMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001142428367 849443641 /nfs/dbraw/zinc/44/36/41/849443641.db2.gz MDFPEVNFGLFQDL-NSHDSACASA-N 1 1 370.431 0.702 10 5 FCBEMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001146196194 849548207 /nfs/dbraw/zinc/54/82/07/849548207.db2.gz 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ZINC000558721703 491443839 /nfs/dbraw/zinc/44/38/39/491443839.db2.gz BXEDTXIVOBHQDQ-CYBMUJFWSA-N 1 1 369.447 0.393 10 5 FCBEMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000569109751 491634461 /nfs/dbraw/zinc/63/44/61/491634461.db2.gz BWDDUNNKBWCUQH-JMSVASOKSA-N 1 1 367.427 0.967 10 5 FCBEMO C[C@@]1(F)C[NH2+]CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000580563535 491736562 /nfs/dbraw/zinc/73/65/62/491736562.db2.gz YTDCIRGSHAYRIG-MRXNPFEDSA-N 1 1 366.349 0.480 10 5 FCBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590445056 491777215 /nfs/dbraw/zinc/77/72/15/491777215.db2.gz PXDQOUJUXODDOP-PWSUYJOCSA-N 1 1 354.388 0.018 10 5 FCBEMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000590538755 491778290 /nfs/dbraw/zinc/77/82/90/491778290.db2.gz RVSUKXFGDCUUKZ-CABCVRRESA-N 1 1 364.377 0.969 10 5 FCBEMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590564999 491779393 /nfs/dbraw/zinc/77/93/93/491779393.db2.gz IJUUUKQOZGPDOK-KBPBESRZSA-N 1 1 350.375 0.078 10 5 FCBEMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595384357 491926487 /nfs/dbraw/zinc/92/64/87/491926487.db2.gz JLYAJLGNUAKQCM-INIZCTEOSA-N 1 1 369.443 0.956 10 5 FCBEMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596165452 491978156 /nfs/dbraw/zinc/97/81/56/491978156.db2.gz KYWVOCJQQJDJKR-VIFPVBQESA-N 1 1 363.403 0.783 10 5 FCBEMO NS(=O)(=O)c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537869 491989004 /nfs/dbraw/zinc/98/90/04/491989004.db2.gz IYFQCQPHWXBUBW-GFCCVEGCSA-N 1 1 370.431 0.278 10 5 FCBEMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537193 491989119 /nfs/dbraw/zinc/98/91/19/491989119.db2.gz CGPQZPFJGIAQRD-ZDUSSCGKSA-N 1 1 370.431 0.278 10 5 FCBEMO CCCc1n[nH]c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598454610 492099576 /nfs/dbraw/zinc/09/95/76/492099576.db2.gz XFPFVPXIGQZVON-GFCCVEGCSA-N 1 1 351.407 0.942 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598454610 492099577 /nfs/dbraw/zinc/09/95/77/492099577.db2.gz XFPFVPXIGQZVON-GFCCVEGCSA-N 1 1 351.407 0.942 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598454610 492099578 /nfs/dbraw/zinc/09/95/78/492099578.db2.gz XFPFVPXIGQZVON-GFCCVEGCSA-N 1 1 351.407 0.942 10 5 FCBEMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)n1 ZINC000599102801 492135759 /nfs/dbraw/zinc/13/57/59/492135759.db2.gz UOEOXESUYZHCEM-LLVKDONJSA-N 1 1 352.376 0.059 10 5 FCBEMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC000599286356 492154870 /nfs/dbraw/zinc/15/48/70/492154870.db2.gz IDRXYXUMGYUQRU-LLVKDONJSA-N 1 1 361.424 0.108 10 5 FCBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000599542624 492185715 /nfs/dbraw/zinc/18/57/15/492185715.db2.gz COQLWPMFBXMEGR-ZFWWWQNUSA-N 1 1 354.407 0.406 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc1 ZINC000593536270 546971458 /nfs/dbraw/zinc/97/14/58/546971458.db2.gz PKHDVEFFCVYYSV-AWEZNQCLSA-N 1 1 370.431 0.865 10 5 FCBEMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc1 ZINC000593536270 546971460 /nfs/dbraw/zinc/97/14/60/546971460.db2.gz PKHDVEFFCVYYSV-AWEZNQCLSA-N 1 1 370.431 0.865 10 5 FCBEMO CCCc1[nH]nc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593783676 546991805 /nfs/dbraw/zinc/99/18/05/546991805.db2.gz BXZNLJGZOLBFDM-UHFFFAOYSA-N 1 1 352.395 0.116 10 5 FCBEMO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594230407 546996947 /nfs/dbraw/zinc/99/69/47/546996947.db2.gz OOHHHMLAYYEXLE-UPJWGTAASA-N 1 1 354.411 0.588 10 5 FCBEMO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594230407 546996950 /nfs/dbraw/zinc/99/69/50/546996950.db2.gz OOHHHMLAYYEXLE-UPJWGTAASA-N 1 1 354.411 0.588 10 5 FCBEMO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000594754821 547005935 /nfs/dbraw/zinc/00/59/35/547005935.db2.gz SXCPWURQIMNUPF-UHFFFAOYSA-N 1 1 370.431 0.723 10 5 FCBEMO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594802741 547012838 /nfs/dbraw/zinc/01/28/38/547012838.db2.gz APWHUYCYKMFILP-LBPRGKRZSA-N 1 1 359.452 0.540 10 5 FCBEMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)n1 ZINC000784961010 668686913 /nfs/dbraw/zinc/68/69/13/668686913.db2.gz VLRNUPGGXLEMCG-NSHDSACASA-N 1 1 353.379 0.521 10 5 FCBEMO COC(=O)c1cc(C)nc(NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000804429278 669380222 /nfs/dbraw/zinc/38/02/22/669380222.db2.gz CAEVNDGNVCDSLK-UHFFFAOYSA-N 1 1 351.363 0.271 10 5 FCBEMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000854590343 671585388 /nfs/dbraw/zinc/58/53/88/671585388.db2.gz RNIALDAKYKBPSO-UHFFFAOYSA-N 1 1 353.350 0.903 10 5 FCBEMO Nc1c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc(F)cc1[N+](=O)[O-] ZINC001648908315 1169351617 /nfs/dbraw/zinc/35/16/17/1169351617.db2.gz CRUJJHPASNDLCI-MEDUHNTESA-N 1 1 368.365 0.272 10 5 FCBEMO Nc1c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc(F)cc1[N+](=O)[O-] ZINC001648908315 1169351624 /nfs/dbraw/zinc/35/16/24/1169351624.db2.gz CRUJJHPASNDLCI-MEDUHNTESA-N 1 1 368.365 0.272 10 5 FCBEMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCCc1ccccc1 ZINC001266683547 1170059196 /nfs/dbraw/zinc/05/91/96/1170059196.db2.gz QPRZLFLUVNSVRP-QKPAOTATSA-N 1 1 360.414 0.247 10 5 FCBEMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001625875661 1171788930 /nfs/dbraw/zinc/78/89/30/1171788930.db2.gz HUXHBHPBASHWJE-RYUDHWBXSA-N 1 1 357.374 0.927 10 5 FCBEMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)CC[C@H]21 ZINC001648928046 1183675436 /nfs/dbraw/zinc/67/54/36/1183675436.db2.gz IQHATXRGAHWFAV-SMDDNHRTSA-N 1 1 357.374 0.737 10 5 FCBEMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCc1ccc(F)cc1 ZINC001269411836 1187847369 /nfs/dbraw/zinc/84/73/69/1187847369.db2.gz VIFZVFJTXLCFFI-ZIAGYGMSSA-N 1 1 364.377 0.346 10 5 FCBEMO COC(=O)/C=C/c1ccc(NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000744170755 1198309094 /nfs/dbraw/zinc/30/90/94/1198309094.db2.gz FWAJGWKZRSCXAU-GQCTYLIASA-N 1 1 362.386 0.967 10 5 FCBEMO C[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001136874587 1203294068 /nfs/dbraw/zinc/29/40/68/1203294068.db2.gz QWOAUUNMKDSTEY-JSGCOSHPSA-N 1 1 373.417 0.540 10 5 FCBEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773528964 1206308251 /nfs/dbraw/zinc/30/82/51/1206308251.db2.gz HTPRUNLFVCIJCC-CXAGYDPISA-N 1 1 373.413 0.594 10 5 FCBEMO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196906914 1208121290 /nfs/dbraw/zinc/12/12/90/1208121290.db2.gz INXXINMHVDBLKI-QGZVFWFLSA-N 1 1 367.402 0.850 10 5 FCBEMO C[NH+](C)CCCC(=O)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001489011835 1208606650 /nfs/dbraw/zinc/60/66/50/1208606650.db2.gz KPIUWPLCGPNLQV-HUUCEWRRSA-N 1 1 352.435 0.658 10 5 FCBEMO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001489818564 1209097127 /nfs/dbraw/zinc/09/71/27/1209097127.db2.gz AHQHCVBXFQEDNW-LXTVHRRPSA-N 1 1 352.435 0.539 10 5 FCBEMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854354024 1209623302 /nfs/dbraw/zinc/62/33/02/1209623302.db2.gz KRLXHQXXPGHKIS-CYBMUJFWSA-N 1 1 363.374 0.931 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC001274516471 1211071822 /nfs/dbraw/zinc/07/18/22/1211071822.db2.gz SPWVLJXWRPZJDE-HZPDHXFCSA-N 1 1 363.414 0.287 10 5 FCBEMO COc1cncc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000931212286 1211746108 /nfs/dbraw/zinc/74/61/08/1211746108.db2.gz MUCGSJPYTSACKL-UHFFFAOYSA-N 1 1 359.386 0.982 10 5 FCBEMO COc1ccccc1NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001490890485 1219386569 /nfs/dbraw/zinc/38/65/69/1219386569.db2.gz QVONSIJBEIZOGA-HKUMRIAESA-N 1 1 362.386 0.536 10 5 FCBEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000837190509 1222639649 /nfs/dbraw/zinc/63/96/49/1222639649.db2.gz NVIAGSHNCOKLEK-BLLLJJGKSA-N 1 1 362.386 0.613 10 5 FCBEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000837190509 1222639652 /nfs/dbraw/zinc/63/96/52/1222639652.db2.gz NVIAGSHNCOKLEK-BLLLJJGKSA-N 1 1 362.386 0.613 10 5 FCBEMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000841452264 1222822701 /nfs/dbraw/zinc/82/27/01/1222822701.db2.gz BXWVLZFQWBUPFF-CHWSQXEVSA-N 1 1 361.402 0.858 10 5 FCBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000841452264 1222822702 /nfs/dbraw/zinc/82/27/02/1222822702.db2.gz BXWVLZFQWBUPFF-CHWSQXEVSA-N 1 1 361.402 0.858 10 5 FCBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000941007776 1246428308 /nfs/dbraw/zinc/42/83/08/1246428308.db2.gz SRNXLFJTJKRITQ-HUUCEWRRSA-N 1 1 364.446 0.589 10 5 FCBEMO CN(CC(C)(C)C[NH2+]Cc1nc(C2CC2)nn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001329291154 1265728350 /nfs/dbraw/zinc/72/83/50/1265728350.db2.gz HHCZAFFOWDHWNE-CHWSQXEVSA-N 1 1 364.450 0.932 10 5 FCBEMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001264509936 1260377252 /nfs/dbraw/zinc/37/72/52/1260377252.db2.gz AVUUYVKRSZINOA-UHFFFAOYSA-N 1 1 366.422 0.207 10 5 FCBEMO C[N@@H+](CCNC(=O)NC(C)(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283306750 1261677470 /nfs/dbraw/zinc/67/74/70/1261677470.db2.gz GOWAVLUNTKRALF-ZIAGYGMSSA-N 1 1 369.466 0.672 10 5 FCBEMO C[N@H+](CCNC(=O)NC(C)(C)C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283306750 1261677478 /nfs/dbraw/zinc/67/74/78/1261677478.db2.gz GOWAVLUNTKRALF-ZIAGYGMSSA-N 1 1 369.466 0.672 10 5 FCBEMO C[N@@H+](CCNC(=O)NC(C)(C)C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283306750 1261677484 /nfs/dbraw/zinc/67/74/84/1261677484.db2.gz GOWAVLUNTKRALF-ZIAGYGMSSA-N 1 1 369.466 0.672 10 5 FCBEMO CCN(C)C(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001285003643 1261801814 /nfs/dbraw/zinc/80/18/14/1261801814.db2.gz BHSGJJYHSZRYKX-UKRRQHHQSA-N 1 1 366.393 0.675 10 5 FCBEMO CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C12CCC[NH+](CCC1)C2 ZINC001296502585 1262814826 /nfs/dbraw/zinc/81/48/26/1262814826.db2.gz VOJAMBZTBMELEA-HUUCEWRRSA-N 1 1 366.462 0.882 10 5 FCBEMO C[NH+](C)Cc1ccccc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298395934 1262924581 /nfs/dbraw/zinc/92/45/81/1262924581.db2.gz GWYODONMPKORMF-DOOVEFGSSA-N 1 1 360.414 0.816 10 5 FCBEMO Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(F)c1 ZINC001480203529 1263425938 /nfs/dbraw/zinc/42/59/38/1263425938.db2.gz NYIKUTPVZHWIES-NWJSVONSSA-N 1 1 364.377 0.975 10 5 FCBEMO CN(CCC[NH2+]Cc1cnnn1-c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001483464749 1263442992 /nfs/dbraw/zinc/44/29/92/1263442992.db2.gz QKZHEAYUERFSRT-HZPDHXFCSA-N 1 1 358.402 0.871 10 5 FCBEMO CC(C)N(C)C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001483835741 1263448203 /nfs/dbraw/zinc/44/82/03/1263448203.db2.gz MUVYPPWSSGLUPK-HUUCEWRRSA-N 1 1 366.462 0.833 10 5 FCBEMO Cc1cc(NC(=O)C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001484916507 1263491472 /nfs/dbraw/zinc/49/14/72/1263491472.db2.gz TZFLQLDYJXWZRG-VXGBXAGGSA-N 1 1 365.390 0.557 10 5 FCBEMO Cn1cnnc1C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001317367067 1263508299 /nfs/dbraw/zinc/50/82/99/1263508299.db2.gz UESIBVCMFYOOFA-HUUCEWRRSA-N 1 1 358.402 0.429 10 5 FCBEMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC001319802838 1263734190 /nfs/dbraw/zinc/73/41/90/1263734190.db2.gz APHCBHITDFBJRT-UHFFFAOYSA-N 1 1 365.438 0.203 10 5 FCBEMO C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCC1 ZINC001494218226 1263757700 /nfs/dbraw/zinc/75/77/00/1263757700.db2.gz WLTWMPYOOJAXFW-XJFOESAGSA-N 1 1 352.435 0.680 10 5 FCBEMO C[N@@H+](CCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001498304651 1263968654 /nfs/dbraw/zinc/96/86/54/1263968654.db2.gz NBBZHVUMGOCTLU-HUUCEWRRSA-N 1 1 352.435 0.633 10 5 FCBEMO C[N@H+](CCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCCC1 ZINC001498304651 1263968661 /nfs/dbraw/zinc/96/86/61/1263968661.db2.gz NBBZHVUMGOCTLU-HUUCEWRRSA-N 1 1 352.435 0.633 10 5 FCBEMO C[N@@H+](CCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCCC1 ZINC001498304651 1263968667 /nfs/dbraw/zinc/96/86/67/1263968667.db2.gz NBBZHVUMGOCTLU-HUUCEWRRSA-N 1 1 352.435 0.633 10 5 FCBEMO O=C(C[NH+]1CCCC1)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001499771868 1264045803 /nfs/dbraw/zinc/04/58/03/1264045803.db2.gz CXRYSOBVIAEVKL-HUUCEWRRSA-N 1 1 352.435 0.492 10 5 FCBEMO Cc1ccncc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001501258324 1264114813 /nfs/dbraw/zinc/11/48/13/1264114813.db2.gz 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O=C(NCCN1CC[NH+](CCCC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001566649535 1269654932 /nfs/dbraw/zinc/65/49/32/1269654932.db2.gz XUBADWOKCDKZQT-IAGOWNOFSA-N 1 1 368.478 0.592 10 5 FCBEMO CN(CC1CC1)C(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001715167257 1287345444 /nfs/dbraw/zinc/34/54/44/1287345444.db2.gz BHJUXZPXKUILSH-HZPDHXFCSA-N 1 1 366.462 0.738 10 5 FCBEMO O=C(C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCC1 ZINC001715167318 1287345546 /nfs/dbraw/zinc/34/55/46/1287345546.db2.gz DUNKGWFNARNRGD-HUUCEWRRSA-N 1 1 352.435 0.492 10 5 FCBEMO CC(C)NC(=O)NCC[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001715199153 1287347011 /nfs/dbraw/zinc/34/70/11/1287347011.db2.gz PXCBTODYLZTIGD-HUUCEWRRSA-N 1 1 369.466 0.578 10 5 FCBEMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)N1CCCCC1 ZINC001715300870 1287348928 /nfs/dbraw/zinc/34/89/28/1287348928.db2.gz UBBIUWCEPZQDJP-ZIAGYGMSSA-N 1 1 352.435 0.683 10 5 FCBEMO COCC[N@H+]1CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 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370.431 0.368 10 5 FCBEMO CC[N@H+]1CC[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001643561764 1290905674 /nfs/dbraw/zinc/90/56/74/1290905674.db2.gz ZBJOPSIFDMBOQG-CYBMUJFWSA-N 1 1 370.431 0.426 10 5 FCBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001644116276 1290940671 /nfs/dbraw/zinc/94/06/71/1290940671.db2.gz KRSBHUPGMPFJQA-LWNYNHHKSA-N 1 1 360.370 0.906 10 5 FCBEMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]1COC(C)(C)O1 ZINC001654007576 1291388152 /nfs/dbraw/zinc/38/81/52/1291388152.db2.gz AHQOZVPMSSBNST-GFCCVEGCSA-N 1 1 373.431 0.956 10 5 FCBEMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]1COC(C)(C)O1 ZINC001654007576 1291388158 /nfs/dbraw/zinc/38/81/58/1291388158.db2.gz AHQOZVPMSSBNST-GFCCVEGCSA-N 1 1 373.431 0.956 10 5 FCBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001655744435 1291482567 /nfs/dbraw/zinc/48/25/67/1291482567.db2.gz UEYUYEIJMKAGHL-UTUOFQBUSA-N 1 1 370.431 0.778 10 5 FCBEMO 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