smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000082577157 398341939 /nfs/dbraw/zinc/34/19/39/398341939.db2.gz ZPJZJQSLGOTPFJ-ZCFIWIBFSA-N 1 0 226.236 0.010 20 5 BCBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH2+]C1 ZINC000230733318 346997726 /nfs/dbraw/zinc/99/77/26/346997726.db2.gz JSPADNBCEVWNQR-JTQLQIEISA-N 1 0 238.247 0.405 20 5 BCBDRO C[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000076991602 344050444 /nfs/dbraw/zinc/05/04/44/344050444.db2.gz SXFHLJKTZNLHMT-UHFFFAOYSA-N 1 0 240.259 0.898 20 5 BCBDRO CN(CC[NH3+])c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081590508 344146019 /nfs/dbraw/zinc/14/60/19/344146019.db2.gz QYYTUSQFRZNSNI-UHFFFAOYSA-N 1 0 247.258 0.933 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165894774 344194910 /nfs/dbraw/zinc/19/49/10/344194910.db2.gz MWIZCGXDKLLSGN-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@H]1CN(C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000408220744 344255155 /nfs/dbraw/zinc/25/51/55/344255155.db2.gz ZCMUVQIEFWNNKN-QMMMGPOBSA-N 1 0 237.263 0.525 20 5 BCBDRO Cn1cc(CN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000603428267 344521325 /nfs/dbraw/zinc/52/13/25/344521325.db2.gz GHFYJUTWHWZJQE-VIFPVBQESA-N 1 0 239.279 0.251 20 5 BCBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429753 344522308 /nfs/dbraw/zinc/52/23/08/344522308.db2.gz QFYCLHSRQOJZMX-APPZFPTMSA-N 1 0 239.279 0.250 20 5 BCBDRO Cn1cc(CN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431911 344525111 /nfs/dbraw/zinc/52/51/11/344525111.db2.gz ZTQALIWZGSNTRN-QMMMGPOBSA-N 1 0 239.279 0.109 20 5 BCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](C)[NH3+] ZINC000381681261 344534527 /nfs/dbraw/zinc/53/45/27/344534527.db2.gz DCTCEEGIAKRAIC-NTSWFWBYSA-N 1 0 226.236 0.388 20 5 BCBDRO O=[N+]([O-])c1ncn(CCC[NH+]2CCCC2)n1 ZINC000188299704 259382372 /nfs/dbraw/zinc/38/23/72/259382372.db2.gz VKBBPEOLTGKWML-UHFFFAOYSA-N 1 0 225.252 0.672 20 5 BCBDRO CN(CC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC000080684592 345430358 /nfs/dbraw/zinc/43/03/58/345430358.db2.gz JDRYWCOJNAHLNR-UHFFFAOYSA-N 1 0 224.264 0.988 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000082573624 345436894 /nfs/dbraw/zinc/43/68/94/345436894.db2.gz PDWZPDWCBQISIX-RXMQYKEDSA-N 1 0 229.261 0.733 20 5 BCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000381763339 346025161 /nfs/dbraw/zinc/02/51/61/346025161.db2.gz OXOMDCCJUTZEOU-RITPCOANSA-N 1 0 226.236 0.388 20 5 BCBDRO Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000052092967 179022493 /nfs/dbraw/zinc/02/24/93/179022493.db2.gz IWWMNISZFNEENO-SECBINFHSA-N 1 0 249.270 0.995 20 5 BCBDRO C[NH+](C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000170769490 346446889 /nfs/dbraw/zinc/44/68/89/346446889.db2.gz HCJYSGRWXRDQSC-UHFFFAOYSA-N 1 0 237.259 0.773 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH3+] ZINC000104226440 179206576 /nfs/dbraw/zinc/20/65/76/179206576.db2.gz LPEWABRCYLSXRY-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO CC[N@H+](C)C[C@@H](O)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000310407912 347279562 /nfs/dbraw/zinc/27/95/62/347279562.db2.gz OMWWAHNTQBZXSU-SECBINFHSA-N 1 0 242.279 0.412 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592546849 347799281 /nfs/dbraw/zinc/79/92/81/347799281.db2.gz DNHOCNCAZXIEKK-ZCFIWIBFSA-N 1 0 238.247 0.254 20 5 BCBDRO Cc1nn(C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000594696874 348101222 /nfs/dbraw/zinc/10/12/22/348101222.db2.gz SHJCVPQYITUMSK-QMMMGPOBSA-N 1 0 226.236 0.088 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1C[C@H]1C[NH2+]CCO1 ZINC000594699100 348101907 /nfs/dbraw/zinc/10/19/07/348101907.db2.gz PWUWBBQBIPKITK-MRVPVSSYSA-N 1 0 226.236 0.088 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000595981203 348416937 /nfs/dbraw/zinc/41/69/37/348416937.db2.gz AWIYSJJXGHMMTL-ZCFIWIBFSA-N 1 0 226.236 0.261 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595983703 348418135 /nfs/dbraw/zinc/41/81/35/348418135.db2.gz QLSNVNLGHIBFEL-QMMMGPOBSA-N 1 0 237.259 0.933 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH2+]CC1 ZINC000037399675 348419868 /nfs/dbraw/zinc/41/98/68/348419868.db2.gz KCCHYZPWMNSOKZ-UHFFFAOYSA-N 1 0 239.279 0.005 20 5 BCBDRO [NH3+][C@H]1C[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000595924303 348402554 /nfs/dbraw/zinc/40/25/54/348402554.db2.gz APJSUJYNCGFTHC-MGCOHNPYSA-N 1 0 249.270 0.948 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000070303610 349991350 /nfs/dbraw/zinc/99/13/50/349991350.db2.gz RLYNBKZPJIARMO-UHFFFAOYSA-N 1 0 240.263 0.225 20 5 BCBDRO C[NH+](C)C1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596178119 348454773 /nfs/dbraw/zinc/45/47/73/348454773.db2.gz ICQZGEFBGQDYME-UHFFFAOYSA-N 1 0 238.247 0.446 20 5 BCBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000419805996 192145725 /nfs/dbraw/zinc/14/57/25/192145725.db2.gz HGCCTSOIDLFJPF-LDYMZIIASA-N 1 0 240.259 0.426 20 5 BCBDRO Cc1nn(C)c(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000036749219 180358588 /nfs/dbraw/zinc/35/85/88/180358588.db2.gz PZUDOCVHRWUYON-UHFFFAOYSA-N 1 0 227.268 0.610 20 5 BCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000383025359 351166670 /nfs/dbraw/zinc/16/66/70/351166670.db2.gz YGWZBTCSRRESHW-ZETCQYMHSA-N 1 0 240.263 0.353 20 5 BCBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]C1 ZINC000230734101 352321339 /nfs/dbraw/zinc/32/13/39/352321339.db2.gz JISRHQOULPLDBS-JTQLQIEISA-N 1 0 239.231 0.670 20 5 BCBDRO CNC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044988739 188297835 /nfs/dbraw/zinc/29/78/35/188297835.db2.gz XFLCTIQJQUHGFQ-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO C[C@@H](Cn1cc([N+](=O)[O-])cc(F)c1=O)[NH+](C)C ZINC000583564241 355646178 /nfs/dbraw/zinc/64/61/78/355646178.db2.gz HPPSGPZXOMDFDH-ZETCQYMHSA-N 1 0 243.238 0.846 20 5 BCBDRO Cc1nc(N[C@@H](C)[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000420254528 192187572 /nfs/dbraw/zinc/18/75/72/192187572.db2.gz AARHSUBMLVVJDJ-RITPCOANSA-N 1 0 225.252 0.841 20 5 BCBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC([NH3+])C1 ZINC000384725373 356730936 /nfs/dbraw/zinc/73/09/36/356730936.db2.gz ABCWVHBRNDOJKD-UHFFFAOYSA-N 1 0 238.247 0.485 20 5 BCBDRO Cc1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000090692726 363565462 /nfs/dbraw/zinc/56/54/62/363565462.db2.gz LRCGNCOMKFZQMO-NXEZZACHSA-N 1 0 248.286 0.954 20 5 BCBDRO CN(c1ncc([N+](=O)[O-])s1)C1CC([NH3+])C1 ZINC000385032364 356872867 /nfs/dbraw/zinc/87/28/67/356872867.db2.gz PZRLNOKOCGYXSK-UHFFFAOYSA-N 1 0 228.277 0.977 20 5 BCBDRO O=[N+]([O-])c1cn(CC[C@H]2CC[NH2+]C2)cn1 ZINC000583691798 357121975 /nfs/dbraw/zinc/12/19/75/357121975.db2.gz OFSBCERTVKICAE-MRVPVSSYSA-N 1 0 210.237 0.791 20 5 BCBDRO CCN(CCn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451285520 202392867 /nfs/dbraw/zinc/39/28/67/202392867.db2.gz NHSAWAQJHKAAHU-UHFFFAOYSA-N 1 0 240.263 0.512 20 5 BCBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000036282283 360798199 /nfs/dbraw/zinc/79/81/99/360798199.db2.gz ZQXGMAKKVLVBEI-UHFFFAOYSA-N 1 0 240.263 0.652 20 5 BCBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000036280313 360798538 /nfs/dbraw/zinc/79/85/38/360798538.db2.gz DQLBMTYHLSUKQW-UHFFFAOYSA-N 1 0 240.263 0.273 20 5 BCBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000036282047 360798627 /nfs/dbraw/zinc/79/86/27/360798627.db2.gz YKPQSHMBRDZCET-UHFFFAOYSA-N 1 0 241.247 0.917 20 5 BCBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000083361907 181328195 /nfs/dbraw/zinc/32/81/95/181328195.db2.gz SPGFDISUIXKTOB-UHFFFAOYSA-N 1 0 235.243 0.702 20 5 BCBDRO [NH3+]C1(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000083361908 181328250 /nfs/dbraw/zinc/32/82/50/181328250.db2.gz SORVVTLTOWAZMQ-UHFFFAOYSA-N 1 0 235.243 0.702 20 5 BCBDRO NC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036746886 361393980 /nfs/dbraw/zinc/39/39/80/361393980.db2.gz CHNLFRBKPBGHGM-UHFFFAOYSA-N 1 0 223.232 0.560 20 5 BCBDRO [NH3+]CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000083365525 181352626 /nfs/dbraw/zinc/35/26/26/181352626.db2.gz IYEFHRVLNLBJRQ-UHFFFAOYSA-N 1 0 238.247 0.082 20 5 BCBDRO C[C@H](NC(=O)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766497 364599505 /nfs/dbraw/zinc/59/95/05/364599505.db2.gz NTVZMXKDZFYNMH-ZETCQYMHSA-N 1 0 223.232 0.731 20 5 BCBDRO [NH3+]CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943209 181368251 /nfs/dbraw/zinc/36/82/51/181368251.db2.gz UKHSXOYURLIMHW-UHFFFAOYSA-N 1 0 223.232 0.560 20 5 BCBDRO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000051355055 181382507 /nfs/dbraw/zinc/38/25/07/181382507.db2.gz VCBRTNYMPAZTAL-UHFFFAOYSA-N 1 0 212.209 0.002 20 5 BCBDRO C[C@@H](O)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000574565837 365090617 /nfs/dbraw/zinc/09/06/17/365090617.db2.gz FCAKDVJRSWRICQ-HTQZYQBOSA-N 1 0 228.252 0.150 20 5 BCBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000087383675 181420758 /nfs/dbraw/zinc/42/07/58/181420758.db2.gz LOFQDXIKZKMOIJ-SSDOTTSWSA-N 1 0 239.231 0.655 20 5 BCBDRO [NH3+]CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000575292786 365280151 /nfs/dbraw/zinc/28/01/51/365280151.db2.gz APZSUYMVKUQBEA-UHFFFAOYSA-N 1 0 217.612 0.369 20 5 BCBDRO Cc1nc(N(C)C2CC([NH3+])C2)ncc1[N+](=O)[O-] ZINC000579814813 367018759 /nfs/dbraw/zinc/01/87/59/367018759.db2.gz NNBKEKBPZJGGSH-UHFFFAOYSA-N 1 0 237.263 0.619 20 5 BCBDRO C[C@@H]([NH3+])CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000581251749 367309236 /nfs/dbraw/zinc/30/92/36/367309236.db2.gz KYZRNQAKOLHZJQ-MRVPVSSYSA-N 1 0 236.275 0.695 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000441613828 201559378 /nfs/dbraw/zinc/55/93/78/201559378.db2.gz RGYXPPLEHUGVRT-ZETCQYMHSA-N 1 0 240.263 0.258 20 5 BCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000567473165 326199446 /nfs/dbraw/zinc/19/94/46/326199446.db2.gz BBZDDZIUZKYCHC-RITPCOANSA-N 1 0 241.251 0.174 20 5 BCBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000107571541 369352278 /nfs/dbraw/zinc/35/22/78/369352278.db2.gz DNPHYFDQGLYRJI-RKDXNWHRSA-N 1 0 234.259 0.645 20 5 BCBDRO C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[NH2+]1 ZINC000602430044 371804202 /nfs/dbraw/zinc/80/42/02/371804202.db2.gz VBHUVNGWLBILAN-QMMMGPOBSA-N 1 0 239.279 0.122 20 5 BCBDRO Cn1cc(CN2CCC([NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603430856 371895738 /nfs/dbraw/zinc/89/57/38/371895738.db2.gz VLDSUYCYVRTBJV-UHFFFAOYSA-N 1 0 239.279 0.251 20 5 BCBDRO CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000132794400 371923492 /nfs/dbraw/zinc/92/34/92/371923492.db2.gz GDYVMHRLJJCZTH-UHFFFAOYSA-N 1 0 226.236 0.344 20 5 BCBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000378185791 182119269 /nfs/dbraw/zinc/11/92/69/182119269.db2.gz YNIICASACCTCBC-SEMOWUPXSA-N 1 0 239.275 0.051 20 5 BCBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000053253208 182238099 /nfs/dbraw/zinc/23/80/99/182238099.db2.gz BMTOOZJIEAALOH-SSDOTTSWSA-N 1 0 238.247 0.405 20 5 BCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000052943173 182254666 /nfs/dbraw/zinc/25/46/66/182254666.db2.gz FPKJEQCFUARAGX-NSHDSACASA-N 1 0 249.270 0.963 20 5 BCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000037668443 182251981 /nfs/dbraw/zinc/25/19/81/182251981.db2.gz LADKCYLLDUTYMK-LLVKDONJSA-N 1 0 249.270 0.963 20 5 BCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000048194337 182258620 /nfs/dbraw/zinc/25/86/20/182258620.db2.gz YEOCKTLMKYEGEZ-JTQLQIEISA-N 1 0 249.270 0.963 20 5 BCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000052092923 182304163 /nfs/dbraw/zinc/30/41/63/182304163.db2.gz FGPOHSRKZDFDAX-ZCFIWIBFSA-N 1 0 224.220 0.015 20 5 BCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000252421609 182345712 /nfs/dbraw/zinc/34/57/12/182345712.db2.gz ZOFMTCTWBYUENO-URLYPYJESA-N 1 0 247.254 0.542 20 5 BCBDRO CC(C)([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015943 383888569 /nfs/dbraw/zinc/88/85/69/383888569.db2.gz CZVNVDJACXOXHD-UHFFFAOYSA-N 1 0 237.259 0.948 20 5 BCBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000310433725 384168004 /nfs/dbraw/zinc/16/80/04/384168004.db2.gz QSVHVLYYVUFURB-SSDOTTSWSA-N 1 0 240.263 0.400 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)C2CC2)n1 ZINC000176209749 384467853 /nfs/dbraw/zinc/46/78/53/384467853.db2.gz OMBNFDGKNPABBS-UHFFFAOYSA-N 1 0 240.263 0.248 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[NH2+]C1 ZINC000070950474 384480925 /nfs/dbraw/zinc/48/09/25/384480925.db2.gz CNGDCRNORBJIGW-ZETCQYMHSA-N 1 0 225.252 0.492 20 5 BCBDRO COC[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000070980133 384487046 /nfs/dbraw/zinc/48/70/46/384487046.db2.gz VTWVZKSONMMFMQ-JTQLQIEISA-N 1 0 240.259 0.692 20 5 BCBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000111303550 385503289 /nfs/dbraw/zinc/50/32/89/385503289.db2.gz QTZHNPGAWCWDOR-SSDOTTSWSA-N 1 0 240.263 0.400 20 5 BCBDRO CC(C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000063020190 385652687 /nfs/dbraw/zinc/65/26/87/385652687.db2.gz YZJAMLBIYQOSQP-UHFFFAOYSA-N 1 0 226.236 0.390 20 5 BCBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)C[NH+](C)C ZINC000291962274 385916246 /nfs/dbraw/zinc/91/62/46/385916246.db2.gz VJYWSZJZLIISBJ-MRVPVSSYSA-N 1 0 241.295 0.938 20 5 BCBDRO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)C[NH+](C)C ZINC000291962275 385917206 /nfs/dbraw/zinc/91/72/06/385917206.db2.gz VJYWSZJZLIISBJ-QMMMGPOBSA-N 1 0 241.295 0.938 20 5 BCBDRO COC[C@](C)([NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000265078996 385931384 /nfs/dbraw/zinc/93/13/84/385931384.db2.gz ZPUGCCUAXOUZGU-SECBINFHSA-N 1 0 243.267 0.104 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](C)O ZINC000051837528 385946906 /nfs/dbraw/zinc/94/69/06/385946906.db2.gz PFNLHGGMZCPNRP-QMMMGPOBSA-N 1 0 242.279 0.412 20 5 BCBDRO C[NH2+]CCNCc1ccc([N+](=O)[O-])cc1 ZINC000414820880 386675006 /nfs/dbraw/zinc/67/50/06/386675006.db2.gz KDKMKBCAPBYEAG-UHFFFAOYSA-N 1 0 209.249 0.904 20 5 BCBDRO CC[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000267046405 386748980 /nfs/dbraw/zinc/74/89/80/386748980.db2.gz FBZAMSBAFUUNPP-UHFFFAOYSA-N 1 0 228.252 0.106 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000441615214 387347480 /nfs/dbraw/zinc/34/74/80/387347480.db2.gz RHHRIONWXLQDJE-LURJTMIESA-N 1 0 243.288 0.981 20 5 BCBDRO O=[N+]([O-])c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415048726 387680467 /nfs/dbraw/zinc/68/04/67/387680467.db2.gz ZULWKUFAAZQGDN-GDNZZTSVSA-N 1 0 233.271 0.902 20 5 BCBDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000137110611 177810768 /nfs/dbraw/zinc/81/07/68/177810768.db2.gz QFQRMMIFXJCJHX-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO C[NH2+][C@@H](C)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649304 388360549 /nfs/dbraw/zinc/36/05/49/388360549.db2.gz KAYJHGMPCZAUKL-ZETCQYMHSA-N 1 0 248.246 0.851 20 5 BCBDRO C[NH2+][C@H](C)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649303 388360958 /nfs/dbraw/zinc/36/09/58/388360958.db2.gz KAYJHGMPCZAUKL-SSDOTTSWSA-N 1 0 248.246 0.851 20 5 BCBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000353615492 388372153 /nfs/dbraw/zinc/37/21/53/388372153.db2.gz LVJVLINGQOPCAT-UHFFFAOYSA-N 1 0 241.247 0.821 20 5 BCBDRO C[NH+](C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193555533 388375386 /nfs/dbraw/zinc/37/53/86/388375386.db2.gz TWDALIOTEGCLLZ-UHFFFAOYSA-N 1 0 237.259 0.773 20 5 BCBDRO COC[C@@](C)([NH3+])CNc1ccncc1[N+](=O)[O-] ZINC000358224826 388398878 /nfs/dbraw/zinc/39/88/78/388398878.db2.gz QMUHHYMFWNMEFH-JTQLQIEISA-N 1 0 240.263 0.187 20 5 BCBDRO C[NH+](C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000170761784 388453531 /nfs/dbraw/zinc/45/35/31/388453531.db2.gz STNVGODVROAKPD-UHFFFAOYSA-N 1 0 237.259 0.773 20 5 BCBDRO CN(CC[NH3+])C(=O)c1ccccc1[N+](=O)[O-] ZINC000054417670 388518777 /nfs/dbraw/zinc/51/87/77/388518777.db2.gz PDDARRNVGFWKIV-UHFFFAOYSA-N 1 0 223.232 0.626 20 5 BCBDRO Cc1nc(N(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000297459075 388567687 /nfs/dbraw/zinc/56/76/87/388567687.db2.gz JZDCGQBSTAJRID-UHFFFAOYSA-N 1 0 239.279 0.691 20 5 BCBDRO C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298837236 388670139 /nfs/dbraw/zinc/67/01/39/388670139.db2.gz DZWMHVYDHCHESR-UHFFFAOYSA-N 1 0 240.263 0.604 20 5 BCBDRO C[NH2+][C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430617220 388728817 /nfs/dbraw/zinc/72/88/17/388728817.db2.gz KWBOUFDQKOOBTP-SECBINFHSA-N 1 0 239.279 0.085 20 5 BCBDRO [NH3+]C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000430571978 388729098 /nfs/dbraw/zinc/72/90/98/388729098.db2.gz OUJGIMNTFRDCJT-SECBINFHSA-N 1 0 239.279 0.214 20 5 BCBDRO [NH3+]C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430940078 388729797 /nfs/dbraw/zinc/72/97/97/388729797.db2.gz NJWGUIOWPUQZPV-SECBINFHSA-N 1 0 239.279 0.072 20 5 BCBDRO [NH3+]C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430641190 388729852 /nfs/dbraw/zinc/72/98/52/388729852.db2.gz LLORSBPUHAXONJ-UHFFFAOYSA-N 1 0 239.279 0.214 20 5 BCBDRO [NH3+]C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430643971 388729934 /nfs/dbraw/zinc/72/99/34/388729934.db2.gz SNFGTBTURCKEDW-UHFFFAOYSA-N 1 0 239.279 0.214 20 5 BCBDRO C[N@H+](CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000281789151 388807982 /nfs/dbraw/zinc/80/79/82/388807982.db2.gz JRYMIUPQQJBXQO-UHFFFAOYSA-N 1 0 228.252 0.106 20 5 BCBDRO Cn1c(C(=O)NCCC[NH3+])ccc1[N+](=O)[O-] ZINC000051355053 134678351 /nfs/dbraw/zinc/67/83/51/134678351.db2.gz WKGOVPIHVMBAKZ-UHFFFAOYSA-N 1 0 226.236 0.012 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1C[NH2+]C1 ZINC000261888196 135259976 /nfs/dbraw/zinc/25/99/76/135259976.db2.gz BMNBFABVVZHLNQ-UHFFFAOYSA-N 1 0 249.270 0.852 20 5 BCBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347946481 136019495 /nfs/dbraw/zinc/01/94/95/136019495.db2.gz OLUOCRMAKPAMJW-UHFFFAOYSA-N 1 0 240.263 0.604 20 5 BCBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1 ZINC000110911232 397904460 /nfs/dbraw/zinc/90/44/60/397904460.db2.gz HMXKNAXIHNRPMY-JTQLQIEISA-N 1 0 249.270 0.963 20 5 BCBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CC[C@H]2C3)nc1 ZINC000599082771 398002319 /nfs/dbraw/zinc/00/23/19/398002319.db2.gz HLICTPCWRQOZLJ-QMMMGPOBSA-N 1 0 235.247 0.279 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2CO)c1 ZINC000174867928 398015605 /nfs/dbraw/zinc/01/56/05/398015605.db2.gz LUEJVRGUXMHUKH-VIFPVBQESA-N 1 0 240.263 0.248 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@H+](C)C1CC1 ZINC000058938165 411491411 /nfs/dbraw/zinc/49/14/11/411491411.db2.gz WPVFMWJMZYCYTJ-UHFFFAOYSA-N 1 0 239.279 0.834 20 5 BCBDRO Cc1nc(NCC[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000420154026 411775856 /nfs/dbraw/zinc/77/58/56/411775856.db2.gz HTGKDLUPBHRBLI-ZCFIWIBFSA-N 1 0 225.252 0.842 20 5 BCBDRO C[C@@H]([NH3+])CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000591437875 411820181 /nfs/dbraw/zinc/82/01/81/411820181.db2.gz PYKWLMONQQORNA-SSDOTTSWSA-N 1 0 247.258 1.297 20 5 BCBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ncc[nH]1 ZINC000590567700 411891590 /nfs/dbraw/zinc/89/15/90/411891590.db2.gz CAGUYUQEZCRAHJ-RXMQYKEDSA-N 1 0 249.234 0.863 20 5 BCBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000082578541 171484696 /nfs/dbraw/zinc/48/46/96/171484696.db2.gz PFYIGIDRAOFPEH-LURJTMIESA-N 1 0 226.236 0.390 20 5 BCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000364787168 172329955 /nfs/dbraw/zinc/32/99/55/172329955.db2.gz BDTRGRYVRJQGGC-OPRDCNLKSA-N 1 0 241.291 0.252 20 5 BCBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC([NH3+])C1 ZINC000294941152 172339952 /nfs/dbraw/zinc/33/99/52/172339952.db2.gz VHRACKZKAFHPHA-UHFFFAOYSA-N 1 0 238.247 0.485 20 5 BCBDRO C[NH2+]CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000054244213 173354199 /nfs/dbraw/zinc/35/41/99/173354199.db2.gz VAARSBPATBCHJR-QPJJXVBHSA-N 1 0 249.270 0.944 20 5 BCBDRO C[NH2+]CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147709 173355001 /nfs/dbraw/zinc/35/50/01/173355001.db2.gz MNEMUAPJOOSSBJ-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000054244379 173356359 /nfs/dbraw/zinc/35/63/59/173356359.db2.gz HNQJQFHSEVFNQZ-UHFFFAOYSA-N 1 0 223.232 0.544 20 5 BCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000237459547 175710401 /nfs/dbraw/zinc/71/04/01/175710401.db2.gz QNIUKKRTIDKLTB-LURJTMIESA-N 1 0 227.220 0.607 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000141929596 176661635 /nfs/dbraw/zinc/66/16/35/176661635.db2.gz UDYBBWVJLCSMJZ-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000082576913 176662140 /nfs/dbraw/zinc/66/21/40/176662140.db2.gz QQODLPJXDHZKSJ-RXMQYKEDSA-N 1 0 229.261 0.733 20 5 BCBDRO C[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079442 176988163 /nfs/dbraw/zinc/98/81/63/176988163.db2.gz WKBRBRIJZQBONU-VIFPVBQESA-N 1 0 240.259 0.944 20 5 BCBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH2+]1 ZINC000088059085 177227242 /nfs/dbraw/zinc/22/72/42/177227242.db2.gz ZWHQOSMCQBNHLL-ZETCQYMHSA-N 1 0 238.247 0.357 20 5 BCBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054369640 177283687 /nfs/dbraw/zinc/28/36/87/177283687.db2.gz BZLMLVLOFKJDHK-ZETCQYMHSA-N 1 0 238.247 0.357 20 5 BCBDRO Cc1nc(NC2C[NH2+]C2)ncc1[N+](=O)[O-] ZINC000562831454 323031925 /nfs/dbraw/zinc/03/19/25/323031925.db2.gz JJLSTOQTEHAEFE-UHFFFAOYSA-N 1 0 209.209 0.077 20 5 BCBDRO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548317991 325447776 /nfs/dbraw/zinc/44/77/76/325447776.db2.gz RXUULWJCKMZNNA-UHFFFAOYSA-N 1 0 238.247 0.281 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000074533121 490521871 /nfs/dbraw/zinc/52/18/71/490521871.db2.gz FOMRAUYPLNQBTN-ZETCQYMHSA-N 1 0 223.232 0.672 20 5 BCBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CC[C@H]2C3)cn1 ZINC000599083492 566270820 /nfs/dbraw/zinc/27/08/20/566270820.db2.gz NROFJRPGQWSNOL-JTQLQIEISA-N 1 0 234.259 0.884 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111302864 588741576 /nfs/dbraw/zinc/74/15/76/588741576.db2.gz VXQKBBFZXHIWGK-QMMMGPOBSA-N 1 0 237.259 0.601 20 5 BCBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854653095 588799408 /nfs/dbraw/zinc/79/94/08/588799408.db2.gz WMURLKNWHJGBTN-ZYUZMQFOSA-N 1 0 241.291 0.203 20 5 BCBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000855363963 588829312 /nfs/dbraw/zinc/82/93/12/588829312.db2.gz WXDSKCYZXAGAEL-IVZWLZJFSA-N 1 0 241.291 0.204 20 5 BCBDRO CC[NH+](CC)CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673298 583422861 /nfs/dbraw/zinc/42/28/61/583422861.db2.gz JOEJEGCWEDKGRP-RKDXNWHRSA-N 1 0 230.264 0.537 20 5 BCBDRO CC[N@@H+]1CC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000895161643 583610296 /nfs/dbraw/zinc/61/02/96/583610296.db2.gz SOXKXRLFXWGGOT-MRVPVSSYSA-N 1 0 239.279 0.834 20 5 BCBDRO CC[NH+](CC)CCCNCC[N+](=O)[O-] ZINC000899859619 584242799 /nfs/dbraw/zinc/24/27/99/584242799.db2.gz LKHITGYXQFQHKV-UHFFFAOYSA-N 1 0 203.286 0.585 20 5 BCBDRO COc1ccc([C@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899869318 584243987 /nfs/dbraw/zinc/24/39/87/584243987.db2.gz CKPCFCQVGNSYCV-LLVKDONJSA-N 1 0 240.259 0.595 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000899871835 584244315 /nfs/dbraw/zinc/24/43/15/584244315.db2.gz WRBGMBUSYKOFPW-SNVBAGLBSA-N 1 0 222.244 0.856 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCOCC1CC1 ZINC000899864816 584245029 /nfs/dbraw/zinc/24/50/29/584245029.db2.gz BGTYGFZKZDWUPW-UHFFFAOYSA-N 1 0 202.254 0.669 20 5 BCBDRO C[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644942 585204913 /nfs/dbraw/zinc/20/49/13/585204913.db2.gz FYFRKUWEWHEMOB-KWQFWETISA-N 1 0 240.259 0.599 20 5 BCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000839624785 585332766 /nfs/dbraw/zinc/33/27/66/585332766.db2.gz HBIDNZWGLWJDKB-NXEZZACHSA-N 1 0 243.307 0.498 20 5 BCBDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839692790 585335755 /nfs/dbraw/zinc/33/57/55/585335755.db2.gz XDARFAQTKUOQBY-DJLDLDEBSA-N 1 0 229.280 0.108 20 5 BCBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839719514 585338267 /nfs/dbraw/zinc/33/82/67/585338267.db2.gz ZLAMEPMKNZQWIZ-SGIHWFKDSA-N 1 0 241.291 0.203 20 5 BCBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839716603 585338283 /nfs/dbraw/zinc/33/82/83/585338283.db2.gz DSYBCTMFIBORIN-SGIHWFKDSA-N 1 0 241.291 0.203 20 5 BCBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839719513 585338466 /nfs/dbraw/zinc/33/84/66/585338466.db2.gz ZLAMEPMKNZQWIZ-AXTSPUMRSA-N 1 0 241.291 0.203 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761101490 585409612 /nfs/dbraw/zinc/40/96/12/585409612.db2.gz YRGNZZCBDJCIAD-BDAKNGLRSA-N 1 0 222.248 0.886 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)C2CC2)n1 ZINC000771807748 585600691 /nfs/dbraw/zinc/60/06/91/585600691.db2.gz LPCJMCIIRIQCIM-SECBINFHSA-N 1 0 240.263 0.152 20 5 BCBDRO C[C@@H](CCO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000779411339 585753955 /nfs/dbraw/zinc/75/39/55/585753955.db2.gz CZKTYCDTEAVJBS-QMMMGPOBSA-N 1 0 228.252 0.152 20 5 BCBDRO CCC1(CO)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791053859 585973202 /nfs/dbraw/zinc/97/32/02/585973202.db2.gz IHKKQWUIXYRVRQ-UHFFFAOYSA-N 1 0 216.281 0.748 20 5 BCBDRO O=[N+]([O-])CC[N@@H+](CCO)C1CCCCC1 ZINC000791054634 585973419 /nfs/dbraw/zinc/97/34/19/585973419.db2.gz MSYYIWBWLHTQGA-UHFFFAOYSA-N 1 0 216.281 0.890 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1CCO ZINC000798195444 586139767 /nfs/dbraw/zinc/13/97/67/586139767.db2.gz NNORNQFBSRQLAO-SECBINFHSA-N 1 0 202.254 0.500 20 5 BCBDRO C[C@@H](NCC[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817936050 586843987 /nfs/dbraw/zinc/84/39/87/586843987.db2.gz MOSHVXQSISQSGC-SSDOTTSWSA-N 1 0 224.264 0.786 20 5 BCBDRO O=c1c(F)cc([N+](=O)[O-])cn1CC1C[NH2+]C1 ZINC000830418496 587550840 /nfs/dbraw/zinc/55/08/40/587550840.db2.gz GFCYUQSTZZQRHU-UHFFFAOYSA-N 1 0 227.195 0.115 20 5 BCBDRO Cn1cc(C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])n1 ZINC000878419885 590564007 /nfs/dbraw/zinc/56/40/07/590564007.db2.gz JZSHGLKXFVTRMO-VIFPVBQESA-N 1 0 240.263 0.189 20 5 BCBDRO C[C@@H]([NH3+])CN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000883438025 591666846 /nfs/dbraw/zinc/66/68/46/591666846.db2.gz IQTZDIAPPCZHGI-SSDOTTSWSA-N 1 0 227.268 0.107 20 5 BCBDRO C[C@H]([NH3+])CN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000883438026 591667670 /nfs/dbraw/zinc/66/76/70/591667670.db2.gz IQTZDIAPPCZHGI-ZETCQYMHSA-N 1 0 227.268 0.107 20 5 BCBDRO C[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134755768 591949354 /nfs/dbraw/zinc/94/93/54/591949354.db2.gz JYDGTTIKGXBNHP-GZMMTYOYSA-N 1 0 240.259 0.599 20 5 BCBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])nc1 ZINC000884824800 592022751 /nfs/dbraw/zinc/02/27/51/592022751.db2.gz OPQKQWAZMZOLAE-UHFFFAOYSA-N 1 0 240.263 0.326 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1CCC[NH2+]CC1 ZINC000886826995 592349807 /nfs/dbraw/zinc/34/98/07/592349807.db2.gz BGVKYXPBKBZGHG-UHFFFAOYSA-N 1 0 236.275 0.785 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933369038 631331025 /nfs/dbraw/zinc/33/10/25/631331025.db2.gz IBSGBOKSQPRDMN-VIFPVBQESA-N 1 0 214.265 0.954 20 5 BCBDRO C[NH+]1CCC2(CC1)CN(CC[N+](=O)[O-])CCO2 ZINC000930823241 634118778 /nfs/dbraw/zinc/11/87/78/634118778.db2.gz GJMXCBAXPMFMLS-UHFFFAOYSA-N 1 0 243.307 0.060 20 5 BCBDRO CCC[N@H+](C)CC(C)(C)NCC[N+](=O)[O-] ZINC000931068552 634209195 /nfs/dbraw/zinc/20/91/95/634209195.db2.gz GNOAWLAIQOPEKG-UHFFFAOYSA-N 1 0 217.313 0.973 20 5 BCBDRO COC(=O)CC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931620311 635127748 /nfs/dbraw/zinc/12/77/48/635127748.db2.gz QEMJEHBVJSOBQO-JTQLQIEISA-N 1 0 244.291 0.928 20 5 BCBDRO O=[N+]([O-])CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000791054293 635763477 /nfs/dbraw/zinc/76/34/77/635763477.db2.gz ZHNBMWXCKKSCQD-SNVBAGLBSA-N 1 0 213.281 0.433 20 5 BCBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]CC[N+](=O)[O-])C2 ZINC000905040277 637559213 /nfs/dbraw/zinc/55/92/13/637559213.db2.gz LYIZBIYLLBSNKF-SNVBAGLBSA-N 1 0 236.275 0.509 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1COc2ccccc2C1 ZINC000905046829 637564507 /nfs/dbraw/zinc/56/45/07/637564507.db2.gz CBROOFGVXDFDNJ-SNVBAGLBSA-N 1 0 222.244 0.856 20 5 BCBDRO C[C@H](CNCC[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000905049748 637567099 /nfs/dbraw/zinc/56/70/99/637567099.db2.gz PXIDYPXRBJSSKC-GHMZBOCLSA-N 1 0 229.324 0.973 20 5 BCBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Cn1cccn1 ZINC000905050889 637568134 /nfs/dbraw/zinc/56/81/34/637568134.db2.gz RMGSRTZWURODTC-VIFPVBQESA-N 1 0 212.253 0.386 20 5 BCBDRO CC(C)CCOCC[NH2+]CC[N+](=O)[O-] ZINC000905065628 637598894 /nfs/dbraw/zinc/59/88/94/637598894.db2.gz JBJHYLCCYIJFHN-UHFFFAOYSA-N 1 0 204.270 0.915 20 5 BCBDRO CC[NH+](CC)C[C@@H](C)NCC[N+](=O)[O-] ZINC000905109747 637618096 /nfs/dbraw/zinc/61/80/96/637618096.db2.gz GDWDTANIECBPPQ-SECBINFHSA-N 1 0 203.286 0.583 20 5 BCBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905153482 637636863 /nfs/dbraw/zinc/63/68/63/637636863.db2.gz FMSAUELFMIYQHK-PUTJDCORSA-N 1 0 248.348 0.933 20 5 BCBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]CC[N+](=O)[O-] ZINC000905158098 637640038 /nfs/dbraw/zinc/64/00/38/637640038.db2.gz DLOMRUSIVWNYAP-RKDXNWHRSA-N 1 0 218.253 0.047 20 5 BCBDRO C[C@@H]1C[C@H](NCC[N+](=O)[O-])CC[N@@H+]1C ZINC000905141002 637648374 /nfs/dbraw/zinc/64/83/74/637648374.db2.gz XEAVINMZPHWFQC-RKDXNWHRSA-N 1 0 201.270 0.335 20 5 BCBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CC[N+](=O)[O-] ZINC000905168555 637679504 /nfs/dbraw/zinc/67/95/04/637679504.db2.gz MFPPCZLDNZDFTG-BDAKNGLRSA-N 1 0 202.254 0.668 20 5 BCBDRO Cc1cnccc1CC[NH2+]CC[N+](=O)[O-] ZINC000905188222 637669061 /nfs/dbraw/zinc/66/90/61/637669061.db2.gz QCYYDOONINUQCK-UHFFFAOYSA-N 1 0 209.249 0.799 20 5 BCBDRO CCOC(=O)C[C@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905186420 637669491 /nfs/dbraw/zinc/66/94/91/637669491.db2.gz AVXXNXVMKILCQW-QMMMGPOBSA-N 1 0 218.253 0.442 20 5 BCBDRO C[C@H]1C[C@@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905196165 637673207 /nfs/dbraw/zinc/67/32/07/637673207.db2.gz QRVMCOXTAOSITK-IUCAKERBSA-N 1 0 202.254 0.668 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000905176106 637684456 /nfs/dbraw/zinc/68/44/56/637684456.db2.gz KQOUPPNXBRZOBN-NXEZZACHSA-N 1 0 246.332 0.907 20 5 BCBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])[C@@]12CCCO2 ZINC000905211296 637697383 /nfs/dbraw/zinc/69/73/83/637697383.db2.gz CEZSTSDNQLNBFT-AXFHLTTASA-N 1 0 244.291 0.579 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000905264549 637717526 /nfs/dbraw/zinc/71/75/26/637717526.db2.gz TUVHZBIPAGPAND-ZETCQYMHSA-N 1 0 210.237 0.133 20 5 BCBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]CC[N+](=O)[O-] ZINC000905281399 637734454 /nfs/dbraw/zinc/73/44/54/637734454.db2.gz UNMAGIJHXXOHBR-QMMMGPOBSA-N 1 0 212.253 0.217 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC1(CF)CCOCC1 ZINC000905280142 637734874 /nfs/dbraw/zinc/73/48/74/637734874.db2.gz PAGHEWYHDFXKDE-UHFFFAOYSA-N 1 0 220.244 0.619 20 5 BCBDRO C[C@@H]1C[C@@H](C[NH2+]CC[N+](=O)[O-])[C@@H](C)O1 ZINC000905286732 637739554 /nfs/dbraw/zinc/73/95/54/637739554.db2.gz RLEBIDPLOWLCDT-HLTSFMKQSA-N 1 0 202.254 0.666 20 5 BCBDRO CC[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905287977 637740032 /nfs/dbraw/zinc/74/00/32/637740032.db2.gz KCQMRJUMEDDEAW-RKDXNWHRSA-N 1 0 202.254 0.810 20 5 BCBDRO CCCN1C[C@H](C[NH2+]CC[N+](=O)[O-])CC1=O ZINC000905289043 637740168 /nfs/dbraw/zinc/74/01/68/637740168.db2.gz QBPZDPGLFJSGGB-VIFPVBQESA-N 1 0 229.280 0.111 20 5 BCBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905345090 637767702 /nfs/dbraw/zinc/76/77/02/637767702.db2.gz LFUPJXZBIPTYDA-KOLCDFICSA-N 1 0 224.260 0.975 20 5 BCBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905345092 637767774 /nfs/dbraw/zinc/76/77/74/637767774.db2.gz LFUPJXZBIPTYDA-ONGXEEELSA-N 1 0 224.260 0.975 20 5 BCBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905358830 637776781 /nfs/dbraw/zinc/77/67/81/637776781.db2.gz QUPDIUNWGDLYDG-BDAKNGLRSA-N 1 0 204.270 0.650 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@H](O)c1ccccc1 ZINC000905363597 637788326 /nfs/dbraw/zinc/78/83/26/637788326.db2.gz ZBZFRXUJLWHECT-NSHDSACASA-N 1 0 224.260 0.976 20 5 BCBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905368015 637789463 /nfs/dbraw/zinc/78/94/63/637789463.db2.gz XMXUNDWNMUXDCU-IUCAKERBSA-N 1 0 234.296 0.011 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC1CCC(O)CC1 ZINC000905373936 637791666 /nfs/dbraw/zinc/79/16/66/637791666.db2.gz SMGKFTGYHYWNCK-UHFFFAOYSA-N 1 0 202.254 0.404 20 5 BCBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)C(C)C ZINC000905375727 637793608 /nfs/dbraw/zinc/79/36/08/637793608.db2.gz ZJEDEFRKYZDTNW-BDAKNGLRSA-N 1 0 204.270 0.648 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@@H](O)C1CCCC1 ZINC000905408523 637799237 /nfs/dbraw/zinc/79/92/37/637799237.db2.gz OLYJAVWDOAUPGM-SNVBAGLBSA-N 1 0 216.281 0.794 20 5 BCBDRO CC1(C)CO[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905410103 637800425 /nfs/dbraw/zinc/80/04/25/637800425.db2.gz YNFYZAMDRFPZMN-QMMMGPOBSA-N 1 0 202.254 0.668 20 5 BCBDRO COc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1O ZINC000905416265 637802767 /nfs/dbraw/zinc/80/27/67/637802767.db2.gz ZUAQDHMLSDZCNQ-UHFFFAOYSA-N 1 0 240.259 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000905455614 637822151 /nfs/dbraw/zinc/82/21/51/637822151.db2.gz ZUSCRQVBLWRBLF-MRVPVSSYSA-N 1 0 200.238 0.564 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000905516795 637841802 /nfs/dbraw/zinc/84/18/02/637841802.db2.gz NRVPOOXNPGNIMT-NKWVEPMBSA-N 1 0 242.197 0.963 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000905516797 637842618 /nfs/dbraw/zinc/84/26/18/637842618.db2.gz NRVPOOXNPGNIMT-RNFRBKRXSA-N 1 0 242.197 0.963 20 5 BCBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000905731663 637900529 /nfs/dbraw/zinc/90/05/29/637900529.db2.gz PAFPEUGLYAUNTD-BDAKNGLRSA-N 1 0 237.259 0.612 20 5 BCBDRO [NH3+][C@@H]1CC[C@H](Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000905734744 637902378 /nfs/dbraw/zinc/90/23/78/637902378.db2.gz QOOQKALQWQNPIP-DTWKUNHWSA-N 1 0 237.259 0.884 20 5 BCBDRO C[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971886 637986768 /nfs/dbraw/zinc/98/67/68/637986768.db2.gz DNEGIIJBUOQSEN-WCBMZHEXSA-N 1 0 240.263 0.246 20 5 BCBDRO COC1(C)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930234327 639642287 /nfs/dbraw/zinc/64/22/87/639642287.db2.gz MFOKKVQFFZZTOL-UHFFFAOYSA-N 1 0 202.254 0.764 20 5 BCBDRO C[C@H]1OCC[C@]12CN(CC[N+](=O)[O-])C[C@@H](C)O2 ZINC000930268761 639672603 /nfs/dbraw/zinc/67/26/03/639672603.db2.gz RDHRIMQMVKECOT-MXWKQRLJSA-N 1 0 244.291 0.531 20 5 BCBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])CC1(C)C ZINC000930312770 639697752 /nfs/dbraw/zinc/69/77/52/639697752.db2.gz QXHKOTYYUBRVIT-UHFFFAOYSA-N 1 0 201.270 0.289 20 5 BCBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000930452118 639756093 /nfs/dbraw/zinc/75/60/93/639756093.db2.gz JZBBFSCKRFJXSR-AJBSGBCOSA-N 1 0 226.276 0.618 20 5 BCBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC[N+](=O)[O-] ZINC000930454635 639759225 /nfs/dbraw/zinc/75/92/25/639759225.db2.gz HQCKIGDUZLELFM-MNOVXSKESA-N 1 0 243.307 0.058 20 5 BCBDRO CCC[C@@]1(CO)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930503805 639776774 /nfs/dbraw/zinc/77/67/74/639776774.db2.gz FSNBKVMZEATHRJ-SNVBAGLBSA-N 1 0 216.281 0.748 20 5 BCBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930607008 639818429 /nfs/dbraw/zinc/81/84/29/639818429.db2.gz LCKJMBZTUMVLRM-RKDXNWHRSA-N 1 0 202.254 0.356 20 5 BCBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930607005 639818557 /nfs/dbraw/zinc/81/85/57/639818557.db2.gz LCKJMBZTUMVLRM-BDAKNGLRSA-N 1 0 202.254 0.356 20 5 BCBDRO CC1(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000930626955 639830269 /nfs/dbraw/zinc/83/02/69/639830269.db2.gz NQTULKJBSWFGDV-DJLDLDEBSA-N 1 0 214.265 0.666 20 5 BCBDRO CC1(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000930626958 639830512 /nfs/dbraw/zinc/83/05/12/639830512.db2.gz NQTULKJBSWFGDV-YIZRAAEISA-N 1 0 214.265 0.666 20 5 BCBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930740854 639889388 /nfs/dbraw/zinc/88/93/88/639889388.db2.gz WSYCKJYQTNRIQP-BDAKNGLRSA-N 1 0 202.254 0.356 20 5 BCBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930740856 639890954 /nfs/dbraw/zinc/89/09/54/639890954.db2.gz WSYCKJYQTNRIQP-IUCAKERBSA-N 1 0 202.254 0.356 20 5 BCBDRO COCC[N@H+]1[C@H](C)CN(CC[N+](=O)[O-])C[C@@H]1C ZINC000930817429 639908568 /nfs/dbraw/zinc/90/85/68/639908568.db2.gz IKAOPVLWVPRJHP-PHIMTYICSA-N 1 0 245.323 0.304 20 5 BCBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000930908534 639980957 /nfs/dbraw/zinc/98/09/57/639980957.db2.gz ZEJANYRSWAXOIT-IWSPIJDZSA-N 1 0 229.280 0.237 20 5 BCBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H](C)O1 ZINC000931021521 640025639 /nfs/dbraw/zinc/02/56/39/640025639.db2.gz LQDHQVLAFUAEPW-BDAKNGLRSA-N 1 0 202.254 0.762 20 5 BCBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC[N+](=O)[O-] ZINC000931037690 640034419 /nfs/dbraw/zinc/03/44/19/640034419.db2.gz IUVQKYZZQVUYLF-IUCAKERBSA-N 1 0 201.270 0.288 20 5 BCBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1CO ZINC000931102858 640067358 /nfs/dbraw/zinc/06/73/58/640067358.db2.gz HYVOYOZXLHPZPA-BDAKNGLRSA-N 1 0 202.254 0.213 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000931746477 640345993 /nfs/dbraw/zinc/34/59/93/640345993.db2.gz JSFOUJQGDHCYRR-OCAPTIKFSA-N 1 0 202.279 0.558 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000931750983 640348797 /nfs/dbraw/zinc/34/87/97/640348797.db2.gz AUBNVOASWULQAK-VHSXEESVSA-N 1 0 214.265 0.764 20 5 BCBDRO CC[N@H+](CC[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000929417871 641259702 /nfs/dbraw/zinc/25/97/02/641259702.db2.gz VVKYRRHWRCOJTG-VIFPVBQESA-N 1 0 202.254 0.764 20 5 BCBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cn1 ZINC000031576232 641649378 /nfs/dbraw/zinc/64/93/78/641649378.db2.gz FWZBZHYXNVOBDZ-SECBINFHSA-N 1 0 240.263 0.324 20 5 BCBDRO C[N@@H+]1CC[C@@H](Cn2ccnc2[N+](=O)[O-])C1 ZINC000918377921 642192570 /nfs/dbraw/zinc/19/25/70/642192570.db2.gz NLGVLGRWDOCPFQ-MRVPVSSYSA-N 1 0 210.237 0.743 20 5 BCBDRO CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020140499 643060088 /nfs/dbraw/zinc/06/00/88/643060088.db2.gz KZTVFOBBBJJVTM-ZYUZMQFOSA-N 1 0 241.291 0.297 20 5 BCBDRO C[C@H]([NH2+]C[C@H](O)CO)c1ccccc1[N+](=O)[O-] ZINC000090281897 643126870 /nfs/dbraw/zinc/12/68/70/643126870.db2.gz HBNNCOUBWLLUMN-IUCAKERBSA-N 1 0 240.259 0.599 20 5 BCBDRO CCCNC(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929420682 646115929 /nfs/dbraw/zinc/11/59/29/646115929.db2.gz RMKRSNSOALXIFF-JTQLQIEISA-N 1 0 243.307 0.501 20 5 BCBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929475545 646135103 /nfs/dbraw/zinc/13/51/03/646135103.db2.gz ZBKXTZIAQCQFQB-SECBINFHSA-N 1 0 230.264 0.681 20 5 BCBDRO CC[N@@H+]1CCCN(CC[N+](=O)[O-])CC1 ZINC000929483159 646140183 /nfs/dbraw/zinc/14/01/83/646140183.db2.gz YEOVZBPXIJWIMM-UHFFFAOYSA-N 1 0 201.270 0.291 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000929527206 646173870 /nfs/dbraw/zinc/17/38/70/646173870.db2.gz HNIBWVUTBISMSM-SNVBAGLBSA-N 1 0 224.264 0.797 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(CCO)CC1 ZINC000929592911 646188205 /nfs/dbraw/zinc/18/82/05/646188205.db2.gz ITMUKHWGGALWIA-UHFFFAOYSA-N 1 0 202.254 0.358 20 5 BCBDRO C[N@H+](CCCO)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929657482 646227799 /nfs/dbraw/zinc/22/77/99/646227799.db2.gz OILBGLAULTUIKX-UHFFFAOYSA-N 1 0 245.323 0.042 20 5 BCBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929764566 646297819 /nfs/dbraw/zinc/29/78/19/646297819.db2.gz WYAHWSDGIBJNCL-LBPRGKRZSA-N 1 0 241.335 0.927 20 5 BCBDRO C[C@@H]1C[C@@H](N(C)CC[N+](=O)[O-])CC[N@@H+]1C ZINC000929783050 646311307 /nfs/dbraw/zinc/31/13/07/646311307.db2.gz PLKHTNJCRIRBLH-ZJUUUORDSA-N 1 0 215.297 0.678 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000929822519 646338101 /nfs/dbraw/zinc/33/81/01/646338101.db2.gz DPLFLDAJAOHVKT-UWVGGRQHSA-N 1 0 214.265 0.764 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000929822523 646339551 /nfs/dbraw/zinc/33/95/51/646339551.db2.gz DPLFLDAJAOHVKT-VHSXEESVSA-N 1 0 214.265 0.764 20 5 BCBDRO C[N@@H+]1CCC[C@@H]2CN(CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842404 646352399 /nfs/dbraw/zinc/35/23/99/646352399.db2.gz CUCXHSCTFPDBFI-MNOVXSKESA-N 1 0 227.308 0.679 20 5 BCBDRO COC(=O)C[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930057211 646415358 /nfs/dbraw/zinc/41/53/58/646415358.db2.gz BHRSQWYAKGHXHD-MRVPVSSYSA-N 1 0 216.237 0.291 20 5 BCBDRO CC[N@@H+]1CCN(CC[N+](=O)[O-])C[C@H]1C ZINC000930084979 646426751 /nfs/dbraw/zinc/42/67/51/646426751.db2.gz FNNKVOYCVKMXLV-SECBINFHSA-N 1 0 201.270 0.289 20 5 BCBDRO Cn1ccnc1[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930093836 646431203 /nfs/dbraw/zinc/43/12/03/646431203.db2.gz NEFWSJPAYIALJM-SECBINFHSA-N 1 0 224.264 0.486 20 5 BCBDRO COCCCOCCN(C)CC[N+](=O)[O-] ZINC000930178837 646480594 /nfs/dbraw/zinc/48/05/94/646480594.db2.gz CIRHGZSUYGFQIE-UHFFFAOYSA-N 1 0 220.269 0.248 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000159759757 711804653 /nfs/dbraw/zinc/80/46/53/711804653.db2.gz UDYBBWVJLCSMJZ-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO CC[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000712595515 712436015 /nfs/dbraw/zinc/43/60/15/712436015.db2.gz QQNLMBDPXOLMAY-MRVPVSSYSA-N 1 0 237.263 0.891 20 5 BCBDRO CC[N@@H+]1CC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000712595717 712436254 /nfs/dbraw/zinc/43/62/54/712436254.db2.gz RYKXFYOSXPSLRQ-MRVPVSSYSA-N 1 0 239.279 0.834 20 5 BCBDRO Cc1nn(C)c(NC[C@H]2CCN2C)c1[N+](=O)[O-] ZINC000712613969 712437848 /nfs/dbraw/zinc/43/78/48/712437848.db2.gz JCYDKLWFKUZAPZ-MRVPVSSYSA-N 1 0 239.279 0.753 20 5 BCBDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000717391500 712653848 /nfs/dbraw/zinc/65/38/48/712653848.db2.gz BAPPIFFPHYFFPM-KCJUWKMLSA-N 1 0 240.259 0.426 20 5 BCBDRO C[C@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000719570497 712810854 /nfs/dbraw/zinc/81/08/54/712810854.db2.gz DVMUNSCKSHJNJS-YUMQZZPRSA-N 1 0 239.279 0.833 20 5 BCBDRO Cc1cc(N2CC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000086003026 136211804 /nfs/dbraw/zinc/21/18/04/136211804.db2.gz JUBJHNWUUHGYCX-MRVPVSSYSA-N 1 0 222.248 0.836 20 5 BCBDRO C[NH2+][C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000576288810 365553762 /nfs/dbraw/zinc/55/37/62/365553762.db2.gz FUVUGZPMEQWLQT-SECBINFHSA-N 1 0 249.226 0.446 20 5 BCBDRO Cc1cc([N+](=O)[O-])cn(CC[NH+](C)C)c1=O ZINC000096778469 178274042 /nfs/dbraw/zinc/27/40/42/178274042.db2.gz YBUCDTOXGOERGD-UHFFFAOYSA-N 1 0 225.248 0.627 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[NH3+] ZINC000054417275 178271692 /nfs/dbraw/zinc/27/16/92/178271692.db2.gz AUEMIHLLGBBFRZ-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO O=[N+]([O-])c1cnn(CC2CC[NH2+]CC2)c1 ZINC000043497887 343091295 /nfs/dbraw/zinc/09/12/95/343091295.db2.gz PZSRSKWTUJHJAZ-UHFFFAOYSA-N 1 0 210.237 0.791 20 5 BCBDRO C[NH2+]C[C@@H](C)CNc1ncc([N+](=O)[O-])cn1 ZINC000168357055 136267909 /nfs/dbraw/zinc/26/79/09/136267909.db2.gz OXWFXSSJPUBYQY-SSDOTTSWSA-N 1 0 225.252 0.652 20 5 BCBDRO O=[N+]([O-])c1cnccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000112335765 343128836 /nfs/dbraw/zinc/12/88/36/343128836.db2.gz VVIQMWDMPWDXGF-IUCAKERBSA-N 1 0 234.259 0.645 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ncc[nH]1 ZINC000070991684 343582766 /nfs/dbraw/zinc/58/27/66/343582766.db2.gz PHJVSBUKSYJDJR-UHFFFAOYSA-N 1 0 249.230 0.586 20 5 BCBDRO C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174807271 529772600 /nfs/dbraw/zinc/77/26/00/529772600.db2.gz HULNWZOGXZHNHV-UHFFFAOYSA-N 1 0 239.279 0.039 20 5 BCBDRO C[C@@](O)(CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000090284701 344268003 /nfs/dbraw/zinc/26/80/03/344268003.db2.gz HLFMWOJSMIMIRO-NSHDSACASA-N 1 0 240.259 0.428 20 5 BCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000381681270 344534871 /nfs/dbraw/zinc/53/48/71/344534871.db2.gz DCTCEEGIAKRAIC-RITPCOANSA-N 1 0 226.236 0.388 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000082574362 345437999 /nfs/dbraw/zinc/43/79/99/345437999.db2.gz DGAFRAYKLJZBNM-SSDOTTSWSA-N 1 0 223.232 0.672 20 5 BCBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000209504902 345736340 /nfs/dbraw/zinc/73/63/40/345736340.db2.gz KVABYYWKEPZDTF-SCZZXKLOSA-N 1 0 234.259 0.788 20 5 BCBDRO C[C@H]1C[C@@H]([NH3+])CN1CCn1cc([N+](=O)[O-])cn1 ZINC000601329073 345774842 /nfs/dbraw/zinc/77/48/42/345774842.db2.gz DRLAAOQNQGJCCO-DTWKUNHWSA-N 1 0 239.279 0.213 20 5 BCBDRO NC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000052020228 346234399 /nfs/dbraw/zinc/23/43/99/346234399.db2.gz PHGDPRRGKJDCKD-UHFFFAOYSA-N 1 0 208.221 0.620 20 5 BCBDRO Cc1cccc(C(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000019394627 179009280 /nfs/dbraw/zinc/00/92/80/179009280.db2.gz ZVDKJPVAMLGXFU-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO COC[C@@H](C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000188132689 346790796 /nfs/dbraw/zinc/79/07/96/346790796.db2.gz KLPCJLUBURSMKK-VIFPVBQESA-N 1 0 242.279 0.663 20 5 BCBDRO Cc1cc([N+](=O)[O-])cn(C[C@H]2CC[NH2+]C2)c1=O ZINC000592159107 347746067 /nfs/dbraw/zinc/74/60/67/347746067.db2.gz BSWGJXHCPYIXML-VIFPVBQESA-N 1 0 237.259 0.674 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592546848 347799110 /nfs/dbraw/zinc/79/91/10/347799110.db2.gz DNHOCNCAZXIEKK-LURJTMIESA-N 1 0 238.247 0.254 20 5 BCBDRO O=[N+]([O-])c1ncccc1OC[C@@H]1C[NH2+]CCO1 ZINC000594699508 348101622 /nfs/dbraw/zinc/10/16/22/348101622.db2.gz XFVNWHVLIFTPPP-QMMMGPOBSA-N 1 0 239.231 0.357 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000595981860 348416892 /nfs/dbraw/zinc/41/68/92/348416892.db2.gz GCMSHGBXIXGTIY-ZCFIWIBFSA-N 1 0 243.288 0.994 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000595984962 348419006 /nfs/dbraw/zinc/41/90/06/348419006.db2.gz YZGUSKXJKKHGAL-ZETCQYMHSA-N 1 0 240.263 0.271 20 5 BCBDRO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[NH2+]1 ZINC000596016976 348431192 /nfs/dbraw/zinc/43/11/92/348431192.db2.gz XLXCJHIWRUCEIL-SSDOTTSWSA-N 1 0 237.263 0.370 20 5 BCBDRO C[NH+](C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596054949 348434057 /nfs/dbraw/zinc/43/40/57/348434057.db2.gz BNWXTCPWGXTCGC-UHFFFAOYSA-N 1 0 226.236 0.669 20 5 BCBDRO C[NH+](C)C[C@@H](CO)Nc1sccc1[N+](=O)[O-] ZINC000596244964 348485865 /nfs/dbraw/zinc/48/58/65/348485865.db2.gz SUTFKTHVZJFHNF-ZETCQYMHSA-N 1 0 245.304 0.991 20 5 BCBDRO C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000596248351 348472646 /nfs/dbraw/zinc/47/26/46/348472646.db2.gz WEQVVAYZRHTYRW-UHFFFAOYSA-N 1 0 237.263 0.383 20 5 BCBDRO CN(CC1C[NH+](C)C1)c1ncccc1[N+](=O)[O-] ZINC000596452144 348551842 /nfs/dbraw/zinc/55/18/42/348551842.db2.gz DQUZMTPOAGYRNQ-UHFFFAOYSA-N 1 0 236.275 0.988 20 5 BCBDRO O=[N+]([O-])c1ncccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000159346038 350046811 /nfs/dbraw/zinc/04/68/11/350046811.db2.gz RIWVFOQTSCZPSV-RKDXNWHRSA-N 1 0 234.259 0.645 20 5 BCBDRO COc1ccc(CNC(N)=[NH2+])cc1[N+](=O)[O-] ZINC000341533226 188045226 /nfs/dbraw/zinc/04/52/26/188045226.db2.gz VVZXATQPRZRTNG-UHFFFAOYSA-N 1 0 224.220 0.586 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC000383658403 354803433 /nfs/dbraw/zinc/80/34/33/354803433.db2.gz ISNQAVAANRTYCK-UHFFFAOYSA-N 1 0 240.263 0.402 20 5 BCBDRO Cc1nc(N[C@H](C)CC[NH3+])ncc1[N+](=O)[O-] ZINC000420228311 192180020 /nfs/dbraw/zinc/18/00/20/192180020.db2.gz QOXSALDLZJQLPH-ZCFIWIBFSA-N 1 0 225.252 0.842 20 5 BCBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)NC1CC1 ZINC000035142601 355851880 /nfs/dbraw/zinc/85/18/80/355851880.db2.gz RNPZUZAVGGLBHD-UHFFFAOYSA-N 1 0 249.270 0.963 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1F ZINC000420217074 192192559 /nfs/dbraw/zinc/19/25/59/192192559.db2.gz IAFLONIUYZXXNM-SSDOTTSWSA-N 1 0 240.238 0.927 20 5 BCBDRO CN(c1ncc([N+](=O)[O-])cc1F)C1C[NH2+]C1 ZINC000420255616 192188342 /nfs/dbraw/zinc/18/83/42/192188342.db2.gz HWKWEDZOTQJXIJ-UHFFFAOYSA-N 1 0 226.211 0.537 20 5 BCBDRO CN(CC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000420390286 192236851 /nfs/dbraw/zinc/23/68/51/192236851.db2.gz ZGXLGBZJXKOZME-UHFFFAOYSA-N 1 0 239.275 0.864 20 5 BCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]1 ZINC000384790297 356750757 /nfs/dbraw/zinc/75/07/57/356750757.db2.gz SPBSUKQLBKEPHG-SECBINFHSA-N 1 0 235.243 0.573 20 5 BCBDRO C[N@H+]1C[C@H]2CN(c3cccnc3[N+](=O)[O-])C[C@H]2C1 ZINC000618686179 357234100 /nfs/dbraw/zinc/23/41/00/357234100.db2.gz RONAAAWWUIGFHU-AOOOYVTPSA-N 1 0 248.286 0.988 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[NH2+]CC1 ZINC000430609698 192882433 /nfs/dbraw/zinc/88/24/33/192882433.db2.gz ILJNMYKXYLCYQO-UHFFFAOYSA-N 1 0 239.279 0.124 20 5 BCBDRO Cc1n[nH]c(C(=O)NC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000428924026 201048945 /nfs/dbraw/zinc/04/89/45/201048945.db2.gz SAJMWYSCZTWDFQ-UHFFFAOYSA-N 1 0 241.251 0.093 20 5 BCBDRO [NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000036753383 181343144 /nfs/dbraw/zinc/34/31/44/181343144.db2.gz UBFVEZJJIDALML-UHFFFAOYSA-N 1 0 238.247 0.486 20 5 BCBDRO [NH3+]CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262466849 181350509 /nfs/dbraw/zinc/35/05/09/181350509.db2.gz MIZNYUYYPZCFGY-UHFFFAOYSA-N 1 0 221.216 0.443 20 5 BCBDRO O=C1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000079926223 370704760 /nfs/dbraw/zinc/70/47/60/370704760.db2.gz ZGIJSIUICGAIPC-JTQLQIEISA-N 1 0 249.270 0.963 20 5 BCBDRO [NH3+]CCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668494 181372536 /nfs/dbraw/zinc/37/25/36/181372536.db2.gz PLVZWGQZTNEXKK-UHFFFAOYSA-N 1 0 237.259 0.950 20 5 BCBDRO [NH3+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000051355025 181381548 /nfs/dbraw/zinc/38/15/48/181381548.db2.gz PXPXNDZYSOXMBS-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO [NH3+]CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000051354957 181381853 /nfs/dbraw/zinc/38/18/53/181381853.db2.gz CUZGIBJDTRDJFA-UHFFFAOYSA-N 1 0 229.261 0.735 20 5 BCBDRO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043570470 181381897 /nfs/dbraw/zinc/38/18/97/181381897.db2.gz GKZAUPNARHHJIC-UHFFFAOYSA-N 1 0 241.222 0.813 20 5 BCBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](C)O ZINC000574565839 365090845 /nfs/dbraw/zinc/09/08/45/365090845.db2.gz FCAKDVJRSWRICQ-SFYZADRCSA-N 1 0 228.252 0.150 20 5 BCBDRO [NH3+]CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237874988 181394710 /nfs/dbraw/zinc/39/47/10/181394710.db2.gz GMTXCSPFLSFCBA-UHFFFAOYSA-N 1 0 239.231 0.049 20 5 BCBDRO [NH3+]CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013834267 181395214 /nfs/dbraw/zinc/39/52/14/181395214.db2.gz KWWPRACPGGPLMF-UHFFFAOYSA-N 1 0 209.205 0.283 20 5 BCBDRO [NH3+]CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000037902480 181395772 /nfs/dbraw/zinc/39/57/72/181395772.db2.gz WXRRPWHDWMKSNR-UHFFFAOYSA-N 1 0 215.234 0.345 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111301822 370125388 /nfs/dbraw/zinc/12/53/88/370125388.db2.gz PVHKJKKMIRQYPI-QMMMGPOBSA-N 1 0 237.259 0.601 20 5 BCBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000070446739 371030809 /nfs/dbraw/zinc/03/08/09/371030809.db2.gz OJZUASFDVHIABK-SSDOTTSWSA-N 1 0 241.247 0.901 20 5 BCBDRO C[C@@H](CCO)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602705459 371833203 /nfs/dbraw/zinc/83/32/03/371833203.db2.gz LHLKGNSYLBJAAO-QMMMGPOBSA-N 1 0 242.279 0.531 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602482401 371814033 /nfs/dbraw/zinc/81/40/33/371814033.db2.gz GHVJHNYZSMSCML-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@@](CO)([NH2+]CCO)c1cccc([N+](=O)[O-])c1 ZINC000602965409 371858794 /nfs/dbraw/zinc/85/87/94/371858794.db2.gz FBGQGGJTSLIJPR-NSHDSACASA-N 1 0 240.259 0.384 20 5 BCBDRO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000603427128 371894017 /nfs/dbraw/zinc/89/40/17/371894017.db2.gz BGYZNAQWTQUAHQ-VXNVDRBHSA-N 1 0 239.279 0.107 20 5 BCBDRO C[NH2+][C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603428638 371894053 /nfs/dbraw/zinc/89/40/53/371894053.db2.gz KTGFLWAGQQBQMM-SECBINFHSA-N 1 0 239.279 0.122 20 5 BCBDRO C[C@@H](C[NH3+])N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429639 371895745 /nfs/dbraw/zinc/89/57/45/371895745.db2.gz NSKAJUATMHYNOG-ZETCQYMHSA-N 1 0 227.268 0.107 20 5 BCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000052093053 182038919 /nfs/dbraw/zinc/03/89/19/182038919.db2.gz CQDKBZGXNCTLSN-SNVBAGLBSA-N 1 0 249.270 0.615 20 5 BCBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000133672507 182242313 /nfs/dbraw/zinc/24/23/13/182242313.db2.gz ZUQWADKEKBYBOU-ZETCQYMHSA-N 1 0 238.247 0.262 20 5 BCBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000133614512 182242427 /nfs/dbraw/zinc/24/24/27/182242427.db2.gz SZUZOCBYLWALNM-ZETCQYMHSA-N 1 0 239.231 0.527 20 5 BCBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000133582096 182243071 /nfs/dbraw/zinc/24/30/71/182243071.db2.gz XLLRCKRXYKUIAB-VIFPVBQESA-N 1 0 249.270 0.934 20 5 BCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000052093175 182304464 /nfs/dbraw/zinc/30/44/64/182304464.db2.gz SUSLRSVWKMZKLC-MRVPVSSYSA-N 1 0 235.243 0.687 20 5 BCBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000229595660 384385570 /nfs/dbraw/zinc/38/55/70/384385570.db2.gz XDVDFDVYHHTMGI-YUMQZZPRSA-N 1 0 239.279 0.881 20 5 BCBDRO C[N@@H+]1CC[C@H](Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000187684748 384450501 /nfs/dbraw/zinc/45/05/01/384450501.db2.gz DGZCSEZMRRISOH-VIFPVBQESA-N 1 0 237.259 0.708 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCSCC2)n1 ZINC000176210463 384468466 /nfs/dbraw/zinc/46/84/66/384468466.db2.gz ZDUXHCWZFXNVRN-UHFFFAOYSA-N 1 0 242.304 0.840 20 5 BCBDRO C[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015921 384587072 /nfs/dbraw/zinc/58/70/72/384587072.db2.gz JHHLEHQSFWPLIK-SSDOTTSWSA-N 1 0 223.232 0.558 20 5 BCBDRO [NH3+]CCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000564926057 384589390 /nfs/dbraw/zinc/58/93/90/384589390.db2.gz FMOFNOIRAVWSMS-UHFFFAOYSA-N 1 0 231.639 0.759 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000050228767 384607389 /nfs/dbraw/zinc/60/73/89/384607389.db2.gz DMTSLWDQFAKUFT-ZCFIWIBFSA-N 1 0 224.220 0.096 20 5 BCBDRO COC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000234872642 384680970 /nfs/dbraw/zinc/68/09/70/384680970.db2.gz BXEPTNGPJZZNMQ-SNVBAGLBSA-N 1 0 240.259 0.692 20 5 BCBDRO CO[C@@H](C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000227346961 385130619 /nfs/dbraw/zinc/13/06/19/385130619.db2.gz DFMXOXHPYVQJMC-VIFPVBQESA-N 1 0 239.231 0.507 20 5 BCBDRO CO[C@H](C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000227346970 385130911 /nfs/dbraw/zinc/13/09/11/385130911.db2.gz DFMXOXHPYVQJMC-SECBINFHSA-N 1 0 239.231 0.507 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH3+] ZINC000034979738 385661344 /nfs/dbraw/zinc/66/13/44/385661344.db2.gz RRQOLJUIYYTNBD-UHFFFAOYSA-N 1 0 209.205 0.800 20 5 BCBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273975174 386056527 /nfs/dbraw/zinc/05/65/27/386056527.db2.gz PTQNOGOECAUQSU-UHFFFAOYSA-N 1 0 223.236 0.135 20 5 BCBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COC[C@H]2O)c1 ZINC000052926297 386371393 /nfs/dbraw/zinc/37/13/93/386371393.db2.gz UFZIAUJJKRDKGL-WDEREUQCSA-N 1 0 238.243 0.444 20 5 BCBDRO CC[NH+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266403227 386496339 /nfs/dbraw/zinc/49/63/39/386496339.db2.gz FFBDTCLWZHKCOZ-SNVBAGLBSA-N 1 0 242.279 0.494 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)C2CC2)c1 ZINC000266898506 386622718 /nfs/dbraw/zinc/62/27/18/386622718.db2.gz HMMVANKHTRFBIE-UHFFFAOYSA-N 1 0 240.263 0.248 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]([NH3+])C1 ZINC000346090953 386979487 /nfs/dbraw/zinc/97/94/87/386979487.db2.gz LFTNUESSWRCNEI-MRVPVSSYSA-N 1 0 239.279 0.251 20 5 BCBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000237634513 387047635 /nfs/dbraw/zinc/04/76/35/387047635.db2.gz QNIUKKRTIDKLTB-ZCFIWIBFSA-N 1 0 227.220 0.607 20 5 BCBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346142536 387024837 /nfs/dbraw/zinc/02/48/37/387024837.db2.gz RMICEPRSHIUHSG-SSDOTTSWSA-N 1 0 240.263 0.603 20 5 BCBDRO Cc1cc(NC(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC000415420937 387117395 /nfs/dbraw/zinc/11/73/95/387117395.db2.gz UGJXJKAQDMIDFL-UHFFFAOYSA-N 1 0 238.247 0.983 20 5 BCBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000372431441 388260467 /nfs/dbraw/zinc/26/04/67/388260467.db2.gz MRWIULZVUVVFTR-ZOZBQHSOSA-N 1 0 239.275 0.132 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH3+] ZINC000414668728 256627677 /nfs/dbraw/zinc/62/76/77/256627677.db2.gz ZDYDYRFRWCDMRJ-UHFFFAOYSA-N 1 0 238.247 0.983 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000132454883 388360521 /nfs/dbraw/zinc/36/05/21/388360521.db2.gz CLOXEOWUBLVSGM-SNVBAGLBSA-N 1 0 249.270 0.697 20 5 BCBDRO CN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])s1 ZINC000054417577 388519211 /nfs/dbraw/zinc/51/92/11/388519211.db2.gz ITEQFIPIGNLCRU-UHFFFAOYSA-N 1 0 229.261 0.687 20 5 BCBDRO C[N@H+](CCCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000276372263 388740025 /nfs/dbraw/zinc/74/00/25/388740025.db2.gz KAPYCUYPGNAYTD-UHFFFAOYSA-N 1 0 242.279 0.496 20 5 BCBDRO CC(C)(CC[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000424047260 388694336 /nfs/dbraw/zinc/69/43/36/388694336.db2.gz NKIKMNNZEOBISM-UHFFFAOYSA-N 1 0 241.251 0.175 20 5 BCBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000082578542 388729075 /nfs/dbraw/zinc/72/90/75/388729075.db2.gz PFYIGIDRAOFPEH-ZCFIWIBFSA-N 1 0 226.236 0.390 20 5 BCBDRO C[NH2+][C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430647048 388730453 /nfs/dbraw/zinc/73/04/53/388730453.db2.gz XESKVIGEKSADGC-SECBINFHSA-N 1 0 239.279 0.085 20 5 BCBDRO C[N@H+](CCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000281964103 388810910 /nfs/dbraw/zinc/81/09/10/388810910.db2.gz VHQUACWJSRFUDL-UHFFFAOYSA-N 1 0 228.252 0.106 20 5 BCBDRO C[C@@H](Cn1cccc([N+](=O)[O-])c1=O)[NH+](C)C ZINC000330884991 388761510 /nfs/dbraw/zinc/76/15/10/388761510.db2.gz PYAPPYFLPUFFFG-QMMMGPOBSA-N 1 0 225.248 0.707 20 5 BCBDRO COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000282075616 388812348 /nfs/dbraw/zinc/81/23/48/388812348.db2.gz ZKBIMUCUWUZKBC-QMMMGPOBSA-N 1 0 246.292 0.827 20 5 BCBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O ZINC000352228994 134110763 /nfs/dbraw/zinc/11/07/63/134110763.db2.gz BURMXAFDCMQNTQ-SECBINFHSA-N 1 0 242.279 0.494 20 5 BCBDRO C[C@H]1CN(C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000408113611 134396881 /nfs/dbraw/zinc/39/68/81/134396881.db2.gz UCEAQMWIYWSYHZ-QMMMGPOBSA-N 1 0 239.279 0.469 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH2+]C(C)(C)C1 ZINC000212811532 134620432 /nfs/dbraw/zinc/62/04/32/134620432.db2.gz RAZPCTZYXXLDKW-UHFFFAOYSA-N 1 0 239.279 0.517 20 5 BCBDRO C[NH2+]C[C@H](C)CNc1ncc([N+](=O)[O-])cn1 ZINC000168356966 134875202 /nfs/dbraw/zinc/87/52/02/134875202.db2.gz OXWFXSSJPUBYQY-ZETCQYMHSA-N 1 0 225.252 0.652 20 5 BCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1 ZINC000262063690 135276506 /nfs/dbraw/zinc/27/65/06/135276506.db2.gz ZZEFQTPBGAMZFY-UHFFFAOYSA-N 1 0 249.270 0.473 20 5 BCBDRO Cc1ccc(C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000104221538 410928623 /nfs/dbraw/zinc/92/86/23/410928623.db2.gz ODJCNQVPIYLMAF-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000364787165 172329732 /nfs/dbraw/zinc/32/97/32/172329732.db2.gz BDTRGRYVRJQGGC-BBBLOLIVSA-N 1 0 241.291 0.252 20 5 BCBDRO CN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000263749353 173186066 /nfs/dbraw/zinc/18/60/66/173186066.db2.gz OYKLWPHGWDETHT-JTQLQIEISA-N 1 0 249.270 0.915 20 5 BCBDRO C[NH2+]CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237228224 173329457 /nfs/dbraw/zinc/32/94/57/173329457.db2.gz NCDNPMYPSGGTCU-UHFFFAOYSA-N 1 0 237.259 0.473 20 5 BCBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000036279507 173348948 /nfs/dbraw/zinc/34/89/48/173348948.db2.gz RTPVKSIVPPOMEB-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO C[NH2+]CCN(C)c1ncc([N+](=O)[O-])cc1C ZINC000069802601 173354598 /nfs/dbraw/zinc/35/45/98/173354598.db2.gz UFEMOFQRXQZWTQ-UHFFFAOYSA-N 1 0 224.264 0.954 20 5 BCBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000054244071 173354918 /nfs/dbraw/zinc/35/49/18/173354918.db2.gz YRJJZDUBOVWWCZ-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO C[NH2+]CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000054244159 173355625 /nfs/dbraw/zinc/35/56/25/173355625.db2.gz JDUDHFXNZJJPAG-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO COC[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000124492321 174458043 /nfs/dbraw/zinc/45/80/43/174458043.db2.gz FRZIHBKZWRGSFU-MRVPVSSYSA-N 1 0 228.252 0.416 20 5 BCBDRO COc1ccc(NC(=O)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000136478704 175144945 /nfs/dbraw/zinc/14/49/45/175144945.db2.gz ZPDKJQBWKMVXJT-ZCFIWIBFSA-N 1 0 239.231 0.889 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000237375627 175708529 /nfs/dbraw/zinc/70/85/29/175708529.db2.gz YMOSJVXSVHEDRJ-QMMMGPOBSA-N 1 0 237.259 0.919 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000054369668 176326463 /nfs/dbraw/zinc/32/64/63/176326463.db2.gz SMLAPDDSJFMZPG-SSDOTTSWSA-N 1 0 238.247 0.357 20 5 BCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000572749980 323050743 /nfs/dbraw/zinc/05/07/43/323050743.db2.gz YLPDUTPPQIMTOY-DTWKUNHWSA-N 1 0 247.254 0.831 20 5 BCBDRO NC(=O)CC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000571158873 323136888 /nfs/dbraw/zinc/13/68/88/323136888.db2.gz YVBDJXXUOOWJKW-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO O=C(C[NH2+]C1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668508 323325962 /nfs/dbraw/zinc/32/59/62/323325962.db2.gz HVWMQRAFZJVWSK-UHFFFAOYSA-N 1 0 249.270 0.963 20 5 BCBDRO C[C@H](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+](C)C ZINC000855416878 588832127 /nfs/dbraw/zinc/83/21/27/588832127.db2.gz CBKFMAUICSGMKX-IWSPIJDZSA-N 1 0 229.280 0.108 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NCC[NH+]1CCCC1 ZINC000891563847 582697328 /nfs/dbraw/zinc/69/73/28/582697328.db2.gz HERIONUQGMZREA-UHFFFAOYSA-N 1 0 239.279 0.836 20 5 BCBDRO C[N@@H+]1C[C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893938826 583254158 /nfs/dbraw/zinc/25/41/58/583254158.db2.gz GJWHIWBZXXRDEQ-WCBMZHEXSA-N 1 0 249.274 0.525 20 5 BCBDRO CCOC(=O)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000899859286 584242678 /nfs/dbraw/zinc/24/26/78/584242678.db2.gz IMZQUTFHLATWOD-UHFFFAOYSA-N 1 0 245.279 0.474 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000899871834 584244605 /nfs/dbraw/zinc/24/46/05/584244605.db2.gz WRBGMBUSYKOFPW-JTQLQIEISA-N 1 0 222.244 0.856 20 5 BCBDRO CC(C)C[N@@H+]1CCO[C@H](CNCC[N+](=O)[O-])C1 ZINC000899875785 584245226 /nfs/dbraw/zinc/24/52/26/584245226.db2.gz IJBGTJCXSMVSLV-LLVKDONJSA-N 1 0 245.323 0.210 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000899872168 584245549 /nfs/dbraw/zinc/24/55/49/584245549.db2.gz WUBQVPPTYVLNOJ-UHFFFAOYSA-N 1 0 230.264 0.538 20 5 BCBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000899891353 584246068 /nfs/dbraw/zinc/24/60/68/584246068.db2.gz OHAFATYBZHAJHU-GARJFASQSA-N 1 0 245.323 0.350 20 5 BCBDRO C[NH2+][C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827890 585180643 /nfs/dbraw/zinc/18/06/43/585180643.db2.gz TWFBHJURINHWEN-SNVBAGLBSA-N 1 0 236.275 0.784 20 5 BCBDRO C[C@@H]1COCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000753992060 585274518 /nfs/dbraw/zinc/27/45/18/585274518.db2.gz HUQBDLHFMHVNCY-VIFPVBQESA-N 1 0 240.263 0.717 20 5 BCBDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839558477 585330940 /nfs/dbraw/zinc/33/09/40/585330940.db2.gz BSIJCQMZPBXJDD-IVZWLZJFSA-N 1 0 241.291 0.110 20 5 BCBDRO CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839696274 585335617 /nfs/dbraw/zinc/33/56/17/585335617.db2.gz PZSNKOPCKCKSMW-NXEZZACHSA-N 1 0 243.307 0.500 20 5 BCBDRO CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839708169 585337789 /nfs/dbraw/zinc/33/77/89/585337789.db2.gz GOYYNMCPAPZVHK-NXEZZACHSA-N 1 0 243.307 0.450 20 5 BCBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839716610 585338298 /nfs/dbraw/zinc/33/82/98/585338298.db2.gz DSYBCTMFIBORIN-ZYUZMQFOSA-N 1 0 241.291 0.203 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000761093195 585408189 /nfs/dbraw/zinc/40/81/89/585408189.db2.gz NKPWFFPBGLLFQG-SCZZXKLOSA-N 1 0 222.248 0.886 20 5 BCBDRO C[C@H](CCO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000779411338 585753795 /nfs/dbraw/zinc/75/37/95/585753795.db2.gz CZKTYCDTEAVJBS-MRVPVSSYSA-N 1 0 228.252 0.152 20 5 BCBDRO COC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791051421 585972953 /nfs/dbraw/zinc/97/29/53/585972953.db2.gz CTKPWNODOGXKAN-SECBINFHSA-N 1 0 202.254 0.622 20 5 BCBDRO CC[N@H+](C)C[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791053105 585973047 /nfs/dbraw/zinc/97/30/47/585973047.db2.gz SJCUZGDNMCADDA-SNVBAGLBSA-N 1 0 215.297 0.537 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])CC1CCOCC1 ZINC000791055749 585973724 /nfs/dbraw/zinc/97/37/24/585973724.db2.gz WQCOHYWWLFESQL-UHFFFAOYSA-N 1 0 202.254 0.622 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(CC[NH3+])no1 ZINC000843129758 586418379 /nfs/dbraw/zinc/41/83/79/586418379.db2.gz UWZRWQOTUOWYLI-UHFFFAOYSA-N 1 0 237.219 0.485 20 5 BCBDRO CCc1cnccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840346894 586818226 /nfs/dbraw/zinc/81/82/26/586818226.db2.gz ODHAUQGWISADAR-PSASIEDQSA-N 1 0 235.243 0.670 20 5 BCBDRO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840374623 586933691 /nfs/dbraw/zinc/93/36/91/586933691.db2.gz FBJSKKGVTKFNGT-IVZWLZJFSA-N 1 0 241.291 0.110 20 5 BCBDRO C[NH+](C)CCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673583 587916416 /nfs/dbraw/zinc/91/64/16/587916416.db2.gz UEQBSSCTNOFWQL-HTQZYQBOSA-N 1 0 216.237 0.147 20 5 BCBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ncc[nH]1 ZINC000848387335 588375685 /nfs/dbraw/zinc/37/56/85/588375685.db2.gz QTIJEBUOQHXDFX-FSDSQADBSA-N 1 0 224.220 0.252 20 5 BCBDRO Cc1ccc(CNC(=O)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000867995422 589543152 /nfs/dbraw/zinc/54/31/52/589543152.db2.gz CUZRVLLWSCDYTH-MRVPVSSYSA-N 1 0 237.259 0.867 20 5 BCBDRO C[N@H+](CCO)CCNc1ccccc1[N+](=O)[O-] ZINC000884822846 592022103 /nfs/dbraw/zinc/02/21/03/592022103.db2.gz GZPXNIJNEWWSNQ-UHFFFAOYSA-N 1 0 239.275 0.931 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]CC1 ZINC000886827104 592350025 /nfs/dbraw/zinc/35/00/25/592350025.db2.gz DSWMHRHDJCYKHN-UHFFFAOYSA-N 1 0 222.248 0.395 20 5 BCBDRO CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886827083 592350606 /nfs/dbraw/zinc/35/06/06/592350606.db2.gz DCICUONWAODAJD-JTQLQIEISA-N 1 0 236.275 0.784 20 5 BCBDRO C[C@@H]([NH3+])CN(C)Cc1cccnc1[N+](=O)[O-] ZINC000886841852 592362326 /nfs/dbraw/zinc/36/23/26/592362326.db2.gz YKDQCOBCNHFIQZ-MRVPVSSYSA-N 1 0 224.264 0.769 20 5 BCBDRO CO[C@@H]1CC[C@@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000931474303 634495211 /nfs/dbraw/zinc/49/52/11/634495211.db2.gz LPUKLTIGUUUJNS-RKDXNWHRSA-N 1 0 202.254 0.762 20 5 BCBDRO CO[C@H]1CC[C@@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000931474277 634495239 /nfs/dbraw/zinc/49/52/39/634495239.db2.gz LPUKLTIGUUUJNS-BDAKNGLRSA-N 1 0 202.254 0.762 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933380963 631344290 /nfs/dbraw/zinc/34/42/90/631344290.db2.gz BVADFVOBWNTMKK-WCBMZHEXSA-N 1 0 212.249 0.564 20 5 BCBDRO C[NH2+]CCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000085426570 631810415 /nfs/dbraw/zinc/81/04/15/631810415.db2.gz YIVNLYCLGPDULT-UHFFFAOYSA-N 1 0 224.264 0.954 20 5 BCBDRO C[C@H]1COC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000925563161 634048186 /nfs/dbraw/zinc/04/81/86/634048186.db2.gz ASFSVGHWVDFBSY-WCBMZHEXSA-N 1 0 240.263 0.416 20 5 BCBDRO CC[N@H+]1[C@H](C)CN(CC[N+](=O)[O-])C[C@@H]1C ZINC000930883909 634152900 /nfs/dbraw/zinc/15/29/00/634152900.db2.gz XWRSXIUVSTXBFF-AOOOYVTPSA-N 1 0 215.297 0.678 20 5 BCBDRO C[NH+](C)C[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000029587169 636440636 /nfs/dbraw/zinc/44/06/36/636440636.db2.gz IMBPFIMUMGPKKR-SECBINFHSA-N 1 0 239.275 0.929 20 5 BCBDRO C[NH+](C)C[C@@H](O)CNc1ncccc1[N+](=O)[O-] ZINC000029587198 636441001 /nfs/dbraw/zinc/44/10/01/636441001.db2.gz QFFGXVVOAHMUJA-QMMMGPOBSA-N 1 0 240.263 0.324 20 5 BCBDRO C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCNC1=O ZINC000897872603 636841996 /nfs/dbraw/zinc/84/19/96/636841996.db2.gz JAQVIGLTJSYPHS-LBPRGKRZSA-N 1 0 249.270 0.963 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCOCC(F)(F)F ZINC000905033071 637553729 /nfs/dbraw/zinc/55/37/29/637553729.db2.gz AFYFJWWXRBNCRL-UHFFFAOYSA-N 1 0 230.186 0.822 20 5 BCBDRO C[C@H](CNCC[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000905049751 637567263 /nfs/dbraw/zinc/56/72/63/637567263.db2.gz PXIDYPXRBJSSKC-WDEREUQCSA-N 1 0 229.324 0.973 20 5 BCBDRO CC[C@H](C)NC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905052682 637568797 /nfs/dbraw/zinc/56/87/97/637568797.db2.gz SYGWEZQQATWCHW-QMMMGPOBSA-N 1 0 217.269 0.158 20 5 BCBDRO Cc1nc(CC[NH2+]CC[N+](=O)[O-])cs1 ZINC000905022843 637572710 /nfs/dbraw/zinc/57/27/10/637572710.db2.gz HSRGHBPKTCEEQK-UHFFFAOYSA-N 1 0 215.278 0.860 20 5 BCBDRO CN(CC[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905081167 637583336 /nfs/dbraw/zinc/58/33/36/637583336.db2.gz HOFCKIQUADITQA-UHFFFAOYSA-N 1 0 247.295 0.720 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOc1cccnc1 ZINC000905117362 637623020 /nfs/dbraw/zinc/62/30/20/637623020.db2.gz PCYPJGGGDPHLNI-UHFFFAOYSA-N 1 0 211.221 0.327 20 5 BCBDRO CSC1(C[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000905135172 637644798 /nfs/dbraw/zinc/64/47/98/637644798.db2.gz IDTFYYQUSBPPIR-UHFFFAOYSA-N 1 0 234.321 0.765 20 5 BCBDRO C[C@H](Cc1ccncc1)[NH2+]CC[N+](=O)[O-] ZINC000905156577 637638517 /nfs/dbraw/zinc/63/85/17/637638517.db2.gz UBLPAPCWWGDEIN-SECBINFHSA-N 1 0 209.249 0.879 20 5 BCBDRO C[C@H](NCC[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000905132476 637643967 /nfs/dbraw/zinc/64/39/67/637643967.db2.gz MGRLSCXPCNZGEI-VIFPVBQESA-N 1 0 217.313 0.829 20 5 BCBDRO C[C@@H]1C[C@H](NCC[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000905160971 637673727 /nfs/dbraw/zinc/67/37/27/637673727.db2.gz RGQODTGAZXLTDB-BDAKNGLRSA-N 1 0 213.281 0.478 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000905167835 637679045 /nfs/dbraw/zinc/67/90/45/637679045.db2.gz WDGWKPSJCRVGIK-MRVPVSSYSA-N 1 0 210.237 0.133 20 5 BCBDRO Cc1cc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])[nH]n1 ZINC000905175553 637685156 /nfs/dbraw/zinc/68/51/56/637685156.db2.gz NNTKLPKREVZAMR-SSDOTTSWSA-N 1 0 212.253 0.515 20 5 BCBDRO C[NH+](C)C1(CNCC[N+](=O)[O-])CCC1 ZINC000905230488 637690348 /nfs/dbraw/zinc/69/03/48/637690348.db2.gz MUIYLOLTJTWDNS-UHFFFAOYSA-N 1 0 201.270 0.337 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000905215256 637699379 /nfs/dbraw/zinc/69/93/79/637699379.db2.gz MKRMEXBGKCLUBH-UWVGGRQHSA-N 1 0 214.265 0.810 20 5 BCBDRO CCOC(=O)N1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905221617 637701801 /nfs/dbraw/zinc/70/18/01/637701801.db2.gz ZESIVJMWDCURIN-QMMMGPOBSA-N 1 0 231.252 0.084 20 5 BCBDRO CCOC(=O)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905221616 637702178 /nfs/dbraw/zinc/70/21/78/637702178.db2.gz ZESIVJMWDCURIN-MRVPVSSYSA-N 1 0 231.252 0.084 20 5 BCBDRO CCNC(=O)C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905234309 637720410 /nfs/dbraw/zinc/72/04/10/637720410.db2.gz YTAODILYOODVCK-UHFFFAOYSA-N 1 0 229.280 0.159 20 5 BCBDRO CC1(C)CC[C@@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905234072 637721273 /nfs/dbraw/zinc/72/12/73/637721273.db2.gz YECVSHGHRWWSGC-QMMMGPOBSA-N 1 0 202.254 0.810 20 5 BCBDRO CO[C@H]([C@H](C)[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905278030 637734411 /nfs/dbraw/zinc/73/44/11/637734411.db2.gz BEJZPTCAIRDZOP-IONNQARKSA-N 1 0 202.254 0.666 20 5 BCBDRO CO[C@@H]([C@H](C)[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905278029 637734508 /nfs/dbraw/zinc/73/45/08/637734508.db2.gz BEJZPTCAIRDZOP-CBAPKCEASA-N 1 0 202.254 0.666 20 5 BCBDRO Cc1cnc(CC[NH2+]CC[N+](=O)[O-])cn1 ZINC000905281249 637735402 /nfs/dbraw/zinc/73/54/02/637735402.db2.gz RJQYCCBPZFVSSH-UHFFFAOYSA-N 1 0 210.237 0.194 20 5 BCBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905368017 637789771 /nfs/dbraw/zinc/78/97/71/637789771.db2.gz XMXUNDWNMUXDCU-RKDXNWHRSA-N 1 0 234.296 0.011 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000905349974 637769584 /nfs/dbraw/zinc/76/95/84/637769584.db2.gz MDAVEDXXMKFILR-DTWKUNHWSA-N 1 0 202.254 0.404 20 5 BCBDRO CC(C)(C)C[C@@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905354715 637772982 /nfs/dbraw/zinc/77/29/82/637772982.db2.gz PEFPZQQOWLVLRA-MRVPVSSYSA-N 1 0 204.270 0.650 20 5 BCBDRO Cc1ccccc1C[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905357444 637776895 /nfs/dbraw/zinc/77/68/95/637776895.db2.gz LPJMEUXPDXDQQL-GFCCVEGCSA-N 1 0 238.287 0.765 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000905390310 637786702 /nfs/dbraw/zinc/78/67/02/637786702.db2.gz PHIASYLIBDMSMV-LBPRGKRZSA-N 1 0 236.271 0.994 20 5 BCBDRO Cc1ccc([C@H](O)C[NH2+]CC[N+](=O)[O-])o1 ZINC000905362151 637787070 /nfs/dbraw/zinc/78/70/70/637787070.db2.gz TYGOFTFIODVUAL-MRVPVSSYSA-N 1 0 214.221 0.488 20 5 BCBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000905365160 637788011 /nfs/dbraw/zinc/78/80/11/637788011.db2.gz ANKLLZLHSVXRPK-RITPCOANSA-N 1 0 230.186 0.555 20 5 BCBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)C(F)F ZINC000905372308 637790635 /nfs/dbraw/zinc/79/06/35/637790635.db2.gz JLLAKMUKBVCYSL-PHDIDXHHSA-N 1 0 212.196 0.257 20 5 BCBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)C(F)F ZINC000905372309 637791928 /nfs/dbraw/zinc/79/19/28/637791928.db2.gz JLLAKMUKBVCYSL-RITPCOANSA-N 1 0 212.196 0.257 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](CCO)Cc1ccccc1 ZINC000905371097 637792192 /nfs/dbraw/zinc/79/21/92/637792192.db2.gz FXIHRRXSNHMBJM-GFCCVEGCSA-N 1 0 238.287 0.846 20 5 BCBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C2 ZINC000905405124 637796380 /nfs/dbraw/zinc/79/63/80/637796380.db2.gz PWKWZRLGJMATCM-WEDXCCLWSA-N 1 0 228.248 0.194 20 5 BCBDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905406106 637797093 /nfs/dbraw/zinc/79/70/93/637797093.db2.gz UXOPVPMPAVYBBI-RKDXNWHRSA-N 1 0 216.281 0.792 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000905396762 637807620 /nfs/dbraw/zinc/80/76/20/637807620.db2.gz TZEYDPPYTDKECE-RKDXNWHRSA-N 1 0 200.238 0.420 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000905396760 637808796 /nfs/dbraw/zinc/80/87/96/637808796.db2.gz TZEYDPPYTDKECE-DTWKUNHWSA-N 1 0 200.238 0.420 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1CCC2(COC2)CC1 ZINC000905454751 637820599 /nfs/dbraw/zinc/82/05/99/637820599.db2.gz ZKELZBDVYXQPQL-UHFFFAOYSA-N 1 0 214.265 0.812 20 5 BCBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CCCCO1 ZINC000905597627 637858546 /nfs/dbraw/zinc/85/85/46/637858546.db2.gz SIHFEDIMNRLKOG-SECBINFHSA-N 1 0 202.254 0.812 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)Cc1ccccc1F ZINC000905471891 637831119 /nfs/dbraw/zinc/83/11/19/637831119.db2.gz IHVJQAGMLOHLTL-SNVBAGLBSA-N 1 0 242.250 0.595 20 5 BCBDRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]2C1 ZINC000905655381 637871896 /nfs/dbraw/zinc/87/18/96/637871896.db2.gz WAPXTUMFSLVIOI-KYXWUPHJSA-N 1 0 242.275 0.440 20 5 BCBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905706588 637890258 /nfs/dbraw/zinc/89/02/58/637890258.db2.gz VNFBPRSDWGWMRQ-BDAKNGLRSA-N 1 0 230.264 0.585 20 5 BCBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cn1 ZINC000031576228 638494718 /nfs/dbraw/zinc/49/47/18/638494718.db2.gz FWZBZHYXNVOBDZ-VIFPVBQESA-N 1 0 240.263 0.324 20 5 BCBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930267021 639668722 /nfs/dbraw/zinc/66/87/22/639668722.db2.gz FDDRRLOGDINXGP-ZJUUUORDSA-N 1 0 216.281 0.889 20 5 BCBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930267018 639670152 /nfs/dbraw/zinc/67/01/52/639670152.db2.gz FDDRRLOGDINXGP-UWVGGRQHSA-N 1 0 216.281 0.889 20 5 BCBDRO C[C@@H]1CN(CC[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000930268474 639673202 /nfs/dbraw/zinc/67/32/02/639673202.db2.gz BMROWCMKGIOTSC-PSASIEDQSA-N 1 0 214.265 0.762 20 5 BCBDRO CO[C@H]1CC[N@H+](CC[N+](=O)[O-])[C@H](C)C1 ZINC000930323462 639704202 /nfs/dbraw/zinc/70/42/02/639704202.db2.gz NOXPEGNBLVXRFC-BDAKNGLRSA-N 1 0 202.254 0.762 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000930366757 639731290 /nfs/dbraw/zinc/73/12/90/639731290.db2.gz YMLNDMPVVMUDLU-UWVGGRQHSA-N 1 0 214.265 0.907 20 5 BCBDRO C[C@@H]1CN(CC[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000930579226 639813438 /nfs/dbraw/zinc/81/34/38/639813438.db2.gz DJPJTWBYYOUVDD-DTORHVGOSA-N 1 0 201.270 0.288 20 5 BCBDRO CCN(C)C(=O)[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000930609577 639821750 /nfs/dbraw/zinc/82/17/50/639821750.db2.gz ITGNBFUJCYYVBI-VIFPVBQESA-N 1 0 231.296 0.356 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000930631423 639831776 /nfs/dbraw/zinc/83/17/76/639831776.db2.gz DHMQAFVULPFQSS-IVZWLZJFSA-N 1 0 226.276 0.810 20 5 BCBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930634693 639834224 /nfs/dbraw/zinc/83/42/24/639834224.db2.gz VJYQFDQCAOKBDX-DJLDLDEBSA-N 1 0 216.281 0.912 20 5 BCBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930665186 639852753 /nfs/dbraw/zinc/85/27/53/639852753.db2.gz GODVLBNOAMQRTC-RKDXNWHRSA-N 1 0 202.254 0.810 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000930737286 639885961 /nfs/dbraw/zinc/88/59/61/639885961.db2.gz LJGCZAVGCHINEZ-UHFFFAOYSA-N 1 0 245.323 0.306 20 5 BCBDRO CC(C)[N@H+](CC[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000930736555 639886788 /nfs/dbraw/zinc/88/67/88/639886788.db2.gz APLHDACHPIAUQL-SECBINFHSA-N 1 0 229.280 0.252 20 5 BCBDRO CN(CC[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000930753594 639897967 /nfs/dbraw/zinc/89/79/67/639897967.db2.gz HICAEZWXYIUVMY-SECBINFHSA-N 1 0 201.270 0.289 20 5 BCBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC[N+](=O)[O-] ZINC000931037684 640034140 /nfs/dbraw/zinc/03/41/40/640034140.db2.gz IUVQKYZZQVUYLF-BDAKNGLRSA-N 1 0 201.270 0.288 20 5 BCBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@]1(C)CO ZINC000931065045 640053312 /nfs/dbraw/zinc/05/33/12/640053312.db2.gz DZFSHNCPGBYFJR-RKDXNWHRSA-N 1 0 202.254 0.213 20 5 BCBDRO CC1(C)CC[C@@H](CO)[N@H+](CC[N+](=O)[O-])C1 ZINC000931102461 640067540 /nfs/dbraw/zinc/06/75/40/640067540.db2.gz GOHXZBPOARTRLB-VIFPVBQESA-N 1 0 216.281 0.746 20 5 BCBDRO O=[N+]([O-])CCN1CC[NH+](CCCCCO)CC1 ZINC000931492301 640233072 /nfs/dbraw/zinc/23/30/72/640233072.db2.gz LAEVQZXQKZFJGM-UHFFFAOYSA-N 1 0 245.323 0.043 20 5 BCBDRO CC[C@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000931773196 640367458 /nfs/dbraw/zinc/36/74/58/640367458.db2.gz RGZDIHRUNXRNCD-SECBINFHSA-N 1 0 225.248 0.850 20 5 BCBDRO CC[N@H+](CC[N+](=O)[O-])C[C@H]1CCCO1 ZINC000929417870 641258368 /nfs/dbraw/zinc/25/83/68/641258368.db2.gz VVKYRRHWRCOJTG-SECBINFHSA-N 1 0 202.254 0.764 20 5 BCBDRO COCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929629650 641380320 /nfs/dbraw/zinc/38/03/20/641380320.db2.gz TUTNOPSSIGTAQT-UHFFFAOYSA-N 1 0 202.254 0.622 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NCC[NH+](C)C ZINC000891416159 642496713 /nfs/dbraw/zinc/49/67/13/642496713.db2.gz MMVJYVVCMFJKJF-UHFFFAOYSA-N 1 0 213.241 0.302 20 5 BCBDRO CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020140692 643061642 /nfs/dbraw/zinc/06/16/42/643061642.db2.gz UFIZNLBBYHSJBL-ZYUZMQFOSA-N 1 0 241.291 0.298 20 5 BCBDRO Cc1c(C[NH2+]C[C@H](O)CO)cccc1[N+](=O)[O-] ZINC000090283091 643129100 /nfs/dbraw/zinc/12/91/00/643129100.db2.gz QAOBJRJGUMDWSL-JTQLQIEISA-N 1 0 240.259 0.346 20 5 BCBDRO Cc1c(C[NH2+]C[C@@H](O)CO)cccc1[N+](=O)[O-] ZINC000090283092 643130058 /nfs/dbraw/zinc/13/00/58/643130058.db2.gz QAOBJRJGUMDWSL-SNVBAGLBSA-N 1 0 240.259 0.346 20 5 BCBDRO C[C@H]([NH2+]C[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282427 643130770 /nfs/dbraw/zinc/13/07/70/643130770.db2.gz VUFZORXZPQNCPX-GZMMTYOYSA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000932486970 643311373 /nfs/dbraw/zinc/31/13/73/643311373.db2.gz FNRWRXOBQWVRBO-CBAPKCEASA-N 1 0 240.263 0.453 20 5 BCBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929594943 646189924 /nfs/dbraw/zinc/18/99/24/646189924.db2.gz KRARSPJDAIKJPF-BDAKNGLRSA-N 1 0 202.254 0.498 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000929607258 646197020 /nfs/dbraw/zinc/19/70/20/646197020.db2.gz NRHOAPQKRDQXHX-VIFPVBQESA-N 1 0 202.254 0.622 20 5 BCBDRO CN(CC[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929622188 646206177 /nfs/dbraw/zinc/20/61/77/646206177.db2.gz CDLFHQYKSMOUHL-JTQLQIEISA-N 1 0 213.281 0.432 20 5 BCBDRO CN(CC[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929622189 646206874 /nfs/dbraw/zinc/20/68/74/646206874.db2.gz CDLFHQYKSMOUHL-SNVBAGLBSA-N 1 0 213.281 0.432 20 5 BCBDRO O=[N+]([O-])CC[N@@H+](CCCCO)C1CC1 ZINC000929702205 646256800 /nfs/dbraw/zinc/25/68/00/646256800.db2.gz OAGPLMRYHJGLRO-UHFFFAOYSA-N 1 0 202.254 0.500 20 5 BCBDRO CC[NH+](CC)C[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929751344 646284175 /nfs/dbraw/zinc/28/41/75/646284175.db2.gz ZWHKERDVDGLOQE-LLVKDONJSA-N 1 0 229.324 0.927 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000929822514 646337984 /nfs/dbraw/zinc/33/79/84/646337984.db2.gz DPLFLDAJAOHVKT-NXEZZACHSA-N 1 0 214.265 0.764 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C1CCC(CO)CC1 ZINC000930053364 646412807 /nfs/dbraw/zinc/41/28/07/646412807.db2.gz DNTVCXNIZCXOES-UHFFFAOYSA-N 1 0 216.281 0.746 20 5 BCBDRO CC[N@@H+]1CCN(CC[N+](=O)[O-])C[C@@H]1C ZINC000930084983 646426292 /nfs/dbraw/zinc/42/62/92/646426292.db2.gz FNNKVOYCVKMXLV-VIFPVBQESA-N 1 0 201.270 0.289 20 5 BCBDRO C[N@@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000916575116 711873170 /nfs/dbraw/zinc/87/31/70/711873170.db2.gz IPDBQSSBPCQYGB-MRVPVSSYSA-N 1 0 210.237 0.886 20 5 BCBDRO Cc1cc(F)cc(C(=O)NCC[NH3+])c1[N+](=O)[O-] ZINC000237622264 178077095 /nfs/dbraw/zinc/07/70/95/178077095.db2.gz HPYOAMSCOQBBCE-UHFFFAOYSA-N 1 0 241.222 0.731 20 5 BCBDRO [NH3+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237954489 398201533 /nfs/dbraw/zinc/20/15/33/398201533.db2.gz GGZNYTJGFASQFN-UHFFFAOYSA-N 1 0 235.243 0.438 20 5 BCBDRO Cc1ccc(C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000104221534 178410996 /nfs/dbraw/zinc/41/09/96/178410996.db2.gz ODJCNQVPIYLMAF-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO C[NH+](C)C1CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000158334875 398332246 /nfs/dbraw/zinc/33/22/46/398332246.db2.gz KFIRVZWAVMAYQF-UHFFFAOYSA-N 1 0 249.270 0.981 20 5 BCBDRO COCC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000175169782 536796469 /nfs/dbraw/zinc/79/64/69/536796469.db2.gz LDCAECPCWPSWKC-UHFFFAOYSA-N 1 0 242.279 0.806 20 5 BCBDRO C[NH2+]C[C@H](C)CNc1c([N+](=O)[O-])ncn1C ZINC000168342542 136267615 /nfs/dbraw/zinc/26/76/15/136267615.db2.gz IABCMUCLRHVWPR-ZETCQYMHSA-N 1 0 227.268 0.596 20 5 BCBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000310573232 343541472 /nfs/dbraw/zinc/54/14/72/343541472.db2.gz ZVSMWGWMXUCGSO-SNVBAGLBSA-N 1 0 242.279 0.492 20 5 BCBDRO CC(C)([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943171 187271503 /nfs/dbraw/zinc/27/15/03/187271503.db2.gz DIEHDWRNOUJRLA-UHFFFAOYSA-N 1 0 237.259 0.948 20 5 BCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000381370786 344498752 /nfs/dbraw/zinc/49/87/52/344498752.db2.gz MMSGTDUCVIVRRU-RQJHMYQMSA-N 1 0 240.263 0.399 20 5 BCBDRO C[C@H]1C[NH2+]CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429035 344521990 /nfs/dbraw/zinc/52/19/90/344521990.db2.gz LFNLULMHWFUWKW-QMMMGPOBSA-N 1 0 239.279 0.122 20 5 BCBDRO CC[N@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269145 344799618 /nfs/dbraw/zinc/79/96/18/344799618.db2.gz GTNNIPMQVPXOMZ-UHFFFAOYSA-N 1 0 240.267 0.331 20 5 BCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000381753091 345344550 /nfs/dbraw/zinc/34/45/50/345344550.db2.gz NSDWJXKJPCVUMW-WDSKDSINSA-N 1 0 227.220 0.653 20 5 BCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000381753085 345344647 /nfs/dbraw/zinc/34/46/47/345344647.db2.gz NSDWJXKJPCVUMW-PHDIDXHHSA-N 1 0 227.220 0.653 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000082573520 345436717 /nfs/dbraw/zinc/43/67/17/345436717.db2.gz BNRWCBXZDIOLIV-ZCFIWIBFSA-N 1 0 226.236 0.010 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000082573621 345436735 /nfs/dbraw/zinc/43/67/35/345436735.db2.gz PDWZPDWCBQISIX-YFKPBYRVSA-N 1 0 229.261 0.733 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000082573517 345436929 /nfs/dbraw/zinc/43/69/29/345436929.db2.gz BNRWCBXZDIOLIV-LURJTMIESA-N 1 0 226.236 0.010 20 5 BCBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000107571544 345532137 /nfs/dbraw/zinc/53/21/37/345532137.db2.gz DNPHYFDQGLYRJI-IUCAKERBSA-N 1 0 234.259 0.645 20 5 BCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH3+] ZINC000580075199 346511245 /nfs/dbraw/zinc/51/12/45/346511245.db2.gz XKTADNYWRSNCPQ-UHFFFAOYSA-N 1 0 238.247 0.256 20 5 BCBDRO O=c1c([N+](=O)[O-])cccn1CC[C@@H]1CC[NH2+]C1 ZINC000580644144 365839758 /nfs/dbraw/zinc/83/97/58/365839758.db2.gz HTUXDLQBLOMDAV-VIFPVBQESA-N 1 0 237.259 0.756 20 5 BCBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591152175 347626128 /nfs/dbraw/zinc/62/61/28/347626128.db2.gz XXIPAJZFPDQXIC-UHFFFAOYSA-N 1 0 240.238 0.879 20 5 BCBDRO C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CO1 ZINC000592365839 347775016 /nfs/dbraw/zinc/77/50/16/347775016.db2.gz JQGQKOGKBZAWHV-BDAKNGLRSA-N 1 0 240.263 0.558 20 5 BCBDRO O=c1c([N+](=O)[O-])cccn1C[C@@H]1CC[NH2+]C1 ZINC000592158768 347745871 /nfs/dbraw/zinc/74/58/71/347745871.db2.gz QMRMVZDTMWNVKV-MRVPVSSYSA-N 1 0 223.232 0.366 20 5 BCBDRO Cc1nn(C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592165189 347746414 /nfs/dbraw/zinc/74/64/14/347746414.db2.gz BFEHODKVUUACOO-MRVPVSSYSA-N 1 0 210.237 0.709 20 5 BCBDRO [NH3+]CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592493282 347787939 /nfs/dbraw/zinc/78/79/39/347787939.db2.gz DVMCJELANCYBQA-UHFFFAOYSA-N 1 0 222.248 0.307 20 5 BCBDRO C[C@@H](CCO)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593107025 347859899 /nfs/dbraw/zinc/85/98/99/347859899.db2.gz DQPXHKFYFFAVNN-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H]1C[NH2+]CCO1 ZINC000594699101 348101986 /nfs/dbraw/zinc/10/19/86/348101986.db2.gz PWUWBBQBIPKITK-QMMMGPOBSA-N 1 0 226.236 0.088 20 5 BCBDRO CC[C@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594648651 348087712 /nfs/dbraw/zinc/08/77/12/348087712.db2.gz CUDPVNXMYVEMHC-QMMMGPOBSA-N 1 0 248.246 0.980 20 5 BCBDRO Cc1noc(CN(C)C2CC(O)C2)c1[N+](=O)[O-] ZINC000595438555 348250255 /nfs/dbraw/zinc/25/02/55/348250255.db2.gz PWESYLOWBRWQME-UHFFFAOYSA-N 1 0 241.247 0.846 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000595981202 348416929 /nfs/dbraw/zinc/41/69/29/348416929.db2.gz AWIYSJJXGHMMTL-LURJTMIESA-N 1 0 226.236 0.261 20 5 BCBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])nc1 ZINC000596242971 348485247 /nfs/dbraw/zinc/48/52/47/348485247.db2.gz HPPWBEFRMAJCPQ-VIFPVBQESA-N 1 0 240.263 0.324 20 5 BCBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000596246871 348486337 /nfs/dbraw/zinc/48/63/37/348486337.db2.gz IZXGLDRJLNDJCD-UHFFFAOYSA-N 1 0 236.275 0.988 20 5 BCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@H]21 ZINC000599083316 349096584 /nfs/dbraw/zinc/09/65/84/349096584.db2.gz HXXMSXDZSGQTSP-IAZYJMLFSA-N 1 0 248.286 0.986 20 5 BCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000599083748 349096612 /nfs/dbraw/zinc/09/66/12/349096612.db2.gz MJAXIVHPCVVGNY-IAZYJMLFSA-N 1 0 248.286 0.986 20 5 BCBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000383011652 351162494 /nfs/dbraw/zinc/16/24/94/351162494.db2.gz CDUZDGXGNJTMRA-SSDOTTSWSA-N 1 0 240.263 0.353 20 5 BCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000383011655 351162583 /nfs/dbraw/zinc/16/25/83/351162583.db2.gz CDUZDGXGNJTMRA-ZETCQYMHSA-N 1 0 240.263 0.353 20 5 BCBDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000137110473 351308822 /nfs/dbraw/zinc/30/88/22/351308822.db2.gz ARLYQFPOMNHGNY-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO C[NH2+]Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000090295311 363032214 /nfs/dbraw/zinc/03/22/14/363032214.db2.gz LGRSKFZZURGTIK-UHFFFAOYSA-N 1 0 247.258 0.954 20 5 BCBDRO C[NH+](C)CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000572158443 323555029 /nfs/dbraw/zinc/55/50/29/323555029.db2.gz RSJFYJRGVZZZKY-UHFFFAOYSA-N 1 0 229.211 0.457 20 5 BCBDRO C[NH2+]CCNCc1ccccc1[N+](=O)[O-] ZINC000414818603 191581185 /nfs/dbraw/zinc/58/11/85/191581185.db2.gz FNWWWSTYSBOFIN-UHFFFAOYSA-N 1 0 209.249 0.904 20 5 BCBDRO CCNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035135891 355842337 /nfs/dbraw/zinc/84/23/37/355842337.db2.gz VAALJYLFTOXODU-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO NC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000036747212 181225448 /nfs/dbraw/zinc/22/54/48/181225448.db2.gz OGBADMPCCKFNDR-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO Cc1nc(N[C@@H](C)[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000420254530 192188310 /nfs/dbraw/zinc/18/83/10/192188310.db2.gz AARHSUBMLVVJDJ-WDSKDSINSA-N 1 0 225.252 0.841 20 5 BCBDRO CN(CC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000420389330 192234983 /nfs/dbraw/zinc/23/49/83/192234983.db2.gz YBJFEXOYUTZTCY-UHFFFAOYSA-N 1 0 239.275 0.864 20 5 BCBDRO C[C@H]1CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000389723202 356930593 /nfs/dbraw/zinc/93/05/93/356930593.db2.gz INZXCLMEDOTLAL-IONNQARKSA-N 1 0 237.263 0.795 20 5 BCBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000212740944 358213378 /nfs/dbraw/zinc/21/33/78/358213378.db2.gz XHMNVHKXESDEKP-UHFFFAOYSA-N 1 0 237.263 0.573 20 5 BCBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000430916180 192897759 /nfs/dbraw/zinc/89/77/59/192897759.db2.gz GQBPOXWUCGWWSV-VIFPVBQESA-N 1 0 239.279 0.085 20 5 BCBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000574275703 365024397 /nfs/dbraw/zinc/02/43/97/365024397.db2.gz NNJPLZQQJZSROH-LURJTMIESA-N 1 0 241.251 0.031 20 5 BCBDRO CC[N@H+](C)C[C@@H](O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000581022044 367240194 /nfs/dbraw/zinc/24/01/94/367240194.db2.gz JJTIHKLXMVIYHF-SECBINFHSA-N 1 0 242.279 0.412 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH3+] ZINC000111303045 368855068 /nfs/dbraw/zinc/85/50/68/368855068.db2.gz CYHIELMPVMZAHG-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000087383684 181448047 /nfs/dbraw/zinc/44/80/47/181448047.db2.gz SSDJJAZXEJKFRV-QMMMGPOBSA-N 1 0 238.247 0.390 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111301823 370125802 /nfs/dbraw/zinc/12/58/02/370125802.db2.gz PVHKJKKMIRQYPI-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000041028616 181578655 /nfs/dbraw/zinc/57/86/55/181578655.db2.gz MPENJHUVTMANEN-SSDOTTSWSA-N 1 0 238.247 0.486 20 5 BCBDRO Cn1cc(CNCC2([NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000603428633 371893970 /nfs/dbraw/zinc/89/39/70/371893970.db2.gz KRWNZZWYIULYQQ-UHFFFAOYSA-N 1 0 239.279 0.299 20 5 BCBDRO CN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000603431417 371895645 /nfs/dbraw/zinc/89/56/45/371895645.db2.gz WWIZNOHWQXFQKQ-UHFFFAOYSA-N 1 0 241.295 0.497 20 5 BCBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000037116576 182116567 /nfs/dbraw/zinc/11/65/67/182116567.db2.gz CSSXJTQDVJXVKW-UHFFFAOYSA-N 1 0 238.247 0.405 20 5 BCBDRO CC(C)([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000040922665 373921183 /nfs/dbraw/zinc/92/11/83/373921183.db2.gz LEWVITRRCBQQTJ-UHFFFAOYSA-N 1 0 237.259 0.948 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH3+] ZINC000041067608 374104246 /nfs/dbraw/zinc/10/42/46/374104246.db2.gz KAYMDQFXPMHXBZ-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000062116735 182258309 /nfs/dbraw/zinc/25/83/09/182258309.db2.gz CJGFQDAGIPTUPL-JTQLQIEISA-N 1 0 249.270 0.821 20 5 BCBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000071397097 182329125 /nfs/dbraw/zinc/32/91/25/182329125.db2.gz SOLIWMVDUHAEDZ-ZETCQYMHSA-N 1 0 238.247 0.405 20 5 BCBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052092910 182336756 /nfs/dbraw/zinc/33/67/56/182336756.db2.gz FKYNVJWPHHCUMW-LURJTMIESA-N 1 0 224.220 0.015 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1CC1CC[NH2+]CC1 ZINC000057871199 183001341 /nfs/dbraw/zinc/00/13/41/183001341.db2.gz GMHWFOGVRMMJII-UHFFFAOYSA-N 1 0 237.259 0.756 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111302878 383850054 /nfs/dbraw/zinc/85/00/54/383850054.db2.gz BEMQDQUPWANBMR-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111303031 383850711 /nfs/dbraw/zinc/85/07/11/383850711.db2.gz AHLSFUNHXKWCKR-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000050228277 383976149 /nfs/dbraw/zinc/97/61/49/383976149.db2.gz FXLJQRAFERGZBH-SECBINFHSA-N 1 0 235.243 0.768 20 5 BCBDRO CN(CC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000310196589 384095866 /nfs/dbraw/zinc/09/58/66/384095866.db2.gz AOSIDHJAHVKORT-UHFFFAOYSA-N 1 0 239.279 0.570 20 5 BCBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000340223894 384136622 /nfs/dbraw/zinc/13/66/22/384136622.db2.gz UGQKHYSCPGOAER-NSHDSACASA-N 1 0 249.270 0.915 20 5 BCBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000148803270 384407390 /nfs/dbraw/zinc/40/73/90/384407390.db2.gz YPJYQZIHYBFQII-ZETCQYMHSA-N 1 0 240.263 0.508 20 5 BCBDRO C[C@H]([NH3+])Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000573203794 384461525 /nfs/dbraw/zinc/46/15/25/384461525.db2.gz XDDIKAAGIBAROW-YFKPBYRVSA-N 1 0 215.184 0.243 20 5 BCBDRO C[NH2+][C@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000261545674 384554602 /nfs/dbraw/zinc/55/46/02/384554602.db2.gz GGZQZRVCQJXWAH-MRVPVSSYSA-N 1 0 237.259 0.933 20 5 BCBDRO CC[NH2+][C@H](C)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000564949124 384590296 /nfs/dbraw/zinc/59/02/96/384590296.db2.gz UONIOIRKRAAZTC-ZCFIWIBFSA-N 1 0 241.251 0.046 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262512361 384669911 /nfs/dbraw/zinc/66/99/11/384669911.db2.gz DSFNKZLSFLPFRS-LURJTMIESA-N 1 0 238.247 0.254 20 5 BCBDRO Cc1c(CC(=O)NCC[NH3+])cccc1[N+](=O)[O-] ZINC000516568747 385123030 /nfs/dbraw/zinc/12/30/30/385123030.db2.gz XIIBFMIQIYMWAS-UHFFFAOYSA-N 1 0 237.259 0.521 20 5 BCBDRO C[C@@H]1C[C@H](O)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000340909875 385361420 /nfs/dbraw/zinc/36/14/20/385361420.db2.gz NZGUNFWLKTYDPA-SFYZADRCSA-N 1 0 240.263 0.283 20 5 BCBDRO O=[N+]([O-])c1ccnn1CC1CC[NH2+]CC1 ZINC000567809338 385658083 /nfs/dbraw/zinc/65/80/83/385658083.db2.gz QANJJSQEKUXWQV-UHFFFAOYSA-N 1 0 210.237 0.791 20 5 BCBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000129177075 385740141 /nfs/dbraw/zinc/74/01/41/385740141.db2.gz ARLWQMRTKACADE-ZETCQYMHSA-N 1 0 238.247 0.390 20 5 BCBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261556714 385819565 /nfs/dbraw/zinc/81/95/65/385819565.db2.gz QWTBNCLXMFNRTD-QMMMGPOBSA-N 1 0 237.259 0.933 20 5 BCBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000129228678 386066654 /nfs/dbraw/zinc/06/66/54/386066654.db2.gz GRCRLYZLNOSEGT-ZETCQYMHSA-N 1 0 239.231 0.655 20 5 BCBDRO C[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237401103 386785013 /nfs/dbraw/zinc/78/50/13/386785013.db2.gz HFPWCWPSQGHRQQ-QMMMGPOBSA-N 1 0 237.259 0.601 20 5 BCBDRO O=[N+]([O-])c1cnn(CCN2CCC[NH2+]CC2)c1 ZINC000430652888 387022608 /nfs/dbraw/zinc/02/26/08/387022608.db2.gz XXNWTKZVMLNRNX-UHFFFAOYSA-N 1 0 239.279 0.087 20 5 BCBDRO [NH3+]CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237850556 387313392 /nfs/dbraw/zinc/31/33/92/387313392.db2.gz QTYPGXDUAQEWBT-UHFFFAOYSA-N 1 0 249.270 0.828 20 5 BCBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000132833240 388369251 /nfs/dbraw/zinc/36/92/51/388369251.db2.gz VPDNRVWNGXITOT-UHFFFAOYSA-N 1 0 227.220 0.655 20 5 BCBDRO CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cn1 ZINC000273672111 388628611 /nfs/dbraw/zinc/62/86/11/388628611.db2.gz XVOUEGACALJTBY-UHFFFAOYSA-N 1 0 225.252 0.383 20 5 BCBDRO C[NH+](C)C1CN(c2ncccc2[N+](=O)[O-])C1 ZINC000301882671 388695865 /nfs/dbraw/zinc/69/58/65/388695865.db2.gz IUFCLBCQGRTVBR-UHFFFAOYSA-N 1 0 222.248 0.740 20 5 BCBDRO [NH3+]C[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000430568404 388728165 /nfs/dbraw/zinc/72/81/65/388728165.db2.gz KKPBCEVHMGVPNG-SECBINFHSA-N 1 0 239.279 0.214 20 5 BCBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000082578847 388729004 /nfs/dbraw/zinc/72/90/04/388729004.db2.gz YVSOGKZMHJEWBG-LURJTMIESA-N 1 0 226.236 0.390 20 5 BCBDRO CC(C)[C@@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000156427609 388808461 /nfs/dbraw/zinc/80/84/61/388808461.db2.gz MWQMJZSEOGOYOF-SECBINFHSA-N 1 0 242.279 0.398 20 5 BCBDRO CC(C)([NH3+])CNc1ncc([N+](=O)[O-])cn1 ZINC000168409176 134198268 /nfs/dbraw/zinc/19/82/68/134198268.db2.gz SSTJHRQILDLHPI-UHFFFAOYSA-N 1 0 211.225 0.534 20 5 BCBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000148797905 134447892 /nfs/dbraw/zinc/44/78/92/134447892.db2.gz RKKAAOPLYATZHN-ZETCQYMHSA-N 1 0 241.247 0.773 20 5 BCBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000070447164 134918734 /nfs/dbraw/zinc/91/87/34/134918734.db2.gz YQBAUWWZYBZXMS-MRVPVSSYSA-N 1 0 240.263 0.636 20 5 BCBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000070446938 134919328 /nfs/dbraw/zinc/91/93/28/134919328.db2.gz MVHSRFCUESUKEP-ZETCQYMHSA-N 1 0 240.263 0.636 20 5 BCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH3+] ZINC000262541436 135305052 /nfs/dbraw/zinc/30/50/52/135305052.db2.gz SATQAWKDDUAMPC-LURJTMIESA-N 1 0 238.247 0.375 20 5 BCBDRO C[C@@]1(O)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177985213 398103268 /nfs/dbraw/zinc/10/32/68/398103268.db2.gz QTYHHQIMXTXJNR-SNVBAGLBSA-N 1 0 240.263 0.248 20 5 BCBDRO C[C@H]([NH3+])CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000591437880 410743369 /nfs/dbraw/zinc/74/33/69/410743369.db2.gz PYKWLMONQQORNA-ZETCQYMHSA-N 1 0 247.258 1.297 20 5 BCBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000054263455 170115617 /nfs/dbraw/zinc/11/56/17/170115617.db2.gz ATWSJSOOXHNZIF-UHFFFAOYSA-N 1 0 243.288 0.996 20 5 BCBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC1 ZINC000356745077 411661738 /nfs/dbraw/zinc/66/17/38/411661738.db2.gz PCVIAGAIIDEYHX-UHFFFAOYSA-N 1 0 236.275 1.416 20 5 BCBDRO Cc1nc(NC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000420170286 411774757 /nfs/dbraw/zinc/77/47/57/411774757.db2.gz XIYCNMOYVHQXDU-MRVPVSSYSA-N 1 0 237.263 0.857 20 5 BCBDRO Cc1nc(NC[C@@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000420170292 411775172 /nfs/dbraw/zinc/77/51/72/411775172.db2.gz XIYCNMOYVHQXDU-QMMMGPOBSA-N 1 0 237.263 0.857 20 5 BCBDRO C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273611575 173019028 /nfs/dbraw/zinc/01/90/28/173019028.db2.gz MAJOYTOVYHSRDC-UHFFFAOYSA-N 1 0 237.263 0.527 20 5 BCBDRO COCCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174834297 174217048 /nfs/dbraw/zinc/21/70/48/174217048.db2.gz TZFFQYCECKINAT-UHFFFAOYSA-N 1 0 242.279 0.760 20 5 BCBDRO COc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000019276037 175060397 /nfs/dbraw/zinc/06/03/97/175060397.db2.gz YJKRTNUPJRVSPM-UHFFFAOYSA-N 1 0 239.231 0.292 20 5 BCBDRO Cc1c(C(=O)N(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000054417454 177560361 /nfs/dbraw/zinc/56/03/61/177560361.db2.gz QIQNBWSLZSINRT-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000394472641 323037260 /nfs/dbraw/zinc/03/72/60/323037260.db2.gz NLIRDSRTWFGMLS-BQBZGAKWSA-N 1 0 240.263 0.399 20 5 BCBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000397215333 323665191 /nfs/dbraw/zinc/66/51/91/323665191.db2.gz CDCJODPDOUWFQM-UHFFFAOYSA-N 1 0 240.263 0.780 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000082576759 325543394 /nfs/dbraw/zinc/54/33/94/325543394.db2.gz MYKDVOQJKAQEKQ-LURJTMIESA-N 1 0 226.236 0.010 20 5 BCBDRO O=[N+]([O-])c1ccccc1C[NH2+]C(CO)CO ZINC000083692033 325573897 /nfs/dbraw/zinc/57/38/97/325573897.db2.gz JBVUDNRFPIMVAS-UHFFFAOYSA-N 1 0 226.232 0.038 20 5 BCBDRO C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176188682 536412958 /nfs/dbraw/zinc/41/29/58/536412958.db2.gz LRZVVWLTDPLIQA-UHFFFAOYSA-N 1 0 239.279 0.039 20 5 BCBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000855363964 588829517 /nfs/dbraw/zinc/82/95/17/588829517.db2.gz WXDSKCYZXAGAEL-OPRDCNLKSA-N 1 0 241.291 0.204 20 5 BCBDRO CC(C)[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])[NH+](C)C ZINC000813102234 582580145 /nfs/dbraw/zinc/58/01/45/582580145.db2.gz CGFNAUUPVMHAHT-DTWKUNHWSA-N 1 0 232.280 0.781 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnccn2)c1 ZINC000856773692 588877076 /nfs/dbraw/zinc/87/70/76/588877076.db2.gz PZQHZJFSNIGDTK-UHFFFAOYSA-N 1 0 248.246 0.371 20 5 BCBDRO CC[N@@H+]1CC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000895161649 583610433 /nfs/dbraw/zinc/61/04/33/583610433.db2.gz SOXKXRLFXWGGOT-QMMMGPOBSA-N 1 0 239.279 0.834 20 5 BCBDRO Cc1cc(C)n(CCC[NH2+]CC[N+](=O)[O-])n1 ZINC000899861129 584242713 /nfs/dbraw/zinc/24/27/13/584242713.db2.gz WGVOSGWEMKWRQF-UHFFFAOYSA-N 1 0 226.280 0.756 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000899871602 584244231 /nfs/dbraw/zinc/24/42/31/584244231.db2.gz SRGNNHOZUNGPBE-SNVBAGLBSA-N 1 0 240.259 0.293 20 5 BCBDRO COc1ccccc1[C@@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000899870732 584244252 /nfs/dbraw/zinc/24/42/52/584244252.db2.gz OMHBWOVOLUNGTM-JTQLQIEISA-N 1 0 240.259 0.595 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)COc1ccccc1 ZINC000899871600 584244757 /nfs/dbraw/zinc/24/47/57/584244757.db2.gz SRGNNHOZUNGPBE-JTQLQIEISA-N 1 0 240.259 0.293 20 5 BCBDRO C[C@@H]1CN(CCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC000899865058 584245475 /nfs/dbraw/zinc/24/54/75/584245475.db2.gz PIFKGFYRTSBFTB-PHIMTYICSA-N 1 0 245.323 0.352 20 5 BCBDRO C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644943 585204969 /nfs/dbraw/zinc/20/49/69/585204969.db2.gz FYFRKUWEWHEMOB-LDYMZIIASA-N 1 0 240.259 0.599 20 5 BCBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839582802 585330825 /nfs/dbraw/zinc/33/08/25/585330825.db2.gz SCQFTYKTCAKQTG-OPRDCNLKSA-N 1 0 243.307 0.498 20 5 BCBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839632626 585332963 /nfs/dbraw/zinc/33/29/63/585332963.db2.gz HROVZKWWAQLDGG-IVZWLZJFSA-N 1 0 241.291 0.204 20 5 BCBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839632594 585333000 /nfs/dbraw/zinc/33/30/00/585333000.db2.gz XAMUNRICHXXAON-IVZWLZJFSA-N 1 0 243.307 0.498 20 5 BCBDRO CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839681678 585337291 /nfs/dbraw/zinc/33/72/91/585337291.db2.gz XQVKGKXOUNTBSB-NXEZZACHSA-N 1 0 243.307 0.500 20 5 BCBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839716600 585338500 /nfs/dbraw/zinc/33/85/00/585338500.db2.gz DSYBCTMFIBORIN-AXTSPUMRSA-N 1 0 241.291 0.203 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761101491 585409509 /nfs/dbraw/zinc/40/95/09/585409509.db2.gz YRGNZZCBDJCIAD-DTWKUNHWSA-N 1 0 222.248 0.886 20 5 BCBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])C(C)(C)C1 ZINC000787728470 585914889 /nfs/dbraw/zinc/91/48/89/585914889.db2.gz FRFOSGTVXVYDSC-UHFFFAOYSA-N 1 0 201.270 0.289 20 5 BCBDRO COC(=O)[C@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000787728106 585915048 /nfs/dbraw/zinc/91/50/48/585915048.db2.gz BRWYHCMQTLESOZ-SECBINFHSA-N 1 0 216.237 0.148 20 5 BCBDRO CC(C)[C@@H](C(=O)OCCC[N+](=O)[O-])[NH+](C)C ZINC000860921647 589132549 /nfs/dbraw/zinc/13/25/49/589132549.db2.gz YZQCHXQXLGANJT-VIFPVBQESA-N 1 0 232.280 0.783 20 5 BCBDRO Cc1ccc(CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000867995810 589542907 /nfs/dbraw/zinc/54/29/07/589542907.db2.gz JHYRZMCUYZGKBX-UHFFFAOYSA-N 1 0 237.259 0.868 20 5 BCBDRO CC(C)[C@H](C[NH+](C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870565523 589676494 /nfs/dbraw/zinc/67/64/94/589676494.db2.gz VJNCJGATPSCKDD-BBBLOLIVSA-N 1 0 244.291 0.781 20 5 BCBDRO C[C@@H](CO)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877071028 590277509 /nfs/dbraw/zinc/27/75/09/590277509.db2.gz BVBWKOUFGIVFKQ-UEJVZZJDSA-N 1 0 240.263 0.465 20 5 BCBDRO [NH3+][C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886828152 592351689 /nfs/dbraw/zinc/35/16/89/592351689.db2.gz YHIFWAPHJGVYOB-JTQLQIEISA-N 1 0 236.275 0.913 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886827672 592351863 /nfs/dbraw/zinc/35/18/63/592351863.db2.gz PLXBVDTUBPLVRB-SECBINFHSA-N 1 0 236.275 0.784 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)C1 ZINC000892319648 632050083 /nfs/dbraw/zinc/05/00/83/632050083.db2.gz NYTSFQLQNULMOJ-MRVPVSSYSA-N 1 0 239.279 0.692 20 5 BCBDRO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000309675464 632639803 /nfs/dbraw/zinc/63/98/03/632639803.db2.gz LPPZWRGWPQBHQS-HTQZYQBOSA-N 1 0 229.280 0.156 20 5 BCBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](CC[N+](=O)[O-])CC2 ZINC000931621731 635132491 /nfs/dbraw/zinc/13/24/91/635132491.db2.gz DQXBGLZQOFOBAZ-KOLCDFICSA-N 1 0 242.275 0.681 20 5 BCBDRO C[NH+](C)C[C@H](O)CNc1ncccc1[N+](=O)[O-] ZINC000029587199 636440511 /nfs/dbraw/zinc/44/05/11/636440511.db2.gz QFFGXVVOAHMUJA-MRVPVSSYSA-N 1 0 240.263 0.324 20 5 BCBDRO C[C@@H](C[NH+]1CCCCC1)NCC[N+](=O)[O-] ZINC000905033993 637555028 /nfs/dbraw/zinc/55/50/28/637555028.db2.gz HEACYJCBRXVAMO-JTQLQIEISA-N 1 0 215.297 0.727 20 5 BCBDRO C[NH+](C)C1(CNCC[N+](=O)[O-])CCCC1 ZINC000905052036 637569023 /nfs/dbraw/zinc/56/90/23/637569023.db2.gz ZZGHJPRTEGDDOB-UHFFFAOYSA-N 1 0 215.297 0.727 20 5 BCBDRO O=[N+]([O-])CCNC1CC[NH+](C2CC2)CC1 ZINC000905032007 637577145 /nfs/dbraw/zinc/57/71/45/637577145.db2.gz ZHJXXIBCNXVXKR-UHFFFAOYSA-N 1 0 213.281 0.480 20 5 BCBDRO C[C@H](CNCC[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000905086232 637585854 /nfs/dbraw/zinc/58/58/54/637585854.db2.gz CABFCJWWCPYRFY-MRVPVSSYSA-N 1 0 201.270 0.335 20 5 BCBDRO COCCC[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905086204 637585983 /nfs/dbraw/zinc/58/59/83/637585983.db2.gz BJYAPTQIRLIUBV-UHFFFAOYSA-N 1 0 245.323 0.354 20 5 BCBDRO CC[C@@H](C)[N@H+](C)CCNCC[N+](=O)[O-] ZINC000905088813 637589524 /nfs/dbraw/zinc/58/95/24/637589524.db2.gz KMJVUTCNOUZPFG-SECBINFHSA-N 1 0 203.286 0.583 20 5 BCBDRO O=C1Nc2ccccc2[C@@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905065514 637598503 /nfs/dbraw/zinc/59/85/03/637598503.db2.gz PBYVVMGDRXATCZ-JTQLQIEISA-N 1 0 249.270 0.979 20 5 BCBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905121343 637626555 /nfs/dbraw/zinc/62/65/55/637626555.db2.gz MELADYISFPAGPJ-UWVGGRQHSA-N 1 0 243.307 0.500 20 5 BCBDRO C[S@@](=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905153742 637635478 /nfs/dbraw/zinc/63/54/78/637635478.db2.gz LHWGUEHPTRKBCQ-MRXNPFEDSA-N 1 0 242.300 0.790 20 5 BCBDRO CC(C)(C)NC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905098236 637636916 /nfs/dbraw/zinc/63/69/16/637636916.db2.gz RZKFZJFJOUYEOO-UHFFFAOYSA-N 1 0 217.269 0.158 20 5 BCBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905153481 637637323 /nfs/dbraw/zinc/63/73/23/637637323.db2.gz FMSAUELFMIYQHK-LYGAQUJYSA-N 1 0 248.348 0.933 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCO[C@H]1CCOC1 ZINC000905158807 637638170 /nfs/dbraw/zinc/63/81/70/637638170.db2.gz IZCGMBQEIDSUHX-VIFPVBQESA-N 1 0 218.253 0.048 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCO[C@@H]1CCOC1 ZINC000905158806 637639604 /nfs/dbraw/zinc/63/96/04/637639604.db2.gz IZCGMBQEIDSUHX-SECBINFHSA-N 1 0 218.253 0.048 20 5 BCBDRO C[C@@H]1C[C@@H](NCC[N+](=O)[O-])CC[N@@H+]1C ZINC000905140999 637649007 /nfs/dbraw/zinc/64/90/07/637649007.db2.gz XEAVINMZPHWFQC-BDAKNGLRSA-N 1 0 201.270 0.335 20 5 BCBDRO CC(C)(C)N1C[C@H]([NH2+]CC[N+](=O)[O-])CC1=O ZINC000905149157 637659368 /nfs/dbraw/zinc/65/93/68/637659368.db2.gz YIVPXEOJMFYQKR-MRVPVSSYSA-N 1 0 229.280 0.252 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOc1ncccc1F ZINC000905184228 637667158 /nfs/dbraw/zinc/66/71/58/637667158.db2.gz VRTPRPAPJORAAP-UHFFFAOYSA-N 1 0 229.211 0.466 20 5 BCBDRO CCC1(O)CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905195632 637673128 /nfs/dbraw/zinc/67/31/28/637673128.db2.gz OTNJTRNSFGNWQG-UHFFFAOYSA-N 1 0 216.281 0.936 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1ccn2ccnc2c1 ZINC000905163582 637675479 /nfs/dbraw/zinc/67/54/79/637675479.db2.gz AEUPSHGODSRXOU-UHFFFAOYSA-N 1 0 220.232 0.701 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOc1ncccc1Cl ZINC000905167236 637677657 /nfs/dbraw/zinc/67/76/57/637677657.db2.gz JLXFOXVVEAUXFM-UHFFFAOYSA-N 1 0 245.666 0.980 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000905174611 637683004 /nfs/dbraw/zinc/68/30/04/637683004.db2.gz LJTXDCOEPMRLHN-VIFPVBQESA-N 1 0 214.265 0.954 20 5 BCBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905229973 637690972 /nfs/dbraw/zinc/69/09/72/637690972.db2.gz DWSPHIZOPSSYNH-QMMMGPOBSA-N 1 0 247.295 0.766 20 5 BCBDRO CO[C@@H]1CCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905201096 637694392 /nfs/dbraw/zinc/69/43/92/637694392.db2.gz MRVZIBLTOXKNCP-DTWKUNHWSA-N 1 0 202.254 0.668 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCn2ccnc2C1 ZINC000905218761 637700248 /nfs/dbraw/zinc/70/02/48/637700248.db2.gz OXLQFNWZIRJHBE-MRVPVSSYSA-N 1 0 210.237 0.064 20 5 BCBDRO CC(C)[N@H+](C)C[C@@H](C)NCC[N+](=O)[O-] ZINC000905264485 637718056 /nfs/dbraw/zinc/71/80/56/637718056.db2.gz RZVPYRLSMIENOO-SECBINFHSA-N 1 0 203.286 0.581 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCC[C@@H]1CCOC1 ZINC000905278817 637735898 /nfs/dbraw/zinc/73/58/98/637735898.db2.gz HJJABGBAIUHUKW-SECBINFHSA-N 1 0 202.254 0.669 20 5 BCBDRO Cc1cccc([C@H](O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905361494 637779214 /nfs/dbraw/zinc/77/92/14/637779214.db2.gz PLRQUZRECNGVOX-LLVKDONJSA-N 1 0 224.260 0.895 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000905340956 637782250 /nfs/dbraw/zinc/78/22/50/637782250.db2.gz KKMCLXATXUNUSX-JTQLQIEISA-N 1 0 228.223 0.725 20 5 BCBDRO CC(C)CC[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905389346 637785941 /nfs/dbraw/zinc/78/59/41/637785941.db2.gz JWVADJDYUIZSSG-SECBINFHSA-N 1 0 204.270 0.650 20 5 BCBDRO CC(C)[C@@H](O)C1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905363922 637788090 /nfs/dbraw/zinc/78/80/90/637788090.db2.gz AASGKIHWHNOIQJ-SECBINFHSA-N 1 0 216.281 0.650 20 5 BCBDRO CC(C)[C@H](O)C1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905363923 637788318 /nfs/dbraw/zinc/78/83/18/637788318.db2.gz AASGKIHWHNOIQJ-VIFPVBQESA-N 1 0 216.281 0.650 20 5 BCBDRO CCC[C@H](CCO)C[NH2+]CC[N+](=O)[O-] ZINC000905366792 637789523 /nfs/dbraw/zinc/78/95/23/637789523.db2.gz VJKCYLHZDBGGHN-SECBINFHSA-N 1 0 204.270 0.651 20 5 BCBDRO CCC[C@@H](CCO)C[NH2+]CC[N+](=O)[O-] ZINC000905366793 637790024 /nfs/dbraw/zinc/79/00/24/637790024.db2.gz VJKCYLHZDBGGHN-VIFPVBQESA-N 1 0 204.270 0.651 20 5 BCBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)C(F)F ZINC000905372310 637791831 /nfs/dbraw/zinc/79/18/31/637791831.db2.gz JLLAKMUKBVCYSL-WDSKDSINSA-N 1 0 212.196 0.257 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000905403317 637797260 /nfs/dbraw/zinc/79/72/60/637797260.db2.gz BCLOMTPQOPWSMF-QWRGUYRKSA-N 1 0 228.292 0.915 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000905471523 637830634 /nfs/dbraw/zinc/83/06/34/637830634.db2.gz CBCNKJGJPGYHMC-SECBINFHSA-N 1 0 214.265 0.812 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000905568020 637848423 /nfs/dbraw/zinc/84/84/23/637848423.db2.gz HZCUSQXTPKQFJM-AEJSXWLSSA-N 1 0 212.249 0.444 20 5 BCBDRO CN(C)[C@H](CC[NH2+]CC[N+](=O)[O-])C(F)(F)F ZINC000905574818 637851058 /nfs/dbraw/zinc/85/10/58/637851058.db2.gz CPRPWPRUQSPYCQ-SSDOTTSWSA-N 1 0 243.229 0.735 20 5 BCBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]CC[N+](=O)[O-])C[C@@H]2O1 ZINC000905600891 637852531 /nfs/dbraw/zinc/85/25/31/637852531.db2.gz AAJOFYCMSKKMAN-PSVAKVPMSA-N 1 0 230.264 0.535 20 5 BCBDRO C[C@@H]1OCC[C@@]12CN(CC[N+](=O)[O-])C[C@@H](C)O2 ZINC000930268762 639672189 /nfs/dbraw/zinc/67/21/89/639672189.db2.gz RDHRIMQMVKECOT-OUAUKWLOSA-N 1 0 244.291 0.531 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000930366758 639733353 /nfs/dbraw/zinc/73/33/53/639733353.db2.gz YMLNDMPVVMUDLU-VHSXEESVSA-N 1 0 214.265 0.907 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000930563855 639811618 /nfs/dbraw/zinc/81/16/18/639811618.db2.gz IOLSCWJOJLWJSS-LBPRGKRZSA-N 1 0 238.287 0.799 20 5 BCBDRO CCNC(=O)[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000930571474 639812415 /nfs/dbraw/zinc/81/24/15/639812415.db2.gz YNDVYGADEOZUSH-QMMMGPOBSA-N 1 0 217.269 0.013 20 5 BCBDRO CC(C)[C@]1(CO)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930584801 639814382 /nfs/dbraw/zinc/81/43/82/639814382.db2.gz PJMGBZSPZYGSMT-LLVKDONJSA-N 1 0 230.308 0.994 20 5 BCBDRO COC[C@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930603556 639817561 /nfs/dbraw/zinc/81/75/61/639817561.db2.gz JMJQPAMNPLOGGK-SECBINFHSA-N 1 0 202.254 0.622 20 5 BCBDRO CC[C@H](C)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000930654278 639846140 /nfs/dbraw/zinc/84/61/40/639846140.db2.gz LWXMTYMUIPBSKJ-JTQLQIEISA-N 1 0 215.297 0.679 20 5 BCBDRO CC[C@@H]1C[N@H+](CC)CCN1CC[N+](=O)[O-] ZINC000930653779 639846316 /nfs/dbraw/zinc/84/63/16/639846316.db2.gz ZNLRBNREYSWVFH-SNVBAGLBSA-N 1 0 215.297 0.679 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1(CO)CCSCC1 ZINC000930698142 639865656 /nfs/dbraw/zinc/86/56/56/639865656.db2.gz WXFBRMPCXCVLLS-UHFFFAOYSA-N 1 0 220.294 0.111 20 5 BCBDRO CO[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC000930700129 639865947 /nfs/dbraw/zinc/86/59/47/639865947.db2.gz PPGBKICPNLLMGA-IUCAKERBSA-N 1 0 214.265 0.810 20 5 BCBDRO COC1([C@@H](C)[NH2+]CC[N+](=O)[O-])CCC1 ZINC000930723282 639880323 /nfs/dbraw/zinc/88/03/23/639880323.db2.gz XLFIIFVZWSKQKE-MRVPVSSYSA-N 1 0 202.254 0.810 20 5 BCBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930740857 639889914 /nfs/dbraw/zinc/88/99/14/639889914.db2.gz WSYCKJYQTNRIQP-RKDXNWHRSA-N 1 0 202.254 0.356 20 5 BCBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000930852732 639947183 /nfs/dbraw/zinc/94/71/83/639947183.db2.gz MNKOTECJLQSHBH-SECBINFHSA-N 1 0 202.254 0.764 20 5 BCBDRO COCC[N@@H+]1CCN(CC[N+](=O)[O-])C(C)(C)C1 ZINC000930863660 639955982 /nfs/dbraw/zinc/95/59/82/639955982.db2.gz PQNDYHGPWWQGGB-UHFFFAOYSA-N 1 0 245.323 0.306 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1CO ZINC000930866575 639958323 /nfs/dbraw/zinc/95/83/23/639958323.db2.gz DANZLQHFASKMPB-VIFPVBQESA-N 1 0 202.254 0.500 20 5 BCBDRO COC(=O)[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1C1CC1 ZINC000930866017 639959276 /nfs/dbraw/zinc/95/92/76/639959276.db2.gz GREMZTLSAGSDQH-VHSXEESVSA-N 1 0 242.275 0.394 20 5 BCBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930965546 639993262 /nfs/dbraw/zinc/99/32/62/639993262.db2.gz NFUVTMQEPXBWHA-UWVGGRQHSA-N 1 0 216.281 0.746 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000931021735 640026080 /nfs/dbraw/zinc/02/60/80/640026080.db2.gz KFXFDCQCQUDQDS-SFYZADRCSA-N 1 0 200.238 0.156 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000931504653 640237338 /nfs/dbraw/zinc/23/73/38/640237338.db2.gz JJHOAWUFGPDXDM-VWYCJHECSA-N 1 0 228.292 0.889 20 5 BCBDRO C[N@@H+]1CC[C@@H]2CN(CC[N+](=O)[O-])CC[C@H]21 ZINC000931545170 640265292 /nfs/dbraw/zinc/26/52/92/640265292.db2.gz BDJFBKFNLXWQAG-NXEZZACHSA-N 1 0 213.281 0.289 20 5 BCBDRO COCC[N@H+](CC[N+](=O)[O-])C1CCOCC1 ZINC000931562138 640274549 /nfs/dbraw/zinc/27/45/49/640274549.db2.gz BMRFALOERWEBCX-UHFFFAOYSA-N 1 0 232.280 0.391 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000931756974 640353467 /nfs/dbraw/zinc/35/34/67/640353467.db2.gz MJHXBMCJUKJVSJ-UHFFFAOYSA-N 1 0 228.292 0.938 20 5 BCBDRO C[NH+](C)C[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000029587168 640354790 /nfs/dbraw/zinc/35/47/90/640354790.db2.gz IMBPFIMUMGPKKR-VIFPVBQESA-N 1 0 239.275 0.929 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934381139 641135648 /nfs/dbraw/zinc/13/56/48/641135648.db2.gz MVQFCGONXNAFKM-SECBINFHSA-N 1 0 214.265 0.954 20 5 BCBDRO C[N@@H+]1CCC[C@@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000916832541 641979743 /nfs/dbraw/zinc/97/97/43/641979743.db2.gz RGRCEKSXGIWWSG-SECBINFHSA-N 1 0 237.259 0.851 20 5 BCBDRO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090282197 643126731 /nfs/dbraw/zinc/12/67/31/643126731.db2.gz RTONMFMKKNKTRV-LDYMZIIASA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@@H]([NH2+]C[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282428 643130073 /nfs/dbraw/zinc/13/00/73/643130073.db2.gz VUFZORXZPQNCPX-LDYMZIIASA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@@H]([NH3+])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015964 643577379 /nfs/dbraw/zinc/57/73/79/643577379.db2.gz AFSLXCLHNGASEK-MRVPVSSYSA-N 1 0 237.259 0.948 20 5 BCBDRO Cc1cnc(N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000085427002 644441756 /nfs/dbraw/zinc/44/17/56/644441756.db2.gz PLURCFLIAFDEQE-UHFFFAOYSA-N 1 0 210.237 0.693 20 5 BCBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000087383680 644491242 /nfs/dbraw/zinc/49/12/42/644491242.db2.gz BKGZUNYLHXFXTF-VIFPVBQESA-N 1 0 238.247 0.390 20 5 BCBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCC1 ZINC000839519942 644558029 /nfs/dbraw/zinc/55/80/29/644558029.db2.gz ORBXTUZXGDKMBW-IVZWLZJFSA-N 1 0 241.291 0.252 20 5 BCBDRO COCC[N@H+](CC[N+](=O)[O-])CC(C)C ZINC000929275680 646054796 /nfs/dbraw/zinc/05/47/96/646054796.db2.gz XULVVHMLPCNFOW-UHFFFAOYSA-N 1 0 204.270 0.868 20 5 BCBDRO Cn1nccc1[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929293367 646068516 /nfs/dbraw/zinc/06/85/16/646068516.db2.gz FUNFKVBRRQCZCJ-SNVBAGLBSA-N 1 0 238.291 0.876 20 5 BCBDRO CN(CC[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000929630723 646211719 /nfs/dbraw/zinc/21/17/19/646211719.db2.gz FWWXRBGRIYGNLF-UHFFFAOYSA-N 1 0 201.270 0.291 20 5 BCBDRO CC1(C)C[N@H+](CC[N+](=O)[O-])CCCO1 ZINC000929669170 646232321 /nfs/dbraw/zinc/23/23/21/646232321.db2.gz SGZBVAGFRVXGGV-UHFFFAOYSA-N 1 0 202.254 0.764 20 5 BCBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929686365 646242261 /nfs/dbraw/zinc/24/22/61/646242261.db2.gz UBMPWKKBEMAVFC-UWVGGRQHSA-N 1 0 216.281 0.889 20 5 BCBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929686366 646242739 /nfs/dbraw/zinc/24/27/39/646242739.db2.gz UBMPWKKBEMAVFC-VHSXEESVSA-N 1 0 216.281 0.889 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000929727077 646278062 /nfs/dbraw/zinc/27/80/62/646278062.db2.gz XHGSHSWCHGYBPE-LLVKDONJSA-N 1 0 243.307 0.060 20 5 BCBDRO C[N@@H+]1CCC[C@H]2CN(CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842406 646352317 /nfs/dbraw/zinc/35/23/17/646352317.db2.gz CUCXHSCTFPDBFI-QWRGUYRKSA-N 1 0 227.308 0.679 20 5 BCBDRO CC(C)[NH2+][C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929969248 646382272 /nfs/dbraw/zinc/38/22/72/646382272.db2.gz JKJXSJGASOXEKI-JTQLQIEISA-N 1 0 215.297 0.726 20 5 BCBDRO CC[C@](C)(CC(=O)OC)[NH2+]CC[N+](=O)[O-] ZINC000930029440 646403103 /nfs/dbraw/zinc/40/31/03/646403103.db2.gz VNNTZLDQYYSJCS-SECBINFHSA-N 1 0 218.253 0.585 20 5 BCBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC[N+](=O)[O-] ZINC000930104639 646436709 /nfs/dbraw/zinc/43/67/09/646436709.db2.gz CQJQQCRSELSTOL-ONGXEEELSA-N 1 0 244.291 0.975 20 5 BCBDRO C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000930163684 646468258 /nfs/dbraw/zinc/46/82/58/646468258.db2.gz VAEZFCVXOYJVDK-BDAKNGLRSA-N 1 0 201.270 0.288 20 5 BCBDRO Cc1ccc(C[NH2+]C(CO)CO)cc1[N+](=O)[O-] ZINC000087751313 488175778 /nfs/dbraw/zinc/17/57/78/488175778.db2.gz QBNSHVLQAZTTJF-UHFFFAOYSA-N 1 0 240.259 0.346 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH3+] ZINC000044747726 178271318 /nfs/dbraw/zinc/27/13/18/178271318.db2.gz WLPWJCVXKYQUPA-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO Cc1c(Cn2nnnc2C[NH3+])cccc1[N+](=O)[O-] ZINC000231886270 342741631 /nfs/dbraw/zinc/74/16/31/342741631.db2.gz FJUQEPVBYXCQNV-UHFFFAOYSA-N 1 0 248.246 0.397 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1CO ZINC000355931264 136266243 /nfs/dbraw/zinc/26/62/43/136266243.db2.gz OPWVEWXVSKUAAK-QMMMGPOBSA-N 1 0 240.263 0.285 20 5 BCBDRO C[NH2+]CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000088036524 136284131 /nfs/dbraw/zinc/28/41/31/136284131.db2.gz ZFJBAHZPINPGQD-UHFFFAOYSA-N 1 0 210.237 0.930 20 5 BCBDRO C[C@@H]1CN(C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000408220743 344255375 /nfs/dbraw/zinc/25/53/75/344255375.db2.gz ZCMUVQIEFWNNKN-MRVPVSSYSA-N 1 0 237.263 0.525 20 5 BCBDRO NC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152428385 344559317 /nfs/dbraw/zinc/55/93/17/344559317.db2.gz HETWHMUQKCZLKQ-UHFFFAOYSA-N 1 0 249.270 0.745 20 5 BCBDRO [NH3+]CCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000158182326 344561301 /nfs/dbraw/zinc/56/13/01/344561301.db2.gz UWWQIHBFWYJECW-UHFFFAOYSA-N 1 0 247.258 0.736 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000082573568 345436960 /nfs/dbraw/zinc/43/69/60/345436960.db2.gz QHMLSQYUIZRIDR-RXMQYKEDSA-N 1 0 213.193 0.265 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111302016 347412773 /nfs/dbraw/zinc/41/27/73/347412773.db2.gz QWDTUYWREWRIAP-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1C[C@H]1CC[NH2+]C1 ZINC000592156170 347745013 /nfs/dbraw/zinc/74/50/13/347745013.db2.gz IGPYLYYBBXVFOP-QMMMGPOBSA-N 1 0 223.232 0.366 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1CC[C@H]1CC[NH2+]C1 ZINC000592156629 347745508 /nfs/dbraw/zinc/74/55/08/347745508.db2.gz OTVHRGTWANPZAL-SECBINFHSA-N 1 0 237.259 0.756 20 5 BCBDRO O=[N+]([O-])c1ncccc1OC[C@@H]1CC[NH2+]C1 ZINC000592157491 347746098 /nfs/dbraw/zinc/74/60/98/347746098.db2.gz ASAPZFYFQXCRIP-MRVPVSSYSA-N 1 0 223.232 0.978 20 5 BCBDRO Cc1nn(C[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592165190 347746588 /nfs/dbraw/zinc/74/65/88/347746588.db2.gz BFEHODKVUUACOO-QMMMGPOBSA-N 1 0 210.237 0.709 20 5 BCBDRO C[C@H](CCO)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593107711 347859926 /nfs/dbraw/zinc/85/99/26/347859926.db2.gz NEMSPYNIRFWSBV-SECBINFHSA-N 1 0 242.279 0.494 20 5 BCBDRO C[C@H](CCO)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593107024 347859792 /nfs/dbraw/zinc/85/97/92/347859792.db2.gz DQPXHKFYFFAVNN-SECBINFHSA-N 1 0 242.279 0.494 20 5 BCBDRO Cc1noc(C[NH2+][C@H](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000595430270 348248463 /nfs/dbraw/zinc/24/84/63/348248463.db2.gz UFMKVKTYJQTLDZ-RNFRBKRXSA-N 1 0 243.263 0.998 20 5 BCBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000595961253 348405277 /nfs/dbraw/zinc/40/52/77/348405277.db2.gz JYUMFVVWSBZVLI-UHFFFAOYSA-N 1 0 240.263 0.732 20 5 BCBDRO Nc1ccc(N2CC3CC2(C[NH3+])C3)nc1[N+](=O)[O-] ZINC000596013272 348430070 /nfs/dbraw/zinc/43/00/70/348430070.db2.gz HMKWAONGGHBWIT-UHFFFAOYSA-N 1 0 249.274 0.500 20 5 BCBDRO Nc1ccc(N2CCC[NH2+]CC2)nc1[N+](=O)[O-] ZINC000596015669 348430632 /nfs/dbraw/zinc/43/06/32/348430632.db2.gz GGQWTSIHAGBFMM-UHFFFAOYSA-N 1 0 237.263 0.372 20 5 BCBDRO C[NH+](C)CC1CN(c2ncccc2[N+](=O)[O-])C1 ZINC000596248349 348472633 /nfs/dbraw/zinc/47/26/33/348472633.db2.gz WDAFOQJMJDDTHU-UHFFFAOYSA-N 1 0 236.275 0.988 20 5 BCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccncc3[N+](=O)[O-])C[C@H]21 ZINC000599082880 349096122 /nfs/dbraw/zinc/09/61/22/349096122.db2.gz CZJWNXPNIHWOHN-GDGBQDQQSA-N 1 0 248.286 0.986 20 5 BCBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])n1C ZINC000122222943 362947189 /nfs/dbraw/zinc/94/71/89/362947189.db2.gz HZYJMTFANFCUIR-UHFFFAOYSA-N 1 0 240.263 0.354 20 5 BCBDRO Cc1c(CNC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000231855942 351411859 /nfs/dbraw/zinc/41/18/59/351411859.db2.gz JQOUHQWJPLONSY-UHFFFAOYSA-N 1 0 237.259 0.868 20 5 BCBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000422845561 192485915 /nfs/dbraw/zinc/48/59/15/192485915.db2.gz CGPLPQKVKNDHIJ-ZCFIWIBFSA-N 1 0 241.251 0.031 20 5 BCBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000048036981 181270907 /nfs/dbraw/zinc/27/09/07/181270907.db2.gz NUHSMJVVIVHCHX-SNVBAGLBSA-N 1 0 249.270 0.902 20 5 BCBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048041295 181282551 /nfs/dbraw/zinc/28/25/51/181282551.db2.gz WIUJSRAIZBMEQS-JTQLQIEISA-N 1 0 249.270 0.902 20 5 BCBDRO Cc1cc(C(=O)NCCC[NH3+])ccc1[N+](=O)[O-] ZINC000019477922 356496356 /nfs/dbraw/zinc/49/63/56/356496356.db2.gz LIABSQJRMAWVLK-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]1 ZINC000384785868 356746172 /nfs/dbraw/zinc/74/61/72/356746172.db2.gz NIXNKHKDHQVHAD-SNVBAGLBSA-N 1 0 235.243 0.573 20 5 BCBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC([NH3+])C1 ZINC000384875285 356788875 /nfs/dbraw/zinc/78/88/75/356788875.db2.gz PMSOIXWVNPCFDJ-UHFFFAOYSA-N 1 0 239.231 0.750 20 5 BCBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H](F)C2)c1 ZINC000451182118 202370070 /nfs/dbraw/zinc/37/00/70/202370070.db2.gz GTHGPJOFKGJSNN-MRVPVSSYSA-N 1 0 228.227 0.835 20 5 BCBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000079617791 370679819 /nfs/dbraw/zinc/67/98/19/370679819.db2.gz WBWAZYLDIKFVDK-IUCAKERBSA-N 1 0 234.259 0.645 20 5 BCBDRO Cc1n[nH]c(C(=O)NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000429036255 201060559 /nfs/dbraw/zinc/06/05/59/201060559.db2.gz RKNRHFXSIAMGLW-RXMQYKEDSA-N 1 0 241.251 0.093 20 5 BCBDRO Cc1c(C[NH2+]CCC(N)=O)cccc1[N+](=O)[O-] ZINC000036747213 361394062 /nfs/dbraw/zinc/39/40/62/361394062.db2.gz UVSSQVMLSAXKMM-UHFFFAOYSA-N 1 0 237.259 0.868 20 5 BCBDRO [NH3+]CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676240 181351915 /nfs/dbraw/zinc/35/19/15/181351915.db2.gz NAQSLHNBKLVKEG-UHFFFAOYSA-N 1 0 223.232 0.212 20 5 BCBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCCO)cs1 ZINC000037472342 364053638 /nfs/dbraw/zinc/05/36/38/364053638.db2.gz HJKNOWJQMCPLKM-UHFFFAOYSA-N 1 0 246.288 0.755 20 5 BCBDRO Nc1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000262474890 181382480 /nfs/dbraw/zinc/38/24/80/181382480.db2.gz MWTDWVJCDKXFNR-UHFFFAOYSA-N 1 0 238.247 0.256 20 5 BCBDRO CC(C)[C@H]([NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000574275705 365024744 /nfs/dbraw/zinc/02/47/44/365024744.db2.gz NNJPLZQQJZSROH-ZCFIWIBFSA-N 1 0 241.251 0.031 20 5 BCBDRO [NH3+]CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013834263 181395280 /nfs/dbraw/zinc/39/52/80/181395280.db2.gz KRQFKQAPJZZNNT-UHFFFAOYSA-N 1 0 209.205 0.283 20 5 BCBDRO [NH3+]CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000037902405 181395413 /nfs/dbraw/zinc/39/54/13/181395413.db2.gz RLNDTVDGKPUQKY-UHFFFAOYSA-N 1 0 215.234 0.345 20 5 BCBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000566203274 326012589 /nfs/dbraw/zinc/01/25/89/326012589.db2.gz CIEPBXFXHOENRH-UHFFFAOYSA-N 1 0 241.251 0.047 20 5 BCBDRO C[C@H](C[NH3+])C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000567822081 326263494 /nfs/dbraw/zinc/26/34/94/326263494.db2.gz WMQRRTVFVZGDIV-ZCFIWIBFSA-N 1 0 239.231 0.834 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111302014 370125983 /nfs/dbraw/zinc/12/59/83/370125983.db2.gz QWDTUYWREWRIAP-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000276547007 371145745 /nfs/dbraw/zinc/14/57/45/371145745.db2.gz XXHCMDJHCRNAKA-UHFFFAOYSA-N 1 0 228.277 0.802 20 5 BCBDRO C[NH2+]CCSCCn1cc([N+](=O)[O-])cn1 ZINC000573114821 326430323 /nfs/dbraw/zinc/43/03/23/326430323.db2.gz QVVCQLWVAPGNQA-UHFFFAOYSA-N 1 0 230.293 0.744 20 5 BCBDRO O=[N+]([O-])c1cnc(N2CC([NH+]3CCCC3)C2)nc1 ZINC000601194273 371736879 /nfs/dbraw/zinc/73/68/79/371736879.db2.gz WZCLZUXJWPMVDC-UHFFFAOYSA-N 1 0 249.274 0.669 20 5 BCBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964874 371779014 /nfs/dbraw/zinc/77/90/14/371779014.db2.gz QVQZXEUZNMTYTA-SECBINFHSA-N 1 0 242.279 0.492 20 5 BCBDRO Cn1cc(CN2CC[C@H](F)C2)c([N+](=O)[O-])n1 ZINC000602676903 371830440 /nfs/dbraw/zinc/83/04/40/371830440.db2.gz UCTDSOJKFUXOES-QMMMGPOBSA-N 1 0 228.227 0.872 20 5 BCBDRO C[C@](CO)([NH2+]CCO)c1cccc([N+](=O)[O-])c1 ZINC000602965408 371859734 /nfs/dbraw/zinc/85/97/34/371859734.db2.gz FBGQGGJTSLIJPR-LLVKDONJSA-N 1 0 240.259 0.384 20 5 BCBDRO COc1cc([N+](=O)[O-])cn(CC[NH+](C)C)c1=O ZINC000603360981 371889023 /nfs/dbraw/zinc/88/90/23/371889023.db2.gz CPCUZBMWKZPQRO-UHFFFAOYSA-N 1 0 241.247 0.327 20 5 BCBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429997 371895396 /nfs/dbraw/zinc/89/53/96/371895396.db2.gz QFYCLHSRQOJZMX-IONNQARKSA-N 1 0 239.279 0.250 20 5 BCBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000037116571 182116548 /nfs/dbraw/zinc/11/65/48/182116548.db2.gz TTYJEQZWJCMOHL-UHFFFAOYSA-N 1 0 238.247 0.405 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1 ZINC000041031346 374090402 /nfs/dbraw/zinc/09/04/02/374090402.db2.gz ZMHVENXMQAVWQW-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000133607101 182242436 /nfs/dbraw/zinc/24/24/36/182242436.db2.gz PCUBLGQVVCRPCN-VIFPVBQESA-N 1 0 249.270 0.934 20 5 BCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000062114238 182251185 /nfs/dbraw/zinc/25/11/85/182251185.db2.gz LKNRHOZGCWQBJW-JTQLQIEISA-N 1 0 249.270 0.821 20 5 BCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000062114237 182251716 /nfs/dbraw/zinc/25/17/16/182251716.db2.gz LKNRHOZGCWQBJW-SNVBAGLBSA-N 1 0 249.270 0.821 20 5 BCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000052092826 182304063 /nfs/dbraw/zinc/30/40/63/182304063.db2.gz BLAQVFULNHXDPO-SSDOTTSWSA-N 1 0 241.272 0.748 20 5 BCBDRO CC[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015958 383892061 /nfs/dbraw/zinc/89/20/61/383892061.db2.gz RDPNPPMDZXFNTG-SECBINFHSA-N 1 0 237.259 0.948 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000050228753 383977562 /nfs/dbraw/zinc/97/75/62/383977562.db2.gz VEKLAQBWKUDNSM-ZCFIWIBFSA-N 1 0 224.220 0.096 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000050228545 383977606 /nfs/dbraw/zinc/97/76/06/383977606.db2.gz UZKJOFAZFOZOMB-SNVBAGLBSA-N 1 0 249.270 0.697 20 5 BCBDRO Cc1ccnc(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000070062885 384220932 /nfs/dbraw/zinc/22/09/32/384220932.db2.gz NGOWIVSMYGTFKQ-UHFFFAOYSA-N 1 0 210.237 0.693 20 5 BCBDRO C[N@@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187678972 384375162 /nfs/dbraw/zinc/37/51/62/384375162.db2.gz UTUDUBDEQGGELE-MRVPVSSYSA-N 1 0 210.237 0.743 20 5 BCBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000229597073 384385104 /nfs/dbraw/zinc/38/51/04/384385104.db2.gz GRQHBIHFMJUSKJ-CBAPKCEASA-N 1 0 237.263 0.937 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCCC2)n1 ZINC000176189075 384449899 /nfs/dbraw/zinc/44/98/99/384449899.db2.gz AYIAUGSAUPSIRP-UHFFFAOYSA-N 1 0 210.237 0.887 20 5 BCBDRO C[C@H](O)CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176266776 384510264 /nfs/dbraw/zinc/51/02/64/384510264.db2.gz RFZVEDUYZCWIGU-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)O ZINC000176246080 384494917 /nfs/dbraw/zinc/49/49/17/384494917.db2.gz NZNINHNLCBNQKZ-UHFFFAOYSA-N 1 0 242.279 0.494 20 5 BCBDRO O=C1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1 ZINC000104354021 384680253 /nfs/dbraw/zinc/68/02/53/384680253.db2.gz JNCAWIQCYWVCBJ-JTQLQIEISA-N 1 0 249.270 0.963 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH3+])c1 ZINC000083842823 384904506 /nfs/dbraw/zinc/90/45/06/384904506.db2.gz FNSHYDZUUYXLCL-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCO)C2)c1 ZINC000364323860 385031378 /nfs/dbraw/zinc/03/13/78/385031378.db2.gz KNGITVAEQSIYRG-VIFPVBQESA-N 1 0 240.263 0.421 20 5 BCBDRO C[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351337 385133746 /nfs/dbraw/zinc/13/37/46/385133746.db2.gz BZWSGUJSEYNBBM-LLVKDONJSA-N 1 0 240.259 0.552 20 5 BCBDRO CC(C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000063020333 385202151 /nfs/dbraw/zinc/20/21/51/385202151.db2.gz MSEAOCWFWHCNQC-UHFFFAOYSA-N 1 0 227.220 0.655 20 5 BCBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@H]2C1 ZINC000518867868 385629234 /nfs/dbraw/zinc/62/92/34/385629234.db2.gz YOONTXUSAXXRCN-AOOOYVTPSA-N 1 0 248.286 0.988 20 5 BCBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261556713 385819104 /nfs/dbraw/zinc/81/91/04/385819104.db2.gz QWTBNCLXMFNRTD-MRVPVSSYSA-N 1 0 237.259 0.933 20 5 BCBDRO C[NH2+]CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000211570721 386737923 /nfs/dbraw/zinc/73/79/23/386737923.db2.gz MYNWQAYEOXCGSV-SREVYHEPSA-N 1 0 249.270 0.944 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH3+])c1 ZINC000088147762 386845570 /nfs/dbraw/zinc/84/55/70/386845570.db2.gz RDLRWFIEPVSDIK-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO CC1(C(=O)NCc2ccccc2[N+](=O)[O-])C[NH2+]C1 ZINC000399153304 387002450 /nfs/dbraw/zinc/00/24/50/387002450.db2.gz HJGJHRZJSWDLTG-UHFFFAOYSA-N 1 0 249.270 0.821 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000441626316 387356415 /nfs/dbraw/zinc/35/64/15/387356415.db2.gz PIULPAPTZFVNLR-LURJTMIESA-N 1 0 226.236 0.248 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000441613827 387325439 /nfs/dbraw/zinc/32/54/39/387325439.db2.gz RGYXPPLEHUGVRT-SSDOTTSWSA-N 1 0 240.263 0.258 20 5 BCBDRO CC[N@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000054127866 387347167 /nfs/dbraw/zinc/34/71/67/387347167.db2.gz KGGWXEUQFFZGQK-UHFFFAOYSA-N 1 0 225.252 0.748 20 5 BCBDRO C[C@H](C[NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000054345518 387510608 /nfs/dbraw/zinc/51/06/08/387510608.db2.gz NQZZLDVXCDUZHY-MRVPVSSYSA-N 1 0 237.259 0.806 20 5 BCBDRO C[C@H](C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000054340080 387474600 /nfs/dbraw/zinc/47/46/00/387474600.db2.gz GUUWWAILBTUPDL-MRVPVSSYSA-N 1 0 237.259 0.806 20 5 BCBDRO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000192519264 387492893 /nfs/dbraw/zinc/49/28/93/387492893.db2.gz MQWXICJLYBTJMR-UHFFFAOYSA-N 1 0 243.288 0.948 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000237568191 387689774 /nfs/dbraw/zinc/68/97/74/387689774.db2.gz JJWBYCQIJZKPDT-MRVPVSSYSA-N 1 0 237.259 0.919 20 5 BCBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000127876556 177813938 /nfs/dbraw/zinc/81/39/38/177813938.db2.gz VBNAZIXSDQZZAR-JTQLQIEISA-N 1 0 249.270 0.995 20 5 BCBDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000104220081 177787102 /nfs/dbraw/zinc/78/71/02/177787102.db2.gz VXUUUHCHCMWQFN-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372904985 388084334 /nfs/dbraw/zinc/08/43/34/388084334.db2.gz OTGDQXVNWKJPPA-RGOKHQFPSA-N 1 0 239.275 0.005 20 5 BCBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000132837498 388370420 /nfs/dbraw/zinc/37/04/20/388370420.db2.gz RVFBUOQKPJLXOZ-UHFFFAOYSA-N 1 0 226.236 0.390 20 5 BCBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000298861668 388671560 /nfs/dbraw/zinc/67/15/60/388671560.db2.gz DAJCCDTWPPMLLH-SSDOTTSWSA-N 1 0 240.263 0.603 20 5 BCBDRO C[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534724 388677660 /nfs/dbraw/zinc/67/76/60/388677660.db2.gz YNGHNRYAVFOIOJ-UHFFFAOYSA-N 1 0 240.259 0.898 20 5 BCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374478663 388714248 /nfs/dbraw/zinc/71/42/48/388714248.db2.gz CSDLMDARRWQHQM-UTINFBMNSA-N 1 0 239.275 0.005 20 5 BCBDRO C[C@@H](C[NH3+])N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000430967669 388730024 /nfs/dbraw/zinc/73/00/24/388730024.db2.gz UCXKUAKZIMQSAD-ZETCQYMHSA-N 1 0 227.268 0.107 20 5 BCBDRO C[C@H](CO)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000284900671 388832915 /nfs/dbraw/zinc/83/29/15/388832915.db2.gz UUPMSYKIEPKDQO-MRVPVSSYSA-N 1 0 228.252 0.104 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1c1ncccc1[N+](=O)[O-] ZINC000054375203 132364224 /nfs/dbraw/zinc/36/42/24/132364224.db2.gz KGFDLDPGSMDWRQ-MRVPVSSYSA-N 1 0 222.248 0.788 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)CC2)n1 ZINC000176194391 134289083 /nfs/dbraw/zinc/28/90/83/134289083.db2.gz KIPHIPXRKHGEET-UHFFFAOYSA-N 1 0 240.263 0.248 20 5 BCBDRO CC[N@H+](CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000267032801 135151126 /nfs/dbraw/zinc/15/11/26/135151126.db2.gz NCVVRWWUTJDLDL-UHFFFAOYSA-N 1 0 242.279 0.496 20 5 BCBDRO COc1ccc(NC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000261537585 135174500 /nfs/dbraw/zinc/17/45/00/135174500.db2.gz PVWDMSKGJVSCNF-UHFFFAOYSA-N 1 0 239.231 0.891 20 5 BCBDRO C[C@@H](O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000177027008 397840449 /nfs/dbraw/zinc/84/04/49/397840449.db2.gz ZZKDEHMJCSUTDE-MRVPVSSYSA-N 1 0 228.252 0.104 20 5 BCBDRO CC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)COC1 ZINC000286266037 168042832 /nfs/dbraw/zinc/04/28/32/168042832.db2.gz BELFLKMSPMKADZ-UHFFFAOYSA-N 1 0 240.263 0.417 20 5 BCBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000358921438 170157596 /nfs/dbraw/zinc/15/75/96/170157596.db2.gz AOVMLYLTTZTAEC-SSDOTTSWSA-N 1 0 240.263 0.651 20 5 BCBDRO Cc1nc(NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000436455687 411748351 /nfs/dbraw/zinc/74/83/51/411748351.db2.gz TWNNZODVNKPVRE-UHFFFAOYSA-N 1 0 236.275 1.416 20 5 BCBDRO Cc1nc(NC[C@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000420198689 411774748 /nfs/dbraw/zinc/77/47/48/411774748.db2.gz YKLSILPAKLSRBS-QMMMGPOBSA-N 1 0 239.279 1.088 20 5 BCBDRO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000364787158 172329676 /nfs/dbraw/zinc/32/96/76/172329676.db2.gz BDTRGRYVRJQGGC-AEJSXWLSSA-N 1 0 241.291 0.252 20 5 BCBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000071310179 172341334 /nfs/dbraw/zinc/34/13/34/172341334.db2.gz XUSOOIDZFKLPHV-ZETCQYMHSA-N 1 0 239.231 0.622 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000069801557 173352253 /nfs/dbraw/zinc/35/22/53/173352253.db2.gz BJACVDHKDNXPEU-UHFFFAOYSA-N 1 0 243.288 0.948 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000070303693 173353188 /nfs/dbraw/zinc/35/31/88/173353188.db2.gz FKCZHVIETLVSLF-UHFFFAOYSA-N 1 0 237.259 0.886 20 5 BCBDRO C[NH2+]CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000054244255 173354775 /nfs/dbraw/zinc/35/47/75/173354775.db2.gz MYNWQAYEOXCGSV-VOTSOKGWSA-N 1 0 249.270 0.944 20 5 BCBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000237093152 173355408 /nfs/dbraw/zinc/35/54/08/173355408.db2.gz KUCDPRWBIILWTC-UHFFFAOYSA-N 1 0 243.288 0.914 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135223801 173356218 /nfs/dbraw/zinc/35/62/18/173356218.db2.gz CNCJWLZPZAEVDE-UHFFFAOYSA-N 1 0 241.222 0.683 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000054244267 173356371 /nfs/dbraw/zinc/35/63/71/173356371.db2.gz GDLFWAUHNPGLPZ-UHFFFAOYSA-N 1 0 213.193 0.137 20 5 BCBDRO C[NH2+][C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261544295 173446603 /nfs/dbraw/zinc/44/66/03/173446603.db2.gz DQHHWHAICFQKDH-MRVPVSSYSA-N 1 0 237.259 0.933 20 5 BCBDRO COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])cn1 ZINC000273662907 174521202 /nfs/dbraw/zinc/52/12/02/174521202.db2.gz WLCQPYXESHCPEQ-VIFPVBQESA-N 1 0 241.251 0.161 20 5 BCBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)C[NH+](C)C ZINC000291671781 176688001 /nfs/dbraw/zinc/68/80/01/176688001.db2.gz DLXDZBRIDVIYEO-MRVPVSSYSA-N 1 0 239.279 0.994 20 5 BCBDRO CNC(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418405 323123748 /nfs/dbraw/zinc/12/37/48/323123748.db2.gz OZGUZEPDWSMMQP-JTQLQIEISA-N 1 0 249.270 0.918 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000571209959 323138535 /nfs/dbraw/zinc/13/85/35/323138535.db2.gz BVENBLQRUWDYQL-ZETCQYMHSA-N 1 0 240.263 0.258 20 5 BCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000320696327 323183374 /nfs/dbraw/zinc/18/33/74/323183374.db2.gz NIXSPGDTNSPXSW-RNFRBKRXSA-N 1 0 240.263 0.779 20 5 BCBDRO O=[N+]([O-])c1cnc(N2CC(n3ccnc3)C2)nc1 ZINC000546181237 325270672 /nfs/dbraw/zinc/27/06/72/325270672.db2.gz VLKOPZZUUBXBDI-UHFFFAOYSA-N 1 0 246.230 0.643 20 5 BCBDRO CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000566799987 326084552 /nfs/dbraw/zinc/08/45/52/326084552.db2.gz NXNQLGGCNAMDCJ-VIFPVBQESA-N 1 0 239.279 0.085 20 5 BCBDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000567898066 326279506 /nfs/dbraw/zinc/27/95/06/326279506.db2.gz JQTBLPMXBABXMH-AOOOYVTPSA-N 1 0 249.270 0.948 20 5 BCBDRO CN(CC1C[NH+](C)C1)Cn1nccc1[N+](=O)[O-] ZINC000853553556 588748640 /nfs/dbraw/zinc/74/86/40/588748640.db2.gz QAAOHNPMWQHYGN-UHFFFAOYSA-N 1 0 239.279 0.242 20 5 BCBDRO CC(C)[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])[NH+](C)C ZINC000813102233 582579940 /nfs/dbraw/zinc/57/99/40/582579940.db2.gz CGFNAUUPVMHAHT-BDAKNGLRSA-N 1 0 232.280 0.781 20 5 BCBDRO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000891756382 582717476 /nfs/dbraw/zinc/71/74/76/582717476.db2.gz NNHYHGINZMLQPA-ZETCQYMHSA-N 1 0 227.268 0.690 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1ccc2c(c1)OCO2 ZINC000899860164 584242388 /nfs/dbraw/zinc/24/23/88/584242388.db2.gz ISAFTZNFQMFPSF-UHFFFAOYSA-N 1 0 238.243 0.824 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000899860777 584242501 /nfs/dbraw/zinc/24/25/01/584242501.db2.gz TZLPMBVWNQZKNM-UHFFFAOYSA-N 1 0 238.243 0.824 20 5 BCBDRO O=[N+]([O-])CCNCCC[NH+]1CCCCC1 ZINC000899859900 584242632 /nfs/dbraw/zinc/24/26/32/584242632.db2.gz FZKVEDFNVTZGKT-UHFFFAOYSA-N 1 0 215.297 0.729 20 5 BCBDRO CC(C)[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCOCC1 ZINC000899864371 584244377 /nfs/dbraw/zinc/24/43/77/584244377.db2.gz IIHRJGRVTFTJPU-LLVKDONJSA-N 1 0 245.323 0.210 20 5 BCBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839582801 585330918 /nfs/dbraw/zinc/33/09/18/585330918.db2.gz SCQFTYKTCAKQTG-IVZWLZJFSA-N 1 0 243.307 0.498 20 5 BCBDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839672458 585336480 /nfs/dbraw/zinc/33/64/80/585336480.db2.gz HCDWOXBNJGPEQM-OPRDCNLKSA-N 1 0 241.291 0.110 20 5 BCBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839714409 585338206 /nfs/dbraw/zinc/33/82/06/585338206.db2.gz DYEBOIYRUCBEJD-ZYUZMQFOSA-N 1 0 241.291 0.203 20 5 BCBDRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839747539 585340049 /nfs/dbraw/zinc/34/00/49/585340049.db2.gz IOPUQBZMIOVVEE-NXEZZACHSA-N 1 0 239.275 0.030 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)C2CC2)n1 ZINC000771807751 585600831 /nfs/dbraw/zinc/60/08/31/585600831.db2.gz LPCJMCIIRIQCIM-VIFPVBQESA-N 1 0 240.263 0.152 20 5 BCBDRO CC(C)C[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791052813 585972890 /nfs/dbraw/zinc/97/28/90/585972890.db2.gz DTWPKHZPICYDPP-UHFFFAOYSA-N 1 0 215.297 0.537 20 5 BCBDRO CC[NH+](CC)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791051351 585972961 /nfs/dbraw/zinc/97/29/61/585972961.db2.gz BIOMUAUFQMZZAY-JTQLQIEISA-N 1 0 215.297 0.679 20 5 BCBDRO C[NH+](C)C1CCN(CC[N+](=O)[O-])CC1 ZINC000791054800 585973181 /nfs/dbraw/zinc/97/31/81/585973181.db2.gz YAPODIXBKRTDMM-UHFFFAOYSA-N 1 0 201.270 0.289 20 5 BCBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053761 585973208 /nfs/dbraw/zinc/97/32/08/585973208.db2.gz GHENQUCUQWOIKI-DTWKUNHWSA-N 1 0 202.254 0.498 20 5 BCBDRO CC1([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)OCCO1 ZINC000791053770 585973457 /nfs/dbraw/zinc/97/34/57/585973457.db2.gz GKDKVGHXMFTXIQ-JTQLQIEISA-N 1 0 244.291 0.738 20 5 BCBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(CC[NH3+])no1 ZINC000843129834 586417830 /nfs/dbraw/zinc/41/78/30/586417830.db2.gz ZEROKTGQKQDSOO-UHFFFAOYSA-N 1 0 249.230 0.849 20 5 BCBDRO C[C@@H](NC1C[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817955478 586849779 /nfs/dbraw/zinc/84/97/79/586849779.db2.gz BUBDIAMVFWFXJU-SSDOTTSWSA-N 1 0 236.275 0.799 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)C2CC2)c1 ZINC000819176031 586935319 /nfs/dbraw/zinc/93/53/19/586935319.db2.gz GLCICKCHGUHEJY-SNVBAGLBSA-N 1 0 240.263 0.152 20 5 BCBDRO O=c1c(F)cc([N+](=O)[O-])cn1C[C@@H]1CC[NH2+]C1 ZINC000830418127 587550973 /nfs/dbraw/zinc/55/09/73/587550973.db2.gz BUSHWCDZTCWVKB-SSDOTTSWSA-N 1 0 241.222 0.505 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834682766 587763983 /nfs/dbraw/zinc/76/39/83/587763983.db2.gz WFZXSUWHBSLEEW-LURJTMIESA-N 1 0 238.247 0.254 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000843470088 588113432 /nfs/dbraw/zinc/11/34/32/588113432.db2.gz QXSDAPQCLJMVMY-LURJTMIESA-N 1 0 238.247 0.254 20 5 BCBDRO C[N@@H+]1CC[C@H](CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000847817422 588333221 /nfs/dbraw/zinc/33/32/21/588333221.db2.gz JNRFOAATKCYKBV-OPRDCNLKSA-N 1 0 242.275 0.537 20 5 BCBDRO C[C@H]([NH3+])CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000863569800 589300651 /nfs/dbraw/zinc/30/06/51/589300651.db2.gz PNTXAOWDAVSOSX-QMMMGPOBSA-N 1 0 227.268 0.070 20 5 BCBDRO C[NH2+][C@@H](C)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642018 589386900 /nfs/dbraw/zinc/38/69/00/589386900.db2.gz HBRPVNLGRPORGG-ZETCQYMHSA-N 1 0 227.268 0.614 20 5 BCBDRO CC(C)([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642422 589386948 /nfs/dbraw/zinc/38/69/48/589386948.db2.gz OLGSYDQZPYTOJH-UHFFFAOYSA-N 1 0 227.268 0.527 20 5 BCBDRO CC[C@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642862 589387183 /nfs/dbraw/zinc/38/71/83/589387183.db2.gz YLSAXZNZHCVKMD-ZETCQYMHSA-N 1 0 227.268 0.743 20 5 BCBDRO CC(C)[C@@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642863 589387341 /nfs/dbraw/zinc/38/73/41/589387341.db2.gz YMVHWZQEFJWHIM-SECBINFHSA-N 1 0 241.295 0.989 20 5 BCBDRO [NH3+]C[C@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886830735 592354996 /nfs/dbraw/zinc/35/49/96/592354996.db2.gz WROCCLNVQONUHK-SNVBAGLBSA-N 1 0 236.275 0.913 20 5 BCBDRO [NH3+]CC12CC(C1)CN2Cc1cccnc1[N+](=O)[O-] ZINC000886841105 592360770 /nfs/dbraw/zinc/36/07/70/592360770.db2.gz CBZDTVSVLSMYDE-UHFFFAOYSA-N 1 0 248.286 0.913 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000886841688 592363655 /nfs/dbraw/zinc/36/36/55/592363655.db2.gz SIVAPFAFQSLRGQ-UWVGGRQHSA-N 1 0 234.259 0.536 20 5 BCBDRO CO[C@@H]1CC[C@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000931474291 634494559 /nfs/dbraw/zinc/49/45/59/634494559.db2.gz LPUKLTIGUUUJNS-DTWKUNHWSA-N 1 0 202.254 0.762 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262338378 631235814 /nfs/dbraw/zinc/23/58/14/631235814.db2.gz HPGGHKRKPRCCKC-ZCFIWIBFSA-N 1 0 238.247 0.254 20 5 BCBDRO C[C@@H]1C[C@H](CO)C[N@H+](CC[N+](=O)[O-])C1 ZINC000930751398 634089486 /nfs/dbraw/zinc/08/94/86/634089486.db2.gz ZQVKGQVLVMBNSW-BDAKNGLRSA-N 1 0 202.254 0.213 20 5 BCBDRO COC(=O)C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1C ZINC000932100141 635563317 /nfs/dbraw/zinc/56/33/17/635563317.db2.gz XWRRXSOCAYNQSS-RKDXNWHRSA-N 1 0 230.264 0.394 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH3+] ZINC000054417359 636636595 /nfs/dbraw/zinc/63/65/95/636636595.db2.gz NWDRHYUIAANCST-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO CCN(CC)C(=O)CCC[NH2+]CC[N+](=O)[O-] ZINC000905046627 637563505 /nfs/dbraw/zinc/56/35/05/637563505.db2.gz RLAILSZKHVBSTG-UHFFFAOYSA-N 1 0 231.296 0.501 20 5 BCBDRO O=C1Nc2ccccc2[C@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905065515 637600123 /nfs/dbraw/zinc/60/01/23/637600123.db2.gz PBYVVMGDRXATCZ-SNVBAGLBSA-N 1 0 249.270 0.979 20 5 BCBDRO O=C1CCCCN1CCC[NH2+]CC[N+](=O)[O-] ZINC000905098631 637608642 /nfs/dbraw/zinc/60/86/42/637608642.db2.gz UPVCQLJMRFWTFV-UHFFFAOYSA-N 1 0 229.280 0.255 20 5 BCBDRO Cc1noc(C)c1CC[NH2+]CC[N+](=O)[O-] ZINC000905102111 637610927 /nfs/dbraw/zinc/61/09/27/637610927.db2.gz QMCLCVIBBILIIC-UHFFFAOYSA-N 1 0 213.237 0.700 20 5 BCBDRO CC[N@@H+]1CCCC[C@@H]1CNCC[N+](=O)[O-] ZINC000905105926 637614100 /nfs/dbraw/zinc/61/41/00/637614100.db2.gz MTXAETAPINVCCD-SNVBAGLBSA-N 1 0 215.297 0.727 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCCn1ccnc1 ZINC000905110569 637618088 /nfs/dbraw/zinc/61/80/88/637618088.db2.gz MLJAGAJTMOVICX-UHFFFAOYSA-N 1 0 212.253 0.530 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC1CCSCC1 ZINC000905115123 637620636 /nfs/dbraw/zinc/62/06/36/637620636.db2.gz ZHYOEEGGIRBZMF-UHFFFAOYSA-N 1 0 204.295 0.996 20 5 BCBDRO O=C(CC[NH2+]CC[N+](=O)[O-])Nc1ccccc1 ZINC000905114898 637620695 /nfs/dbraw/zinc/62/06/95/637620695.db2.gz SNZGVZOOJXUZGM-UHFFFAOYSA-N 1 0 237.259 0.882 20 5 BCBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905121342 637627094 /nfs/dbraw/zinc/62/70/94/637627094.db2.gz MELADYISFPAGPJ-NXEZZACHSA-N 1 0 243.307 0.500 20 5 BCBDRO CC[C@@H](C[NH+]1CCCC1)NCC[N+](=O)[O-] ZINC000905121263 637627374 /nfs/dbraw/zinc/62/73/74/637627374.db2.gz CCJPGERMUINWST-JTQLQIEISA-N 1 0 215.297 0.727 20 5 BCBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])CC1(C)OCCO1 ZINC000905131601 637641164 /nfs/dbraw/zinc/64/11/64/637641164.db2.gz BQTOLLDCTHIWKZ-SECBINFHSA-N 1 0 232.280 0.642 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000905128868 637641404 /nfs/dbraw/zinc/64/14/04/637641404.db2.gz VXLDMZRTIKSOQO-UHFFFAOYSA-N 1 0 247.258 0.634 20 5 BCBDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905140244 637648155 /nfs/dbraw/zinc/64/81/55/637648155.db2.gz UELOREPIUDMKJS-QMMMGPOBSA-N 1 0 240.307 0.834 20 5 BCBDRO C[C@@H](O)CC(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905143412 637650389 /nfs/dbraw/zinc/65/03/89/637650389.db2.gz BPPGEEJAZMFBNG-MRVPVSSYSA-N 1 0 204.270 0.650 20 5 BCBDRO CN(C)[C@@]1(C[NH2+]CC[N+](=O)[O-])CCSC1 ZINC000905146157 637654019 /nfs/dbraw/zinc/65/40/19/637654019.db2.gz GVTKWPUXABSCNW-SECBINFHSA-N 1 0 233.337 0.290 20 5 BCBDRO CC(C)(C)N1C[C@@H]([NH2+]CC[N+](=O)[O-])CC1=O ZINC000905149159 637658846 /nfs/dbraw/zinc/65/88/46/637658846.db2.gz YIVPXEOJMFYQKR-QMMMGPOBSA-N 1 0 229.280 0.252 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000905176108 637684840 /nfs/dbraw/zinc/68/48/40/637684840.db2.gz KQOUPPNXBRZOBN-VHSXEESVSA-N 1 0 246.332 0.907 20 5 BCBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905201100 637693805 /nfs/dbraw/zinc/69/38/05/637693805.db2.gz MRVZIBLTOXKNCP-RKDXNWHRSA-N 1 0 202.254 0.668 20 5 BCBDRO Cn1nc(CC[NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905217761 637699240 /nfs/dbraw/zinc/69/92/40/637699240.db2.gz FRTZTOXRHFGJCE-UHFFFAOYSA-N 1 0 248.286 0.982 20 5 BCBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905213644 637699311 /nfs/dbraw/zinc/69/93/11/637699311.db2.gz DWSPHIZOPSSYNH-MRVPVSSYSA-N 1 0 247.295 0.766 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000905215258 637699501 /nfs/dbraw/zinc/69/95/01/637699501.db2.gz MKRMEXBGKCLUBH-ZJUUUORDSA-N 1 0 214.265 0.810 20 5 BCBDRO CC(C)[N@H+](C)C[C@H](C)NCC[N+](=O)[O-] ZINC000905261809 637715369 /nfs/dbraw/zinc/71/53/69/637715369.db2.gz RZVPYRLSMIENOO-VIFPVBQESA-N 1 0 203.286 0.581 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCSC1 ZINC000905261768 637715405 /nfs/dbraw/zinc/71/54/05/637715405.db2.gz KZTZSTCQEWTWJR-QMMMGPOBSA-N 1 0 204.295 0.996 20 5 BCBDRO CC(C)(O)C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905280194 637734947 /nfs/dbraw/zinc/73/49/47/637734947.db2.gz MKMPYYBQSQPYMO-UHFFFAOYSA-N 1 0 204.270 0.650 20 5 BCBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905345091 637767980 /nfs/dbraw/zinc/76/79/80/637767980.db2.gz LFUPJXZBIPTYDA-MWLCHTKSSA-N 1 0 224.260 0.975 20 5 BCBDRO Cc1ccccc1[C@@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905347679 637769818 /nfs/dbraw/zinc/76/98/18/637769818.db2.gz BPRVLQKBRATEIJ-NSHDSACASA-N 1 0 224.260 0.895 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](CO)Cc1ccc(O)cc1 ZINC000905342323 637783267 /nfs/dbraw/zinc/78/32/67/637783267.db2.gz VOGOFEPVCDNTRZ-JTQLQIEISA-N 1 0 240.259 0.162 20 5 BCBDRO CC1(C)OCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905382488 637784254 /nfs/dbraw/zinc/78/42/54/637784254.db2.gz QCXVUGQHNXTIAP-QMMMGPOBSA-N 1 0 202.254 0.668 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1CCCOC1 ZINC000905388315 637787050 /nfs/dbraw/zinc/78/70/50/637787050.db2.gz ZUDQMARQZNCJEV-VIFPVBQESA-N 1 0 202.254 0.669 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000905365633 637787538 /nfs/dbraw/zinc/78/75/38/637787538.db2.gz CHVRYVXMYXXNBQ-NSHDSACASA-N 1 0 242.250 0.595 20 5 BCBDRO CC[C@H](C[C@H](C)CO)[NH2+]CC[N+](=O)[O-] ZINC000905362900 637787881 /nfs/dbraw/zinc/78/78/81/637787881.db2.gz BJYUEJLVLPRLQV-DTWKUNHWSA-N 1 0 204.270 0.650 20 5 BCBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)C(C)C ZINC000905375728 637793940 /nfs/dbraw/zinc/79/39/40/637793940.db2.gz ZJEDEFRKYZDTNW-DTWKUNHWSA-N 1 0 204.270 0.648 20 5 BCBDRO COC(=O)C1=CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905391154 637794236 /nfs/dbraw/zinc/79/42/36/637794236.db2.gz UHPLFZZSOPUHSV-QMMMGPOBSA-N 1 0 214.221 0.115 20 5 BCBDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905403848 637797631 /nfs/dbraw/zinc/79/76/31/637797631.db2.gz FKUBEIRVRRAQOG-DTORHVGOSA-N 1 0 244.291 0.973 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@H](O)C1CCCC1 ZINC000905408522 637798623 /nfs/dbraw/zinc/79/86/23/637798623.db2.gz OLYJAVWDOAUPGM-JTQLQIEISA-N 1 0 216.281 0.794 20 5 BCBDRO COCC(C)(C)CC[NH2+]CC[N+](=O)[O-] ZINC000905409675 637798843 /nfs/dbraw/zinc/79/88/43/637798843.db2.gz WHTRKJKYPSJJOS-UHFFFAOYSA-N 1 0 204.270 0.915 20 5 BCBDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905393365 637806689 /nfs/dbraw/zinc/80/66/89/637806689.db2.gz AIKKRBSPJYPFEH-LLVKDONJSA-N 1 0 249.270 0.680 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000905443276 637815840 /nfs/dbraw/zinc/81/58/40/637815840.db2.gz YRPBHDLCULZBPQ-VIFPVBQESA-N 1 0 214.265 0.954 20 5 BCBDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]CC[N+](=O)[O-])O2)CO1 ZINC000905480594 637818978 /nfs/dbraw/zinc/81/89/78/637818978.db2.gz AKHORLGBPWPXEL-VWYCJHECSA-N 1 0 244.291 0.579 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000905471890 637830642 /nfs/dbraw/zinc/83/06/42/637830642.db2.gz IHVJQAGMLOHLTL-JTQLQIEISA-N 1 0 242.250 0.595 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905516766 637841957 /nfs/dbraw/zinc/84/19/57/637841957.db2.gz NRVPOOXNPGNIMT-BQBZGAKWSA-N 1 0 242.197 0.963 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905516799 637842510 /nfs/dbraw/zinc/84/25/10/637842510.db2.gz NRVPOOXNPGNIMT-RQJHMYQMSA-N 1 0 242.197 0.963 20 5 BCBDRO COC[C@H](C[NH2+]CC[N+](=O)[O-])C(C)C ZINC000905617692 637868549 /nfs/dbraw/zinc/86/85/49/637868549.db2.gz QYQPDNBCPNIFPN-VIFPVBQESA-N 1 0 204.270 0.771 20 5 BCBDRO CO[C@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930323465 639704105 /nfs/dbraw/zinc/70/41/05/639704105.db2.gz NOXPEGNBLVXRFC-IUCAKERBSA-N 1 0 202.254 0.762 20 5 BCBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC[N+](=O)[O-] ZINC000930452125 639755582 /nfs/dbraw/zinc/75/55/82/639755582.db2.gz JZBBFSCKRFJXSR-OGBGREFGSA-N 1 0 226.276 0.618 20 5 BCBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930471827 639773642 /nfs/dbraw/zinc/77/36/42/639773642.db2.gz RKCNCUCVXOJCIO-SNVBAGLBSA-N 1 0 243.307 0.644 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930623362 639828509 /nfs/dbraw/zinc/82/85/09/639828509.db2.gz QMYZMEAORXIWAQ-AXFHLTTASA-N 1 0 228.292 0.889 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000930638641 639838197 /nfs/dbraw/zinc/83/81/97/639838197.db2.gz JTXXPXLNTMVNQW-GHMZBOCLSA-N 1 0 228.292 0.650 20 5 BCBDRO COC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930664224 639852961 /nfs/dbraw/zinc/85/29/61/639852961.db2.gz DVBHEWXMHNRXJA-SECBINFHSA-N 1 0 202.254 0.764 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@H](CCCO)C1 ZINC000930675912 639859143 /nfs/dbraw/zinc/85/91/43/639859143.db2.gz ROYYJSMNGWQABN-VIFPVBQESA-N 1 0 202.254 0.358 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000930813816 639915911 /nfs/dbraw/zinc/91/59/11/639915911.db2.gz JPKZPDNZJQNFTO-BDAKNGLRSA-N 1 0 200.238 0.374 20 5 BCBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000930846065 639944374 /nfs/dbraw/zinc/94/43/74/639944374.db2.gz ASBYATBEJJEFBG-RKDXNWHRSA-N 1 0 204.270 0.650 20 5 BCBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@@]1(C)CO ZINC000931065042 640053161 /nfs/dbraw/zinc/05/31/61/640053161.db2.gz DZFSHNCPGBYFJR-BDAKNGLRSA-N 1 0 202.254 0.213 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000931059925 640047554 /nfs/dbraw/zinc/04/75/54/640047554.db2.gz PIDGWSGGUVXJPU-IUCAKERBSA-N 1 0 200.238 0.231 20 5 BCBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000931258393 640119309 /nfs/dbraw/zinc/11/93/09/640119309.db2.gz KTJITLZJBZYQBD-RBXMUDONSA-N 1 0 202.254 0.665 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000931261208 640122978 /nfs/dbraw/zinc/12/29/78/640122978.db2.gz PWLUPCWZTOOVOU-VHSXEESVSA-N 1 0 214.265 0.358 20 5 BCBDRO CC(C)(O)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931622368 640293418 /nfs/dbraw/zinc/29/34/18/640293418.db2.gz NGPXEBONYDVNIV-MRVPVSSYSA-N 1 0 202.254 0.356 20 5 BCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC[N+](=O)[O-] ZINC000931620843 640293551 /nfs/dbraw/zinc/29/35/51/640293551.db2.gz HSKCAILIBNMMPW-ZJUUUORDSA-N 1 0 213.281 0.432 20 5 BCBDRO CC[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000931767523 640358768 /nfs/dbraw/zinc/35/87/68/640358768.db2.gz LLKXPUFYCWBXEH-QMMMGPOBSA-N 1 0 228.252 0.152 20 5 BCBDRO CC[C@@H](CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000931770917 640362617 /nfs/dbraw/zinc/36/26/17/640362617.db2.gz CYZWZAKIPDHVKX-QMMMGPOBSA-N 1 0 228.252 0.189 20 5 BCBDRO C[N@@H+]1CCC[C@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918387929 642195629 /nfs/dbraw/zinc/19/56/29/642195629.db2.gz USPAJLHWXHJZFN-QMMMGPOBSA-N 1 0 210.237 0.886 20 5 BCBDRO O=[N+]([O-])c1cn(CC[NH+]2CCCC2)cn1 ZINC000199167087 644468883 /nfs/dbraw/zinc/46/88/83/644468883.db2.gz FCVQECPXNAZTCE-UHFFFAOYSA-N 1 0 210.237 0.887 20 5 BCBDRO C[N@@H+]1CC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000928557140 645817355 /nfs/dbraw/zinc/81/73/55/645817355.db2.gz WORZRCBDBDKJDE-VIFPVBQESA-N 1 0 243.307 0.642 20 5 BCBDRO COC(=O)[C@@H]1CC12CC[NH+](CC[N+](=O)[O-])CC2 ZINC000929643847 646218833 /nfs/dbraw/zinc/21/88/33/646218833.db2.gz JPRQZIMBNFVNPV-VIFPVBQESA-N 1 0 242.275 0.538 20 5 BCBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929686364 646244082 /nfs/dbraw/zinc/24/40/82/646244082.db2.gz UBMPWKKBEMAVFC-NXEZZACHSA-N 1 0 216.281 0.889 20 5 BCBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929686367 646244664 /nfs/dbraw/zinc/24/46/64/646244664.db2.gz UBMPWKKBEMAVFC-ZJUUUORDSA-N 1 0 216.281 0.889 20 5 BCBDRO C[N@@H+]1CCC[C@H]2CN(CC[N+](=O)[O-])CC[C@H]21 ZINC000929842408 646351283 /nfs/dbraw/zinc/35/12/83/646351283.db2.gz CUCXHSCTFPDBFI-WDEREUQCSA-N 1 0 227.308 0.679 20 5 BCBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC[N+](=O)[O-] ZINC000930104636 646436211 /nfs/dbraw/zinc/43/62/11/646436211.db2.gz CQJQQCRSELSTOL-KOLCDFICSA-N 1 0 244.291 0.975 20 5 BCBDRO CS[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000930128689 646451415 /nfs/dbraw/zinc/45/14/15/646451415.db2.gz NIODLWYWQUJBOW-RKDXNWHRSA-N 1 0 233.337 0.241 20 5 BCBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[N+](=O)[O-] ZINC000930163687 646453735 /nfs/dbraw/zinc/45/37/35/646453735.db2.gz VAEZFCVXOYJVDK-RKDXNWHRSA-N 1 0 201.270 0.288 20 5 BCBDRO COC(=O)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000899872817 711803777 /nfs/dbraw/zinc/80/37/77/711803777.db2.gz FQBXCBRATZYENK-UHFFFAOYSA-N 1 0 231.252 0.084 20 5 BCBDRO C[N@@H+]1CC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000712538966 712443350 /nfs/dbraw/zinc/44/33/50/712443350.db2.gz YGSKEEPAKHENLM-SSDOTTSWSA-N 1 0 237.263 0.688 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714053748 712477698 /nfs/dbraw/zinc/47/76/98/712477698.db2.gz GHVJHNYZSMSCML-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000719571363 712810888 /nfs/dbraw/zinc/81/08/88/712810888.db2.gz GTFKTSGVCGFRDA-VXNVDRBHSA-N 1 0 237.263 0.889 20 5 BCBDRO C[NH2+]CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000086003052 136211836 /nfs/dbraw/zinc/21/18/36/136211836.db2.gz KXGAAXHXWJUJIW-UHFFFAOYSA-N 1 0 210.237 0.930 20 5 BCBDRO C[NH2+]CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602429237 349533748 /nfs/dbraw/zinc/53/37/48/349533748.db2.gz VLUNORVCJLRWCN-UHFFFAOYSA-N 1 0 241.222 0.683 20 5 BCBDRO C[NH2+]CCCn1cc([N+](=O)[O-])ccc1=O ZINC000042410099 361997272 /nfs/dbraw/zinc/99/72/72/361997272.db2.gz IXGUWJUDAVORMA-UHFFFAOYSA-N 1 0 211.221 0.366 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000082577280 398341943 /nfs/dbraw/zinc/34/19/43/398341943.db2.gz HDGJZQQJWCTIFS-SSDOTTSWSA-N 1 0 223.232 0.672 20 5 BCBDRO C[NH2+]C[C@@H](C)CNc1c([N+](=O)[O-])ncn1C ZINC000168342643 136267609 /nfs/dbraw/zinc/26/76/09/136267609.db2.gz IABCMUCLRHVWPR-SSDOTTSWSA-N 1 0 227.268 0.596 20 5 BCBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000041028421 343412506 /nfs/dbraw/zinc/41/25/06/343412506.db2.gz GPLZEAUWSYVJBZ-ZETCQYMHSA-N 1 0 239.231 0.751 20 5 BCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000320662902 344450347 /nfs/dbraw/zinc/45/03/47/344450347.db2.gz IHPSEOGMAUZKCS-NKWVEPMBSA-N 1 0 240.263 0.779 20 5 BCBDRO Cc1cnc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000203535141 346636429 /nfs/dbraw/zinc/63/64/29/346636429.db2.gz USYZHHZFLAJTEJ-MRVPVSSYSA-N 1 0 222.248 0.836 20 5 BCBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000092027852 346751242 /nfs/dbraw/zinc/75/12/42/346751242.db2.gz VZUJNNKRNUMZDI-NXEZZACHSA-N 1 0 248.286 0.954 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH3+] ZINC000020578461 179207042 /nfs/dbraw/zinc/20/70/42/179207042.db2.gz IAHXXOKWMCGDDR-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO C[C@@H](CCO)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593107712 347860005 /nfs/dbraw/zinc/86/00/05/347860005.db2.gz NEMSPYNIRFWSBV-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593669697 347924960 /nfs/dbraw/zinc/92/49/60/347924960.db2.gz BMOXKYFSOUWPPG-AOOOYVTPSA-N 1 0 249.270 0.948 20 5 BCBDRO Cc1nn(C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000594696873 348101077 /nfs/dbraw/zinc/10/10/77/348101077.db2.gz SHJCVPQYITUMSK-MRVPVSSYSA-N 1 0 226.236 0.088 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000595984648 348419176 /nfs/dbraw/zinc/41/91/76/348419176.db2.gz XQPBLLYNARWFEW-ZETCQYMHSA-N 1 0 240.263 0.271 20 5 BCBDRO C[NH+](C)CC1CN(c2ccncc2[N+](=O)[O-])C1 ZINC000596246437 348486383 /nfs/dbraw/zinc/48/63/83/348486383.db2.gz FREWURJGADFDRN-UHFFFAOYSA-N 1 0 236.275 0.988 20 5 BCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000599084798 349090027 /nfs/dbraw/zinc/09/00/27/349090027.db2.gz YPVNCRFYMGVQJO-JZYVYDRUSA-N 1 0 248.286 0.986 20 5 BCBDRO O=[N+]([O-])c1ncccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000159346135 350046834 /nfs/dbraw/zinc/04/68/34/350046834.db2.gz RIWVFOQTSCZPSV-IUCAKERBSA-N 1 0 234.259 0.645 20 5 BCBDRO Cc1nc(N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000124101216 180003879 /nfs/dbraw/zinc/00/38/79/180003879.db2.gz JQAQUNJPTHHIKN-MRVPVSSYSA-N 1 0 222.248 0.836 20 5 BCBDRO C[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159604832 350933556 /nfs/dbraw/zinc/93/35/56/350933556.db2.gz DGYNVXZXUNFEIQ-QMMMGPOBSA-N 1 0 249.270 0.827 20 5 BCBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000344419380 351124069 /nfs/dbraw/zinc/12/40/69/351124069.db2.gz NAQJKNNCRJPVRR-JTQLQIEISA-N 1 0 240.263 0.766 20 5 BCBDRO Cc1c(CNC(=O)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231855971 351411847 /nfs/dbraw/zinc/41/18/47/351411847.db2.gz IURNRJSIMSBAOZ-QMMMGPOBSA-N 1 0 237.259 0.867 20 5 BCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1C[NH2+]C1 ZINC000090289213 363032582 /nfs/dbraw/zinc/03/25/82/363032582.db2.gz NFFBZLANOITWHA-UHFFFAOYSA-N 1 0 236.231 0.688 20 5 BCBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000090322770 363038802 /nfs/dbraw/zinc/03/88/02/363038802.db2.gz FJHFSSVRNBQXOA-OCAPTIKFSA-N 1 0 235.247 0.040 20 5 BCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH3+])c1 ZINC000237189568 191145280 /nfs/dbraw/zinc/14/52/80/191145280.db2.gz JHQVKVQIRRJRKT-UHFFFAOYSA-N 1 0 239.231 0.292 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000082576832 538109451 /nfs/dbraw/zinc/10/94/51/538109451.db2.gz DOCKFBLGQBKWFX-YFKPBYRVSA-N 1 0 213.193 0.265 20 5 BCBDRO O=[N+]([O-])c1ncn(CC[C@H]2CCC[NH2+]C2)n1 ZINC000051919963 188299957 /nfs/dbraw/zinc/29/99/57/188299957.db2.gz IVOXPRHQDVSELY-MRVPVSSYSA-N 1 0 225.252 0.576 20 5 BCBDRO Cc1nc(N[C@@H](C)CC[NH3+])ncc1[N+](=O)[O-] ZINC000420228310 192179474 /nfs/dbraw/zinc/17/94/74/192179474.db2.gz QOXSALDLZJQLPH-LURJTMIESA-N 1 0 225.252 0.842 20 5 BCBDRO NC(=[NH2+])NCCNc1ccccc1[N+](=O)[O-] ZINC000303251382 181189826 /nfs/dbraw/zinc/18/98/26/181189826.db2.gz AEGZXCYCTDQOQP-UHFFFAOYSA-N 1 0 223.236 0.490 20 5 BCBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048041298 181270913 /nfs/dbraw/zinc/27/09/13/181270913.db2.gz WIUJSRAIZBMEQS-SNVBAGLBSA-N 1 0 249.270 0.902 20 5 BCBDRO C[NH2+]CCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000420387348 192235793 /nfs/dbraw/zinc/23/57/93/192235793.db2.gz KDUBZEPJFZPPLX-UHFFFAOYSA-N 1 0 241.295 0.333 20 5 BCBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000048036978 181283723 /nfs/dbraw/zinc/28/37/23/181283723.db2.gz NUHSMJVVIVHCHX-JTQLQIEISA-N 1 0 249.270 0.902 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000074533124 356606025 /nfs/dbraw/zinc/60/60/25/356606025.db2.gz FOMRAUYPLNQBTN-SSDOTTSWSA-N 1 0 223.232 0.672 20 5 BCBDRO Cc1ccc(NC(=O)C[NH3+])cc1[N+](=O)[O-] ZINC000019488875 356636924 /nfs/dbraw/zinc/63/69/24/356636924.db2.gz BNZWRSCKXGRDHW-UHFFFAOYSA-N 1 0 209.205 0.800 20 5 BCBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000389723199 356930110 /nfs/dbraw/zinc/93/01/10/356930110.db2.gz INZXCLMEDOTLAL-APPZFPTMSA-N 1 0 237.263 0.795 20 5 BCBDRO [NH3+]C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000088130740 181325538 /nfs/dbraw/zinc/32/55/38/181325538.db2.gz NRAQXTOTVXYZLI-UHFFFAOYSA-N 1 0 249.270 0.745 20 5 BCBDRO [NH3+]C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000237797088 181326292 /nfs/dbraw/zinc/32/62/92/181326292.db2.gz ZKKRZLYYXBNCBS-UHFFFAOYSA-N 1 0 249.270 0.745 20 5 BCBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000079617785 370679558 /nfs/dbraw/zinc/67/95/58/370679558.db2.gz WBWAZYLDIKFVDK-RKDXNWHRSA-N 1 0 234.259 0.645 20 5 BCBDRO CC1CC[NH+](CCn2cnc([N+](=O)[O-])n2)CC1 ZINC000154241267 201271264 /nfs/dbraw/zinc/27/12/64/201271264.db2.gz KWNAOKMBDLMWFP-UHFFFAOYSA-N 1 0 239.279 0.918 20 5 BCBDRO [NH3+]CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000177942245 181351547 /nfs/dbraw/zinc/35/15/47/181351547.db2.gz JGNZXWWFRBKNRA-UHFFFAOYSA-N 1 0 238.247 0.082 20 5 BCBDRO [NH3+]CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237859835 181367671 /nfs/dbraw/zinc/36/76/71/181367671.db2.gz DXINEBXLLDGXAX-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO [NH3+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000125859136 181382471 /nfs/dbraw/zinc/38/24/71/181382471.db2.gz JTIOZDVKOBYMHG-UHFFFAOYSA-N 1 0 241.222 0.813 20 5 BCBDRO [NH3+]CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000579593657 366882877 /nfs/dbraw/zinc/88/28/77/366882877.db2.gz ZSPSGLDHSBDWSE-UHFFFAOYSA-N 1 0 239.279 0.387 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000050228585 181586904 /nfs/dbraw/zinc/58/69/04/181586904.db2.gz VWYBOKMRYVVVLN-ZCFIWIBFSA-N 1 0 241.272 0.830 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000050228546 181649946 /nfs/dbraw/zinc/64/99/46/181649946.db2.gz KYVNIYXXHUUHJL-JTQLQIEISA-N 1 0 249.270 0.697 20 5 BCBDRO C[C@@H]1C[C@H]([NH3+])CN1CCn1ccc([N+](=O)[O-])n1 ZINC000601329634 371748373 /nfs/dbraw/zinc/74/83/73/371748373.db2.gz LMDUOXDLFYHJDO-BDAKNGLRSA-N 1 0 239.279 0.213 20 5 BCBDRO C[C@H](C[NH3+])N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429638 371895221 /nfs/dbraw/zinc/89/52/21/371895221.db2.gz NSKAJUATMHYNOG-SSDOTTSWSA-N 1 0 227.268 0.107 20 5 BCBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000133581910 182225706 /nfs/dbraw/zinc/22/57/06/182225706.db2.gz XLLRCKRXYKUIAB-SECBINFHSA-N 1 0 249.270 0.934 20 5 BCBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000053253770 182237416 /nfs/dbraw/zinc/23/74/16/182237416.db2.gz ADGQOYBOZKJSHC-SSDOTTSWSA-N 1 0 239.231 0.670 20 5 BCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000052093171 182304361 /nfs/dbraw/zinc/30/43/61/182304361.db2.gz PUWMRYLTVNETJR-SECBINFHSA-N 1 0 235.243 0.687 20 5 BCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000052093176 182336003 /nfs/dbraw/zinc/33/60/03/182336003.db2.gz SUSLRSVWKMZKLC-QMMMGPOBSA-N 1 0 235.243 0.687 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH3+] ZINC000111303030 383850613 /nfs/dbraw/zinc/85/06/13/383850613.db2.gz JBPCRHALDYLQLY-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000111302902 383852776 /nfs/dbraw/zinc/85/27/76/383852776.db2.gz SLHGQEQJVMETHI-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO COC[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000111892869 383882275 /nfs/dbraw/zinc/88/22/75/383882275.db2.gz FFJZZPIFOQSLDC-NSHDSACASA-N 1 0 240.259 0.692 20 5 BCBDRO O=C(C[NH2+]C1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000050015960 383890184 /nfs/dbraw/zinc/89/01/84/383890184.db2.gz BHLHFWSZEPQYRA-UHFFFAOYSA-N 1 0 249.270 0.963 20 5 BCBDRO C[N@H+](C[C@H](O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000310426753 384165726 /nfs/dbraw/zinc/16/57/26/384165726.db2.gz MBESDKFSXQJUOI-VIFPVBQESA-N 1 0 240.263 0.246 20 5 BCBDRO C[N@@H+]1CC[C@H](Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187655662 384166109 /nfs/dbraw/zinc/16/61/09/384166109.db2.gz BMYDVHOQJDTKIW-VIFPVBQESA-N 1 0 237.259 0.708 20 5 BCBDRO C[C@@H]1CN(C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000408113610 134396278 /nfs/dbraw/zinc/39/62/78/134396278.db2.gz UCEAQMWIYWSYHZ-MRVPVSSYSA-N 1 0 239.279 0.469 20 5 BCBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000336657405 384245449 /nfs/dbraw/zinc/24/54/49/384245449.db2.gz LWZBLFDPWMAAEB-LURJTMIESA-N 1 0 226.236 0.390 20 5 BCBDRO C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000286399590 384300288 /nfs/dbraw/zinc/30/02/88/384300288.db2.gz LMXOCMKMTGHMAH-LURJTMIESA-N 1 0 240.267 0.329 20 5 BCBDRO C[C@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178132139 384503087 /nfs/dbraw/zinc/50/30/87/384503087.db2.gz ZGMXANCXKGSCSB-ZETCQYMHSA-N 1 0 235.243 0.831 20 5 BCBDRO COC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000070980159 384487018 /nfs/dbraw/zinc/48/70/18/384487018.db2.gz KIXGEJWSOLMHEH-NSHDSACASA-N 1 0 240.259 0.692 20 5 BCBDRO O=[N+]([O-])c1cccc(C[NH2+]C(CO)CO)c1 ZINC000083690678 384826551 /nfs/dbraw/zinc/82/65/51/384826551.db2.gz QVWBYQDGESKEQL-UHFFFAOYSA-N 1 0 226.232 0.038 20 5 BCBDRO Cc1c(C(=O)N[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000104215707 384813614 /nfs/dbraw/zinc/81/36/14/384813614.db2.gz XNPBZUCPVVZACX-SSDOTTSWSA-N 1 0 237.259 0.980 20 5 BCBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599003695 385088294 /nfs/dbraw/zinc/08/82/94/385088294.db2.gz LWMSLSISKKBEJG-MGCOHNPYSA-N 1 0 249.270 0.948 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH3+] ZINC000063020191 385704595 /nfs/dbraw/zinc/70/45/95/385704595.db2.gz DYMDJIPUGJTLHC-UHFFFAOYSA-N 1 0 240.263 0.400 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000237380373 386505777 /nfs/dbraw/zinc/50/57/77/386505777.db2.gz ZAOSJGRDEOZDHN-LURJTMIESA-N 1 0 243.288 0.981 20 5 BCBDRO C[NH2+]CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414817165 386653853 /nfs/dbraw/zinc/65/38/53/386653853.db2.gz ADCPJIQMRJUEBQ-UHFFFAOYSA-N 1 0 239.275 0.912 20 5 BCBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269187811 387031392 /nfs/dbraw/zinc/03/13/92/387031392.db2.gz GNYKCSLQVXFEID-ZCFIWIBFSA-N 1 0 226.236 0.342 20 5 BCBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000346134216 387016932 /nfs/dbraw/zinc/01/69/32/387016932.db2.gz BWHKVZAMMQBFMJ-SSDOTTSWSA-N 1 0 241.247 0.868 20 5 BCBDRO Cc1n[nH]c(C(=O)N(C)[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000269244071 387172344 /nfs/dbraw/zinc/17/23/44/387172344.db2.gz ZBGFDQKHZNBLDU-RXMQYKEDSA-N 1 0 241.251 0.046 20 5 BCBDRO Cc1sc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000237696396 387372128 /nfs/dbraw/zinc/37/21/28/387372128.db2.gz KNLGCZOCHUVFKI-UHFFFAOYSA-N 1 0 229.261 0.653 20 5 BCBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)nc1 ZINC000054128560 387347326 /nfs/dbraw/zinc/34/73/26/387347326.db2.gz FLNULMVIGHUNLF-UHFFFAOYSA-N 1 0 237.263 0.893 20 5 BCBDRO C[NH+](C)C1CN(c2ccncc2[N+](=O)[O-])C1 ZINC000361074249 387396174 /nfs/dbraw/zinc/39/61/74/387396174.db2.gz SRNNEIMXVMQELW-UHFFFAOYSA-N 1 0 222.248 0.740 20 5 BCBDRO C[C@@H](C[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000054345648 387510546 /nfs/dbraw/zinc/51/05/46/387510546.db2.gz SFNKVYMEBPOVIA-QMMMGPOBSA-N 1 0 237.259 0.806 20 5 BCBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415029891 387672385 /nfs/dbraw/zinc/67/23/85/387672385.db2.gz DJFSMQLWHUFXFL-IAZYJMLFSA-N 1 0 233.271 0.902 20 5 BCBDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000137110570 177799338 /nfs/dbraw/zinc/79/93/38/177799338.db2.gz QFQRMMIFXJCJHX-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO C[NH2+][C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000054074472 388023013 /nfs/dbraw/zinc/02/30/13/388023013.db2.gz SELHGIWSGZXFSB-QMMMGPOBSA-N 1 0 237.259 0.819 20 5 BCBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372431439 388260491 /nfs/dbraw/zinc/26/04/91/388260491.db2.gz MRWIULZVUVVFTR-JDDHQFAOSA-N 1 0 239.275 0.132 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](CO)C2)c1 ZINC000304492546 388359039 /nfs/dbraw/zinc/35/90/39/388359039.db2.gz MHDJXPYFPWVLJE-SECBINFHSA-N 1 0 240.263 0.106 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1N1CC([NH+](C)C)C1 ZINC000271714537 388398821 /nfs/dbraw/zinc/39/88/21/388398821.db2.gz IAGVKDIXPFFWTQ-UHFFFAOYSA-N 1 0 225.252 0.079 20 5 BCBDRO Cc1ccc(C[NH2+]C[C@H](O)CO)cc1[N+](=O)[O-] ZINC000090282377 388403329 /nfs/dbraw/zinc/40/33/29/388403329.db2.gz PWCBGJBDNLWTSJ-JTQLQIEISA-N 1 0 240.259 0.346 20 5 BCBDRO C[NH2+]CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000211567484 388532579 /nfs/dbraw/zinc/53/25/79/388532579.db2.gz NSAXIHFEQIUHJD-WAYWQWQTSA-N 1 0 249.270 0.944 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000082584598 388728430 /nfs/dbraw/zinc/72/84/30/388728430.db2.gz WAQJIGSHEXWXSS-ZETCQYMHSA-N 1 0 223.232 0.672 20 5 BCBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000351951578 134016786 /nfs/dbraw/zinc/01/67/86/134016786.db2.gz LNHOCVWEZTXBLO-IUCAKERBSA-N 1 0 240.263 0.104 20 5 BCBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](C)O ZINC000352228995 134110858 /nfs/dbraw/zinc/11/08/58/134110858.db2.gz BURMXAFDCMQNTQ-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO C[N@@H+]1CC[C@@H](Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000187684769 134476990 /nfs/dbraw/zinc/47/69/90/134476990.db2.gz DGZCSEZMRRISOH-SECBINFHSA-N 1 0 237.259 0.708 20 5 BCBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000261888243 135259895 /nfs/dbraw/zinc/25/98/95/135259895.db2.gz BQBPPONOAKAVKC-UHFFFAOYSA-N 1 0 249.270 0.473 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])s1 ZINC000261910845 135262654 /nfs/dbraw/zinc/26/26/54/135262654.db2.gz YBRDIDKECNQWRG-ZCFIWIBFSA-N 1 0 228.277 0.849 20 5 BCBDRO O=C(NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000261981000 135268821 /nfs/dbraw/zinc/26/88/21/135268821.db2.gz WIVJOPHCWHZICW-UHFFFAOYSA-N 1 0 225.204 0.137 20 5 BCBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000262447681 135299331 /nfs/dbraw/zinc/29/93/31/135299331.db2.gz JFFJQANIUAJUCR-SSDOTTSWSA-N 1 0 241.247 0.916 20 5 BCBDRO [NH3+][C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000346037225 135909087 /nfs/dbraw/zinc/90/90/87/135909087.db2.gz ILJMUFKUANLHNY-VIFPVBQESA-N 1 0 239.279 0.214 20 5 BCBDRO C[NH2+]CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000054244244 322856858 /nfs/dbraw/zinc/85/68/58/322856858.db2.gz NSAXIHFEQIUHJD-AATRIKPKSA-N 1 0 249.270 0.944 20 5 BCBDRO C[C@]1(O)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177985203 398102875 /nfs/dbraw/zinc/10/28/75/398102875.db2.gz QTYHHQIMXTXJNR-JTQLQIEISA-N 1 0 240.263 0.248 20 5 BCBDRO CC[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000358921439 170140472 /nfs/dbraw/zinc/14/04/72/170140472.db2.gz AOVMLYLTTZTAEC-ZETCQYMHSA-N 1 0 240.263 0.651 20 5 BCBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000358927159 170157391 /nfs/dbraw/zinc/15/73/91/170157391.db2.gz GFALHFPNBRHURN-SSDOTTSWSA-N 1 0 240.263 0.651 20 5 BCBDRO Cc1nc(NC[C@H]([NH3+])C2CC2)ncc1[N+](=O)[O-] ZINC000420220922 411774630 /nfs/dbraw/zinc/77/46/30/411774630.db2.gz XFHLHYWTTOQIJB-QMMMGPOBSA-N 1 0 237.263 0.842 20 5 BCBDRO Cc1nc(NC[C@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC000420216117 411775960 /nfs/dbraw/zinc/77/59/60/411775960.db2.gz LTUCMISCTCUAKM-ZCFIWIBFSA-N 1 0 225.252 0.700 20 5 BCBDRO C[C@H]([NH3+])[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596012834 412215623 /nfs/dbraw/zinc/21/56/23/412215623.db2.gz AXSZCYLYHHQSTK-WDSKDSINSA-N 1 0 225.252 0.720 20 5 BCBDRO C[NH2+]C[C@H](C)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420190672 412292592 /nfs/dbraw/zinc/29/25/92/412292592.db2.gz HDZWAZMBUXVOFU-ZETCQYMHSA-N 1 0 239.279 0.961 20 5 BCBDRO C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040454555 172999415 /nfs/dbraw/zinc/99/94/15/172999415.db2.gz PAWGRKHCUYVRPO-UHFFFAOYSA-N 1 0 237.263 0.891 20 5 BCBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454701 173118018 /nfs/dbraw/zinc/11/80/18/173118018.db2.gz NHAQPXKYOHGAQD-QMMMGPOBSA-N 1 0 237.263 0.748 20 5 BCBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454698 173146303 /nfs/dbraw/zinc/14/63/03/173146303.db2.gz NHAQPXKYOHGAQD-MRVPVSSYSA-N 1 0 237.263 0.748 20 5 BCBDRO CNC(=O)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000353067938 173226771 /nfs/dbraw/zinc/22/67/71/173226771.db2.gz OGHZAZQXSZANTF-UHFFFAOYSA-N 1 0 249.270 0.773 20 5 BCBDRO CNC(=O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000035011539 173277730 /nfs/dbraw/zinc/27/77/30/173277730.db2.gz URAMETNHDJWGJZ-UHFFFAOYSA-N 1 0 237.259 0.739 20 5 BCBDRO C[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000054244378 173355779 /nfs/dbraw/zinc/35/57/79/173355779.db2.gz LKDLHBWTUWJISL-UHFFFAOYSA-N 1 0 223.232 0.544 20 5 BCBDRO C[NH2+]C[C@@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000129578866 173364280 /nfs/dbraw/zinc/36/42/80/173364280.db2.gz PAQKPICXBLEQKR-SSDOTTSWSA-N 1 0 241.295 0.904 20 5 BCBDRO C[NH2+]C[C@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000129578644 173375270 /nfs/dbraw/zinc/37/52/70/173375270.db2.gz PAQKPICXBLEQKR-ZETCQYMHSA-N 1 0 241.295 0.904 20 5 BCBDRO C[C@@H](C[NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000054345515 175705622 /nfs/dbraw/zinc/70/56/22/175705622.db2.gz NQZZLDVXCDUZHY-QMMMGPOBSA-N 1 0 237.259 0.806 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000054370221 176327086 /nfs/dbraw/zinc/32/70/86/176327086.db2.gz QJKOGEWJZVGXTR-SSDOTTSWSA-N 1 0 239.231 0.622 20 5 BCBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340886777 176382068 /nfs/dbraw/zinc/38/20/68/176382068.db2.gz DHVKEIXQJYJISO-RKDXNWHRSA-N 1 0 240.263 0.246 20 5 BCBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340886773 177337811 /nfs/dbraw/zinc/33/78/11/177337811.db2.gz DHVKEIXQJYJISO-DTWKUNHWSA-N 1 0 240.263 0.246 20 5 BCBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000052092962 177569718 /nfs/dbraw/zinc/56/97/18/177569718.db2.gz XKRPBALWNXYEEQ-VIFPVBQESA-N 1 0 249.270 0.995 20 5 BCBDRO CCC[N@H+](CC)C[C@@H](C)NCC[N+](=O)[O-] ZINC000905263658 637717496 /nfs/dbraw/zinc/71/74/96/637717496.db2.gz ODPZWPGFLMPHHO-SNVBAGLBSA-N 1 0 217.313 0.973 20 5 BCBDRO CC(C)(C)C[C@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905354716 637772563 /nfs/dbraw/zinc/77/25/63/637772563.db2.gz PEFPZQQOWLVLRA-QMMMGPOBSA-N 1 0 204.270 0.650 20 5 BCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000320696328 323183366 /nfs/dbraw/zinc/18/33/66/323183366.db2.gz NIXSPGDTNSPXSW-RQJHMYQMSA-N 1 0 240.263 0.779 20 5 BCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC[NH3+] ZINC000564954582 325833160 /nfs/dbraw/zinc/83/31/60/325833160.db2.gz LJCIMWRFQDYULI-UHFFFAOYSA-N 1 0 238.247 0.329 20 5 BCBDRO CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000566799985 326084510 /nfs/dbraw/zinc/08/45/10/326084510.db2.gz NXNQLGGCNAMDCJ-SECBINFHSA-N 1 0 239.279 0.085 20 5 BCBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000568087211 326306464 /nfs/dbraw/zinc/30/64/64/326306464.db2.gz VMVDXOYMEOTTEK-UHNVWZDZSA-N 1 0 241.251 0.092 20 5 BCBDRO C[NH+](C)CCONC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000854946968 588818230 /nfs/dbraw/zinc/81/82/30/588818230.db2.gz CKQGIRQLGUWXES-UHFFFAOYSA-N 1 0 242.235 0.146 20 5 BCBDRO C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134755785 582500201 /nfs/dbraw/zinc/50/02/01/582500201.db2.gz JYDGTTIKGXBNHP-LDYMZIIASA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+](C)C ZINC000855416874 588831984 /nfs/dbraw/zinc/83/19/84/588831984.db2.gz CBKFMAUICSGMKX-DJLDLDEBSA-N 1 0 229.280 0.108 20 5 BCBDRO COC[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000739868865 583370939 /nfs/dbraw/zinc/37/09/39/583370939.db2.gz GJTYIFWVDOJKJW-VIFPVBQESA-N 1 0 240.263 0.717 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOc1ccccc1 ZINC000899859275 584242802 /nfs/dbraw/zinc/24/28/02/584242802.db2.gz IJPHILPUABKRLV-UHFFFAOYSA-N 1 0 210.233 0.932 20 5 BCBDRO COc1ccc([C@@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899869319 584244100 /nfs/dbraw/zinc/24/41/00/584244100.db2.gz CKPCFCQVGNSYCV-NSHDSACASA-N 1 0 240.259 0.595 20 5 BCBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNCC[N+](=O)[O-] ZINC000899890402 584245891 /nfs/dbraw/zinc/24/58/91/584245891.db2.gz BNBIZEIQQOYFKT-SECBINFHSA-N 1 0 215.297 0.726 20 5 BCBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000839716607 585338528 /nfs/dbraw/zinc/33/85/28/585338528.db2.gz DSYBCTMFIBORIN-UTINFBMNSA-N 1 0 241.291 0.203 20 5 BCBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000839763235 585339161 /nfs/dbraw/zinc/33/91/61/585339161.db2.gz MEASHIIXXYWYQS-IVZWLZJFSA-N 1 0 241.291 0.204 20 5 BCBDRO NC(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000787732231 585915055 /nfs/dbraw/zinc/91/50/55/585915055.db2.gz XFWGKOAJEMRXKU-SNVBAGLBSA-N 1 0 243.307 0.677 20 5 BCBDRO C[C@H](O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051571 585972765 /nfs/dbraw/zinc/97/27/65/585972765.db2.gz FKRFRZISAIBMAK-QMMMGPOBSA-N 1 0 202.254 0.356 20 5 BCBDRO C[N@H+](CCCn1ccnc1)CC[N+](=O)[O-] ZINC000791055450 585973030 /nfs/dbraw/zinc/97/30/30/585973030.db2.gz ULRJFORQCVELQU-UHFFFAOYSA-N 1 0 212.253 0.482 20 5 BCBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053205 585973444 /nfs/dbraw/zinc/97/34/44/585973444.db2.gz BPJWFCBQGZUHSM-MRVPVSSYSA-N 1 0 202.254 0.498 20 5 BCBDRO CC1([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)OCCO1 ZINC000791053772 585973448 /nfs/dbraw/zinc/97/34/48/585973448.db2.gz GKDKVGHXMFTXIQ-SNVBAGLBSA-N 1 0 244.291 0.738 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1CCO ZINC000798195447 586139959 /nfs/dbraw/zinc/13/99/59/586139959.db2.gz NNORNQFBSRQLAO-VIFPVBQESA-N 1 0 202.254 0.500 20 5 BCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000817496809 586808356 /nfs/dbraw/zinc/80/83/56/586808356.db2.gz VZJXCKBECSNUAC-IVZWLZJFSA-N 1 0 241.291 0.204 20 5 BCBDRO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)(C)C1 ZINC000840407027 587078217 /nfs/dbraw/zinc/07/82/17/587078217.db2.gz GGWUSYZKYBZAOF-RKDXNWHRSA-N 1 0 241.291 0.204 20 5 BCBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C ZINC000822458318 587169237 /nfs/dbraw/zinc/16/92/37/587169237.db2.gz RZECIEXEXQVILQ-VIFPVBQESA-N 1 0 245.323 0.888 20 5 BCBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000832491556 587663104 /nfs/dbraw/zinc/66/31/04/587663104.db2.gz YBPCRBPEDQFWLU-ZYUZMQFOSA-N 1 0 241.291 0.251 20 5 BCBDRO O=C(OCCCn1ccnc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673496 587916268 /nfs/dbraw/zinc/91/62/68/587916268.db2.gz QHOYOPOBYYZLED-RKDXNWHRSA-N 1 0 239.231 0.482 20 5 BCBDRO CN(CC[NH3+])C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842509704 588031803 /nfs/dbraw/zinc/03/18/03/588031803.db2.gz KVOSSVYXSPJZJB-UHFFFAOYSA-N 1 0 238.247 0.208 20 5 BCBDRO CC(C)[C@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642864 589387545 /nfs/dbraw/zinc/38/75/45/589387545.db2.gz YMVHWZQEFJWHIM-VIFPVBQESA-N 1 0 241.295 0.989 20 5 BCBDRO Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000867996254 589543046 /nfs/dbraw/zinc/54/30/46/589543046.db2.gz WFTYFHPZCFIERJ-ZJUUUORDSA-N 1 0 249.270 0.867 20 5 BCBDRO CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870862565 589691797 /nfs/dbraw/zinc/69/17/97/589691797.db2.gz VIGBZRRSBZLYLY-SNVBAGLBSA-N 1 0 223.232 0.515 20 5 BCBDRO C[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123551786 589750128 /nfs/dbraw/zinc/75/01/28/589750128.db2.gz CKSGTKUCAKQJDU-KCJUWKMLSA-N 1 0 240.259 0.599 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000885960540 592116079 /nfs/dbraw/zinc/11/60/79/592116079.db2.gz MNDFGYPOWHUODI-QWRGUYRKSA-N 1 0 248.286 0.641 20 5 BCBDRO C[C@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886827673 592351393 /nfs/dbraw/zinc/35/13/93/592351393.db2.gz PLXBVDTUBPLVRB-VIFPVBQESA-N 1 0 236.275 0.784 20 5 BCBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000886830589 592354968 /nfs/dbraw/zinc/35/49/68/592354968.db2.gz URIAEZYCNHUYBD-VIFPVBQESA-N 1 0 236.275 0.784 20 5 BCBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1cccnc1[N+](=O)[O-] ZINC000886841260 592360642 /nfs/dbraw/zinc/36/06/42/592360642.db2.gz GNCQVORPHXNSSC-WCBMZHEXSA-N 1 0 236.275 0.911 20 5 BCBDRO C[C@H]([NH3+])CN(C)Cc1cccnc1[N+](=O)[O-] ZINC000886841853 592362179 /nfs/dbraw/zinc/36/21/79/592362179.db2.gz YKDQCOBCNHFIQZ-QMMMGPOBSA-N 1 0 224.264 0.769 20 5 BCBDRO CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022065171 631324650 /nfs/dbraw/zinc/32/46/50/631324650.db2.gz UFIZNLBBYHSJBL-UTINFBMNSA-N 1 0 241.291 0.298 20 5 BCBDRO C[C@H]1C[C@@H](CO)C[N@H+](CC[N+](=O)[O-])C1 ZINC000930751399 634088365 /nfs/dbraw/zinc/08/83/65/634088365.db2.gz ZQVKGQVLVMBNSW-DTWKUNHWSA-N 1 0 202.254 0.213 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1cccnc1-n1ccnc1 ZINC000905040935 637559540 /nfs/dbraw/zinc/55/95/40/637559540.db2.gz ONPPDDPEALUESD-UHFFFAOYSA-N 1 0 247.258 0.634 20 5 BCBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905028290 637576006 /nfs/dbraw/zinc/57/60/06/637576006.db2.gz ZWIYMPGNQNNVPN-UHFFFAOYSA-N 1 0 237.259 0.283 20 5 BCBDRO CC[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905029080 637576545 /nfs/dbraw/zinc/57/65/45/637576545.db2.gz YRGIANURVVQMAC-UHFFFAOYSA-N 1 0 201.270 0.337 20 5 BCBDRO NC(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905028313 637576973 /nfs/dbraw/zinc/57/69/73/637576973.db2.gz ZECPRKLPKUELMZ-UHFFFAOYSA-N 1 0 223.232 0.152 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1nccs1 ZINC000905079115 637579407 /nfs/dbraw/zinc/57/94/07/637579407.db2.gz FHGCFUBORNLNND-UHFFFAOYSA-N 1 0 201.251 0.552 20 5 BCBDRO C[C@@H](CNCC[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000905055971 637587466 /nfs/dbraw/zinc/58/74/66/637587466.db2.gz UWGYORJRHCQIQM-NSHDSACASA-N 1 0 229.324 0.975 20 5 BCBDRO O=[N+]([O-])CCNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000905058948 637591122 /nfs/dbraw/zinc/59/11/22/637591122.db2.gz LARIYCDKLMWFLU-VIFPVBQESA-N 1 0 213.281 0.337 20 5 BCBDRO O=[N+]([O-])CCN[C@H]1CC[N@H+](CC2CC2)C1 ZINC000905103045 637611650 /nfs/dbraw/zinc/61/16/50/637611650.db2.gz WWFHDWTTYJQVAV-JTQLQIEISA-N 1 0 213.281 0.337 20 5 BCBDRO C[NH+](C)[C@H]1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905156944 637638252 /nfs/dbraw/zinc/63/82/52/637638252.db2.gz WZSMTDKZGNPQJW-ZJUUUORDSA-N 1 0 215.297 0.726 20 5 BCBDRO CC(C)C[N@@H+]1CC[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905158930 637640075 /nfs/dbraw/zinc/64/00/75/637640075.db2.gz LTBZTXXFXZTJBI-NSHDSACASA-N 1 0 229.324 0.831 20 5 BCBDRO CCNC(=O)C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905184243 637665851 /nfs/dbraw/zinc/66/58/51/637665851.db2.gz VTFBNCYGXJJVEQ-UHFFFAOYSA-N 1 0 217.269 0.015 20 5 BCBDRO C[C@H]1C[C@@H](NCC[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000905160973 637673906 /nfs/dbraw/zinc/67/39/06/637673906.db2.gz RGQODTGAZXLTDB-DTWKUNHWSA-N 1 0 213.281 0.478 20 5 BCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC[N+](=O)[O-] ZINC000905161256 637674564 /nfs/dbraw/zinc/67/45/64/637674564.db2.gz WHFZFWHHZKYZES-WCBMZHEXSA-N 1 0 213.281 0.335 20 5 BCBDRO CC(C)C[C@H](CCO)C[NH2+]CC[N+](=O)[O-] ZINC000905171255 637681965 /nfs/dbraw/zinc/68/19/65/637681965.db2.gz UKYWOXHDNFWABO-JTQLQIEISA-N 1 0 218.297 0.897 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000905176109 637685605 /nfs/dbraw/zinc/68/56/05/637685605.db2.gz KQOUPPNXBRZOBN-ZJUUUORDSA-N 1 0 246.332 0.907 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000905198919 637691559 /nfs/dbraw/zinc/69/15/59/637691559.db2.gz CPPSQKSGKLYFGY-VIFPVBQESA-N 1 0 230.264 0.538 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000905199607 637694614 /nfs/dbraw/zinc/69/46/14/637694614.db2.gz HWBCIMRVMNYIMQ-SNVBAGLBSA-N 1 0 244.291 0.929 20 5 BCBDRO CC1(CC[NH2+]CC[N+](=O)[O-])OCCO1 ZINC000905213090 637699604 /nfs/dbraw/zinc/69/96/04/637699604.db2.gz MUQHWPXBCQBDAO-UHFFFAOYSA-N 1 0 204.226 0.006 20 5 BCBDRO CCC[N@@H+]1CCC[C@H]1CNCC[N+](=O)[O-] ZINC000905258571 637713947 /nfs/dbraw/zinc/71/39/47/637713947.db2.gz YTSZCSJTTYTVIU-JTQLQIEISA-N 1 0 215.297 0.727 20 5 BCBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905242743 637726228 /nfs/dbraw/zinc/72/62/28/637726228.db2.gz KGQNGTNKANRAOF-JTQLQIEISA-N 1 0 229.324 0.973 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCC[C@H]1CCOC1 ZINC000905278818 637734748 /nfs/dbraw/zinc/73/47/48/637734748.db2.gz HJJABGBAIUHUKW-VIFPVBQESA-N 1 0 202.254 0.669 20 5 BCBDRO CC[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905287975 637739592 /nfs/dbraw/zinc/73/95/92/637739592.db2.gz KCQMRJUMEDDEAW-DTWKUNHWSA-N 1 0 202.254 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000905352152 637771784 /nfs/dbraw/zinc/77/17/84/637771784.db2.gz DBQLIFJQVNNHTH-RKDXNWHRSA-N 1 0 202.254 0.404 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@H](O)C(F)(F)F ZINC000905349658 637769376 /nfs/dbraw/zinc/76/93/76/637769376.db2.gz KOHJNCWSJSGDJD-YFKPBYRVSA-N 1 0 216.159 0.166 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](CO)Cc1ccccc1 ZINC000905349708 637769769 /nfs/dbraw/zinc/76/97/69/637769769.db2.gz MHJBKTSYQZSFJE-NSHDSACASA-N 1 0 224.260 0.456 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(CO)cc1 ZINC000905350343 637771498 /nfs/dbraw/zinc/77/14/98/637771498.db2.gz MTFDAEMHGCNGOG-UHFFFAOYSA-N 1 0 224.260 0.588 20 5 BCBDRO Cc1ccccc1C[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905357449 637776945 /nfs/dbraw/zinc/77/69/45/637776945.db2.gz LPJMEUXPDXDQQL-LBPRGKRZSA-N 1 0 238.287 0.765 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000905343549 637781902 /nfs/dbraw/zinc/78/19/02/637781902.db2.gz ZNOUTZXFAQQENE-LBPRGKRZSA-N 1 0 238.287 0.704 20 5 BCBDRO CCOC(=O)C1=CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905384999 637784261 /nfs/dbraw/zinc/78/42/61/637784261.db2.gz MWGYDMSBTFJJPO-VIFPVBQESA-N 1 0 228.248 0.505 20 5 BCBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]CC[N+](=O)[O-] ZINC000905364407 637788456 /nfs/dbraw/zinc/78/84/56/637788456.db2.gz JFCVMBOCDAQETL-BDAKNGLRSA-N 1 0 228.248 0.958 20 5 BCBDRO Cc1cccc(C[C@@H](CO)[NH2+]CC[N+](=O)[O-])c1 ZINC000905367636 637789624 /nfs/dbraw/zinc/78/96/24/637789624.db2.gz LEDUIGBKAHKRRQ-LBPRGKRZSA-N 1 0 238.287 0.765 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000905620711 637859859 /nfs/dbraw/zinc/85/98/59/637859859.db2.gz VIUNHKJQZWTYSI-LLVKDONJSA-N 1 0 243.307 0.106 20 5 BCBDRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]2C1 ZINC000905655382 637872366 /nfs/dbraw/zinc/87/23/66/637872366.db2.gz WAPXTUMFSLVIOI-RGOKHQFPSA-N 1 0 242.275 0.440 20 5 BCBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1nccc1[N+](=O)[O-] ZINC000905731442 637901172 /nfs/dbraw/zinc/90/11/72/637901172.db2.gz KYJOVSWCMRVQNP-SFYZADRCSA-N 1 0 210.237 0.647 20 5 BCBDRO COC(=O)CC1([NH2+]CC[N+](=O)[O-])CCCC1 ZINC000930274736 639678876 /nfs/dbraw/zinc/67/88/76/639678876.db2.gz HMOMIULRXRSQLZ-UHFFFAOYSA-N 1 0 230.264 0.729 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000930569788 639811830 /nfs/dbraw/zinc/81/18/30/639811830.db2.gz ASFVZUWUHAQDMU-SECBINFHSA-N 1 0 214.265 0.643 20 5 BCBDRO C[C@@H]1CN(CC[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000930586893 639814665 /nfs/dbraw/zinc/81/46/65/639814665.db2.gz FOOIDOIMBZSHGO-SNVBAGLBSA-N 1 0 227.308 0.679 20 5 BCBDRO COC[C@@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930603558 639817391 /nfs/dbraw/zinc/81/73/91/639817391.db2.gz JMJQPAMNPLOGGK-VIFPVBQESA-N 1 0 202.254 0.622 20 5 BCBDRO CN(C)C(=O)C1([NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000930617530 639824404 /nfs/dbraw/zinc/82/44/04/639824404.db2.gz NGNCCDUSCGPPNR-UHFFFAOYSA-N 1 0 243.307 0.644 20 5 BCBDRO CC[N@@H+]1CCCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930711207 639876099 /nfs/dbraw/zinc/87/60/99/639876099.db2.gz IWDLPWMOMMHZJI-SNVBAGLBSA-N 1 0 215.297 0.679 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000930753723 639897216 /nfs/dbraw/zinc/89/72/16/639897216.db2.gz GGLSJYPHXOOREB-SECBINFHSA-N 1 0 214.265 0.643 20 5 BCBDRO COC(=O)[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1C ZINC000930805801 639910336 /nfs/dbraw/zinc/91/03/36/639910336.db2.gz VAAGJVJNZCKNOA-HTQZYQBOSA-N 1 0 216.237 0.004 20 5 BCBDRO C[C@@H](CO)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930855759 639951521 /nfs/dbraw/zinc/95/15/21/639951521.db2.gz HJSGQRMLIYDVGO-VIFPVBQESA-N 1 0 216.281 0.604 20 5 BCBDRO CN(CC[N+](=O)[O-])CC[NH+]1CCCCC1 ZINC000930866905 639960099 /nfs/dbraw/zinc/96/00/99/639960099.db2.gz ZBZWFYYLCDBBMH-UHFFFAOYSA-N 1 0 215.297 0.681 20 5 BCBDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000930908535 639980342 /nfs/dbraw/zinc/98/03/42/639980342.db2.gz ZEJANYRSWAXOIT-VGMNWLOBSA-N 1 0 229.280 0.237 20 5 BCBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000930908533 639981135 /nfs/dbraw/zinc/98/11/35/639981135.db2.gz ZEJANYRSWAXOIT-HRDYMLBCSA-N 1 0 229.280 0.237 20 5 BCBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC[N+](=O)[O-])C1 ZINC000930928204 639992443 /nfs/dbraw/zinc/99/24/43/639992443.db2.gz OQUHBGDQDKFYRK-GMTAPVOTSA-N 1 0 246.307 0.419 20 5 BCBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC[N+](=O)[O-])C1 ZINC000930928206 639993555 /nfs/dbraw/zinc/99/35/55/639993555.db2.gz OQUHBGDQDKFYRK-MXWKQRLJSA-N 1 0 246.307 0.419 20 5 BCBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC[N+](=O)[O-])C1 ZINC000930928205 639994115 /nfs/dbraw/zinc/99/41/15/639994115.db2.gz OQUHBGDQDKFYRK-HBNTYKKESA-N 1 0 246.307 0.419 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000931021734 640026924 /nfs/dbraw/zinc/02/69/24/640026924.db2.gz KFXFDCQCQUDQDS-JGVFFNPUSA-N 1 0 200.238 0.156 20 5 BCBDRO CC(C)(O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931610662 640288321 /nfs/dbraw/zinc/28/83/21/640288321.db2.gz DKWAWCGCORZKKK-VIFPVBQESA-N 1 0 216.281 0.746 20 5 BCBDRO COCC1([N@H+](C)CC[N+](=O)[O-])CCC1 ZINC000931623491 640294296 /nfs/dbraw/zinc/29/42/96/640294296.db2.gz RPOGHPQIGVWYRL-UHFFFAOYSA-N 1 0 202.254 0.764 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000931706799 640329853 /nfs/dbraw/zinc/32/98/53/640329853.db2.gz LDCAWSPENUXGJX-JTQLQIEISA-N 1 0 244.291 0.127 20 5 BCBDRO COC[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000229092942 640921454 /nfs/dbraw/zinc/92/14/54/640921454.db2.gz HVMHCNHIXWRZJR-JTQLQIEISA-N 1 0 240.259 0.692 20 5 BCBDRO C[C@H](Cc1cccnc1)[NH2+]CC[N+](=O)[O-] ZINC000934225256 641104771 /nfs/dbraw/zinc/10/47/71/641104771.db2.gz KMMLCEPTCDOTSU-SECBINFHSA-N 1 0 209.249 0.879 20 5 BCBDRO CC(C)OCC[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929764789 641509195 /nfs/dbraw/zinc/50/91/95/641509195.db2.gz URXPVJYXNRCOQK-UHFFFAOYSA-N 1 0 245.323 0.306 20 5 BCBDRO COC(=O)CCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929815418 641659852 /nfs/dbraw/zinc/65/98/52/641659852.db2.gz DOHLDSTZSCGWHD-UHFFFAOYSA-N 1 0 244.291 0.928 20 5 BCBDRO C[N@@H+]1CCC[C@@H]1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000917110384 642012357 /nfs/dbraw/zinc/01/23/57/642012357.db2.gz QHUVINWQYLRQCT-SECBINFHSA-N 1 0 237.259 0.851 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000082577155 643347373 /nfs/dbraw/zinc/34/73/73/643347373.db2.gz ZPJZJQSLGOTPFJ-LURJTMIESA-N 1 0 226.236 0.010 20 5 BCBDRO O=[N+]([O-])CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000929285188 643919246 /nfs/dbraw/zinc/91/92/46/643919246.db2.gz YKKGKACAZFHCBU-NSHDSACASA-N 1 0 227.308 0.823 20 5 BCBDRO CN(CC[NH3+])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923381027 644393763 /nfs/dbraw/zinc/39/37/63/644393763.db2.gz ZJVLCWZTSLJFSA-LLVKDONJSA-N 1 0 239.275 0.519 20 5 BCBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886839633 645890882 /nfs/dbraw/zinc/89/08/82/645890882.db2.gz JAUFOGFRRCKYHF-WPRPVWTQSA-N 1 0 236.275 0.911 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839355 645890984 /nfs/dbraw/zinc/89/09/84/645890984.db2.gz CGPPGGMRMWGVLX-KOLCDFICSA-N 1 0 248.286 0.784 20 5 BCBDRO CC[N@H+](CC[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000929285605 646062456 /nfs/dbraw/zinc/06/24/56/646062456.db2.gz BOOBLPAYVXXHRB-VIFPVBQESA-N 1 0 202.254 0.622 20 5 BCBDRO CC[N@H+](CC[N+](=O)[O-])C[C@H]1CCOC1 ZINC000929285604 646063187 /nfs/dbraw/zinc/06/31/87/646063187.db2.gz BOOBLPAYVXXHRB-SECBINFHSA-N 1 0 202.254 0.622 20 5 BCBDRO Cn1cc(C[C@H]2CC[N@H+](CC[N+](=O)[O-])C2)cn1 ZINC000929766944 646296876 /nfs/dbraw/zinc/29/68/76/646296876.db2.gz BTVUJGLISYFPCN-SNVBAGLBSA-N 1 0 238.291 0.561 20 5 BCBDRO CCOC[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929780934 646309208 /nfs/dbraw/zinc/30/92/08/646309208.db2.gz SJSYKMNVKRPOEU-SECBINFHSA-N 1 0 202.254 0.622 20 5 BCBDRO O=[N+]([O-])CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000929836134 646349687 /nfs/dbraw/zinc/34/96/87/646349687.db2.gz QEWGZUCTJDXAEA-UHFFFAOYSA-N 1 0 236.275 0.480 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000930071231 646420940 /nfs/dbraw/zinc/42/09/40/646420940.db2.gz FEKLDHILGRARMR-UWVGGRQHSA-N 1 0 214.265 0.622 20 5 BCBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000721026457 712886981 /nfs/dbraw/zinc/88/69/81/712886981.db2.gz CTLHPASSDOOMBS-RQJHMYQMSA-N 1 0 211.225 0.042 20 5 BCBDRO C[N@@H+]1CCC[C@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000916575117 711873115 /nfs/dbraw/zinc/87/31/15/711873115.db2.gz IPDBQSSBPCQYGB-QMMMGPOBSA-N 1 0 210.237 0.886 20 5 BCBDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000717391506 712653818 /nfs/dbraw/zinc/65/38/18/712653818.db2.gz BAPPIFFPHYFFPM-KWQFWETISA-N 1 0 240.259 0.426 20 5 BCBDRO C[C@@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000719570487 712811089 /nfs/dbraw/zinc/81/10/89/712811089.db2.gz DVMUNSCKSHJNJS-HTQZYQBOSA-N 1 0 239.279 0.833 20 5 BCBDRO Cc1cc(N2CC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000086003022 136211841 /nfs/dbraw/zinc/21/18/41/136211841.db2.gz JUBJHNWUUHGYCX-QMMMGPOBSA-N 1 0 222.248 0.836 20 5 BCBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000092027851 178121302 /nfs/dbraw/zinc/12/13/02/178121302.db2.gz VZUJNNKRNUMZDI-AOOOYVTPSA-N 1 0 248.286 0.954 20 5 BCBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000046275733 343108355 /nfs/dbraw/zinc/10/83/55/343108355.db2.gz PIQKWXBLVYDQDI-ZETCQYMHSA-N 1 0 241.247 0.868 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)n1 ZINC000088036516 136284180 /nfs/dbraw/zinc/28/41/80/136284180.db2.gz JPCOWOMREZNSHW-QMMMGPOBSA-N 1 0 222.248 0.836 20 5 BCBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]2)nc1 ZINC000166853522 136364230 /nfs/dbraw/zinc/36/42/30/136364230.db2.gz DZSNBTLTRSCBKO-MRVPVSSYSA-N 1 0 237.263 0.939 20 5 BCBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000310573231 343541457 /nfs/dbraw/zinc/54/14/57/343541457.db2.gz ZVSMWGWMXUCGSO-JTQLQIEISA-N 1 0 242.279 0.492 20 5 BCBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000379842613 343638461 /nfs/dbraw/zinc/63/84/61/343638461.db2.gz CANZULBYOLIYFS-ZETCQYMHSA-N 1 0 240.263 0.780 20 5 BCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000381681272 344534825 /nfs/dbraw/zinc/53/48/25/344534825.db2.gz DCTCEEGIAKRAIC-WDSKDSINSA-N 1 0 226.236 0.388 20 5 BCBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075682449 344784463 /nfs/dbraw/zinc/78/44/63/344784463.db2.gz PBLGYNPLKOFQNT-VIFPVBQESA-N 1 0 228.252 0.104 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](O)C1 ZINC000061708590 345840505 /nfs/dbraw/zinc/84/05/05/345840505.db2.gz GCMHCIVBBUEUHT-VIFPVBQESA-N 1 0 240.263 0.166 20 5 BCBDRO Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000052092968 179024277 /nfs/dbraw/zinc/02/42/77/179024277.db2.gz IWWMNISZFNEENO-VIFPVBQESA-N 1 0 249.270 0.995 20 5 BCBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429204 349951004 /nfs/dbraw/zinc/95/10/04/349951004.db2.gz MOPNCJSLVKQMCG-CBAPKCEASA-N 1 0 239.279 0.250 20 5 BCBDRO Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000092027853 346751079 /nfs/dbraw/zinc/75/10/79/346751079.db2.gz VZUJNNKRNUMZDI-UWVGGRQHSA-N 1 0 248.286 0.954 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+]CC1 ZINC000020362706 179207056 /nfs/dbraw/zinc/20/70/56/179207056.db2.gz HZMWSNFMANAGIG-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H]1CC[NH2+]C1 ZINC000592158952 347745826 /nfs/dbraw/zinc/74/58/26/347745826.db2.gz ZQNPLZRJRAOLJZ-MRVPVSSYSA-N 1 0 210.237 0.709 20 5 BCBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)cc1CO ZINC000592169485 347747105 /nfs/dbraw/zinc/74/71/05/347747105.db2.gz OCLHFYNUWHQJKU-UHFFFAOYSA-N 1 0 238.243 0.685 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH3+] ZINC000051355050 347904410 /nfs/dbraw/zinc/90/44/10/347904410.db2.gz UGQXTBNYLHKYFG-UHFFFAOYSA-N 1 0 226.236 0.012 20 5 BCBDRO CC(C)([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650176 348088953 /nfs/dbraw/zinc/08/89/53/348088953.db2.gz UISQQCKKELNWEZ-UHFFFAOYSA-N 1 0 248.246 0.764 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000595982648 348417213 /nfs/dbraw/zinc/41/72/13/348417213.db2.gz KXEAASMZXDFSPX-MRVPVSSYSA-N 1 0 237.259 0.933 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000595982663 348417532 /nfs/dbraw/zinc/41/75/32/348417532.db2.gz LCBGTEQLIMIBLM-QMMMGPOBSA-N 1 0 237.259 0.933 20 5 BCBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000595933047 348393661 /nfs/dbraw/zinc/39/36/61/348393661.db2.gz GIIHLOBFEZZGSU-UHFFFAOYSA-N 1 0 241.251 0.127 20 5 BCBDRO C[NH+](C)C[C@@H](CO)Nc1cccnc1[N+](=O)[O-] ZINC000596245301 348485880 /nfs/dbraw/zinc/48/58/80/348485880.db2.gz XCHGSAZZQNXMOU-QMMMGPOBSA-N 1 0 240.263 0.324 20 5 BCBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000596248036 348472570 /nfs/dbraw/zinc/47/25/70/348472570.db2.gz VSXSOHHCPMXRLH-UHFFFAOYSA-N 1 0 236.275 0.988 20 5 BCBDRO Cc1nc(N2CC([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000297474155 180000598 /nfs/dbraw/zinc/00/05/98/180000598.db2.gz LCYWEDBYEQZVEG-UHFFFAOYSA-N 1 0 237.263 0.443 20 5 BCBDRO Cc1nc(NCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295539623 180017686 /nfs/dbraw/zinc/01/76/86/180017686.db2.gz TYVHETHCSZYIFN-UHFFFAOYSA-N 1 0 225.252 0.667 20 5 BCBDRO C[NH2+]CCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000086237685 351051392 /nfs/dbraw/zinc/05/13/92/351051392.db2.gz AFVWIJCZPTWRNX-UHFFFAOYSA-N 1 0 225.248 0.674 20 5 BCBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052893365 351076523 /nfs/dbraw/zinc/07/65/23/351076523.db2.gz OSBKMSVIHJMFJO-UHFFFAOYSA-N 1 0 226.236 0.214 20 5 BCBDRO O=C(NCCn1ccnc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000344438771 351129071 /nfs/dbraw/zinc/12/90/71/351129071.db2.gz ZSNIFUKOZJAULH-UHFFFAOYSA-N 1 0 249.230 0.549 20 5 BCBDRO C[C@@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000063170283 351266322 /nfs/dbraw/zinc/26/63/22/351266322.db2.gz XKMIRGJCFUOASA-ZCFIWIBFSA-N 1 0 226.236 0.390 20 5 BCBDRO O=[N+]([O-])c1ccc(CNC(CO)CO)c(F)c1 ZINC000383313049 352731171 /nfs/dbraw/zinc/73/11/71/352731171.db2.gz RCQVWZYFIFFYHW-UHFFFAOYSA-N 1 0 244.222 0.177 20 5 BCBDRO CNC(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000044990422 188297479 /nfs/dbraw/zinc/29/74/79/188297479.db2.gz LVIXLMUHLZKVAB-UHFFFAOYSA-N 1 0 243.288 0.882 20 5 BCBDRO NC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000360288611 181188913 /nfs/dbraw/zinc/18/89/13/181188913.db2.gz CSHHEEHLMMRXAM-UHFFFAOYSA-N 1 0 208.221 0.620 20 5 BCBDRO Cc1n[nH]c(C(=O)N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000349947717 355533519 /nfs/dbraw/zinc/53/35/19/355533519.db2.gz FMLLRZLMBLFUHG-RXMQYKEDSA-N 1 0 241.251 0.093 20 5 BCBDRO Cc1nc(N[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420218349 192193555 /nfs/dbraw/zinc/19/35/55/192193555.db2.gz MOWYEPSFVBSTSL-QMMMGPOBSA-N 1 0 237.263 0.857 20 5 BCBDRO Cc1nc(N2CC[NH2+][C@H](C)C2)ncc1[N+](=O)[O-] ZINC000420248768 192186873 /nfs/dbraw/zinc/18/68/73/192186873.db2.gz WRELRMOXDFOSML-SSDOTTSWSA-N 1 0 237.263 0.491 20 5 BCBDRO Cc1nc(N[C@H](C)[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000420254524 192188155 /nfs/dbraw/zinc/18/81/55/192188155.db2.gz AARHSUBMLVVJDJ-NTSWFWBYSA-N 1 0 225.252 0.841 20 5 BCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174818678 134283538 /nfs/dbraw/zinc/28/35/38/134283538.db2.gz SNBFUUWQSJDSHU-UHFFFAOYSA-N 1 0 210.237 0.886 20 5 BCBDRO CC[C@@H](CO)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000451158487 202364170 /nfs/dbraw/zinc/36/41/70/202364170.db2.gz ZCVMCSMLCKUIHW-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H](F)C2)n1 ZINC000451187374 202373949 /nfs/dbraw/zinc/37/39/49/202373949.db2.gz NFPKWTWNOMEFGX-QMMMGPOBSA-N 1 0 228.227 0.835 20 5 BCBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000429661464 201124189 /nfs/dbraw/zinc/12/41/89/201124189.db2.gz PPGRAEANQQBEHF-UHFFFAOYSA-N 1 0 241.251 0.093 20 5 BCBDRO C[C@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668511 364457416 /nfs/dbraw/zinc/45/74/16/364457416.db2.gz HOPOGWAEGWKEAX-QMMMGPOBSA-N 1 0 237.259 0.948 20 5 BCBDRO [NH3+]CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000336652753 181377377 /nfs/dbraw/zinc/37/73/77/181377377.db2.gz IXQATRVJBQPVOM-UHFFFAOYSA-N 1 0 226.236 0.392 20 5 BCBDRO [NH3+]CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000019474672 181381985 /nfs/dbraw/zinc/38/19/85/181381985.db2.gz YKJRERGNWZQUMK-UHFFFAOYSA-N 1 0 223.232 0.673 20 5 BCBDRO C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810233 367985029 /nfs/dbraw/zinc/98/50/29/367985029.db2.gz SRQRNUUVWFLWJG-QMMMGPOBSA-N 1 0 237.259 0.900 20 5 BCBDRO Cc1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000161529043 370008046 /nfs/dbraw/zinc/00/80/46/370008046.db2.gz VQOZWAUIVOVNDF-NXEZZACHSA-N 1 0 248.286 0.954 20 5 BCBDRO Cc1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000161529170 370022014 /nfs/dbraw/zinc/02/20/14/370022014.db2.gz VQOZWAUIVOVNDF-UWVGGRQHSA-N 1 0 248.286 0.954 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[NH3+] ZINC000111301950 370125561 /nfs/dbraw/zinc/12/55/61/370125561.db2.gz PZRDDUVDBXJOLI-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000129177317 181618403 /nfs/dbraw/zinc/61/84/03/181618403.db2.gz ARLWQMRTKACADE-SSDOTTSWSA-N 1 0 238.247 0.390 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH3+] ZINC000020578464 371300089 /nfs/dbraw/zinc/30/00/89/371300089.db2.gz HXBMOWQMXHXJBH-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000132454654 181649892 /nfs/dbraw/zinc/64/98/92/181649892.db2.gz CLOXEOWUBLVSGM-JTQLQIEISA-N 1 0 249.270 0.697 20 5 BCBDRO CN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000603429308 371895571 /nfs/dbraw/zinc/89/55/71/371895571.db2.gz NDAJHDUTSXTGSS-SECBINFHSA-N 1 0 239.279 0.122 20 5 BCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000052093083 182304184 /nfs/dbraw/zinc/30/41/84/182304184.db2.gz UMLJDDNOITVSHY-ZCFIWIBFSA-N 1 0 225.204 0.280 20 5 BCBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000071397195 182329607 /nfs/dbraw/zinc/32/96/07/182329607.db2.gz BARYQRVVTGCUTD-ZETCQYMHSA-N 1 0 239.231 0.670 20 5 BCBDRO CCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075674802 169078427 /nfs/dbraw/zinc/07/84/27/169078427.db2.gz XCVSAKZJWKJGLF-JTQLQIEISA-N 1 0 242.279 0.494 20 5 BCBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054263945 169258997 /nfs/dbraw/zinc/25/89/97/169258997.db2.gz XJDTXHFJBXYXAH-UHFFFAOYSA-N 1 0 240.263 0.652 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111302877 383851107 /nfs/dbraw/zinc/85/11/07/383851107.db2.gz BEMQDQUPWANBMR-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@@]1(O)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177977052 383993482 /nfs/dbraw/zinc/99/34/82/383993482.db2.gz XPDMTQVADNQOHF-SNVBAGLBSA-N 1 0 240.263 0.248 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000050228285 383976744 /nfs/dbraw/zinc/97/67/44/383976744.db2.gz FTRZGHNBPPYXAW-MRVPVSSYSA-N 1 0 235.243 0.768 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000050228547 383977275 /nfs/dbraw/zinc/97/72/75/383977275.db2.gz KYVNIYXXHUUHJL-SNVBAGLBSA-N 1 0 249.270 0.697 20 5 BCBDRO C[N@@H+]1CC[C@H](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187678949 384375442 /nfs/dbraw/zinc/37/54/42/384375442.db2.gz UTUDUBDEQGGELE-QMMMGPOBSA-N 1 0 210.237 0.743 20 5 BCBDRO Cc1cc(C(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000128128622 384583164 /nfs/dbraw/zinc/58/31/64/384583164.db2.gz NAAMTQLPOWKBCK-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO COC[C@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070589964 384593994 /nfs/dbraw/zinc/59/39/94/384593994.db2.gz HVGVHQKBVJRQIP-MRVPVSSYSA-N 1 0 246.288 0.753 20 5 BCBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000179198821 384642322 /nfs/dbraw/zinc/64/23/22/384642322.db2.gz XNWXWYBRPDXGIL-UHFFFAOYSA-N 1 0 237.259 0.851 20 5 BCBDRO CN(CC[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165861877 384701680 /nfs/dbraw/zinc/70/16/80/384701680.db2.gz IYLZBILVDYAZEA-UHFFFAOYSA-N 1 0 241.222 0.765 20 5 BCBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000599003698 385088373 /nfs/dbraw/zinc/08/83/73/385088373.db2.gz MBORFQZCSIOAKC-MGCOHNPYSA-N 1 0 249.270 0.948 20 5 BCBDRO C[NH2+]CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000085426997 385177946 /nfs/dbraw/zinc/17/79/46/385177946.db2.gz BPSFCCOWLNUFSS-UHFFFAOYSA-N 1 0 210.237 0.930 20 5 BCBDRO C[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237207258 385635029 /nfs/dbraw/zinc/63/50/29/385635029.db2.gz GVANUMCKTPCYBE-UHFFFAOYSA-N 1 0 249.270 0.699 20 5 BCBDRO CC(C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000063020197 385702954 /nfs/dbraw/zinc/70/29/54/385702954.db2.gz MNJPHOMIMPJFRW-UHFFFAOYSA-N 1 0 226.236 0.390 20 5 BCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000382996994 385816977 /nfs/dbraw/zinc/81/69/77/385816977.db2.gz LVAODXZMFXBUEO-LURJTMIESA-N 1 0 226.236 0.342 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]([NH+](C)C)C1 ZINC000263979836 386288817 /nfs/dbraw/zinc/28/88/17/386288817.db2.gz AUBGXENTQUNQEH-QMMMGPOBSA-N 1 0 239.279 0.469 20 5 BCBDRO O=[N+]([O-])c1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000093092006 386617667 /nfs/dbraw/zinc/61/76/67/386617667.db2.gz KYMLLTWYRAKBNG-PHIMTYICSA-N 1 0 238.243 0.132 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000184944273 386827889 /nfs/dbraw/zinc/82/78/89/386827889.db2.gz ZDEUXLANTRAJFY-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000184944254 386829018 /nfs/dbraw/zinc/82/90/18/386829018.db2.gz ZDEUXLANTRAJFY-QMMMGPOBSA-N 1 0 237.259 0.601 20 5 BCBDRO C[C@@H](C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000054340078 387475688 /nfs/dbraw/zinc/47/56/88/387475688.db2.gz GUUWWAILBTUPDL-QMMMGPOBSA-N 1 0 237.259 0.806 20 5 BCBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000372431438 388260381 /nfs/dbraw/zinc/26/03/81/388260381.db2.gz MRWIULZVUVVFTR-CVPUBMOQSA-N 1 0 239.275 0.132 20 5 BCBDRO CN(CC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000054416841 388518830 /nfs/dbraw/zinc/51/88/30/388518830.db2.gz NYXREVMMOWQRKA-UHFFFAOYSA-N 1 0 209.249 0.985 20 5 BCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH3+] ZINC000422692708 388685372 /nfs/dbraw/zinc/68/53/72/388685372.db2.gz KVHFSCSFNSLEFS-UHFFFAOYSA-N 1 0 237.259 0.900 20 5 BCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000424080077 388693922 /nfs/dbraw/zinc/69/39/22/388693922.db2.gz HNVBUEOFCUDFJU-DTWKUNHWSA-N 1 0 235.243 0.558 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1C[NH3+] ZINC000430546146 388728260 /nfs/dbraw/zinc/72/82/60/388728260.db2.gz JCGGMLNBMYFXAK-QMMMGPOBSA-N 1 0 239.279 0.251 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000082584601 388729119 /nfs/dbraw/zinc/72/91/19/388729119.db2.gz ZQCUEFZZALPOHR-SSDOTTSWSA-N 1 0 223.232 0.672 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cn1 ZINC000054375224 132364301 /nfs/dbraw/zinc/36/43/01/132364301.db2.gz HDUCHXGIUDFNEP-MRVPVSSYSA-N 1 0 222.248 0.788 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000261891608 135261063 /nfs/dbraw/zinc/26/10/63/135261063.db2.gz UBCUFHXDMLKZNQ-SECBINFHSA-N 1 0 239.279 0.085 20 5 BCBDRO O=C(NCC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000262035206 135275053 /nfs/dbraw/zinc/27/50/53/135275053.db2.gz PQSLJLVYPSKHPJ-UHFFFAOYSA-N 1 0 235.243 0.544 20 5 BCBDRO C[C@H](O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000177026996 397840500 /nfs/dbraw/zinc/84/05/00/397840500.db2.gz ZZKDEHMJCSUTDE-QMMMGPOBSA-N 1 0 228.252 0.104 20 5 BCBDRO C[NH2+]C[C@@H](C)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420190667 411391653 /nfs/dbraw/zinc/39/16/53/411391653.db2.gz HDZWAZMBUXVOFU-SSDOTTSWSA-N 1 0 239.279 0.961 20 5 BCBDRO CCOCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000093312572 170390067 /nfs/dbraw/zinc/39/00/67/170390067.db2.gz VQYAPNWTKJWLGY-UHFFFAOYSA-N 1 0 242.279 0.760 20 5 BCBDRO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000600676639 412164219 /nfs/dbraw/zinc/16/42/19/412164219.db2.gz ZAFUFRGTNXJJKZ-POYBYMJQSA-N 1 0 237.263 0.734 20 5 BCBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[NH2+]C1 ZINC000071310103 172341492 /nfs/dbraw/zinc/34/14/92/172341492.db2.gz DDIMPPRFAUXZPD-ZETCQYMHSA-N 1 0 238.247 0.357 20 5 BCBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000278729637 173199351 /nfs/dbraw/zinc/19/93/51/173199351.db2.gz KUQRDSSZBZZHQA-AOOOYVTPSA-N 1 0 248.286 0.988 20 5 BCBDRO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000269987048 173320259 /nfs/dbraw/zinc/32/02/59/173320259.db2.gz SRHQKWVSADUDJF-UHFFFAOYSA-N 1 0 240.267 0.377 20 5 BCBDRO C[NH2+]CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766532 173333175 /nfs/dbraw/zinc/33/31/75/173333175.db2.gz WOOZAOBKWMTLDP-MRVPVSSYSA-N 1 0 237.259 0.991 20 5 BCBDRO C[NH2+]CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000037472412 173348602 /nfs/dbraw/zinc/34/86/02/173348602.db2.gz ACVRFJNXZOBFCW-UHFFFAOYSA-N 1 0 243.288 0.996 20 5 BCBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000036280308 173349040 /nfs/dbraw/zinc/34/90/40/173349040.db2.gz WKTKOUKIAONVIU-UHFFFAOYSA-N 1 0 226.236 0.262 20 5 BCBDRO C[NH2+]CCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000070062590 173354672 /nfs/dbraw/zinc/35/46/72/173354672.db2.gz BVDRNMZTPORTKD-UHFFFAOYSA-N 1 0 224.264 0.954 20 5 BCBDRO C[NH2+]CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000054244036 173355850 /nfs/dbraw/zinc/35/58/50/173355850.db2.gz QCYXROSEAMBEQY-UHFFFAOYSA-N 1 0 229.261 0.606 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054244090 173355922 /nfs/dbraw/zinc/35/59/22/173355922.db2.gz QKWWCCPIWYDSKF-UHFFFAOYSA-N 1 0 241.222 0.683 20 5 BCBDRO C[NH2+]CCNc1ncc([N+](=O)[O-])cc1C ZINC000054244896 173356643 /nfs/dbraw/zinc/35/66/43/173356643.db2.gz ONFUVMNJARBEAN-UHFFFAOYSA-N 1 0 210.237 0.930 20 5 BCBDRO C[NH2+]CCNc1nccc(C)c1[N+](=O)[O-] ZINC000070062879 173357128 /nfs/dbraw/zinc/35/71/28/173357128.db2.gz IXHTVXMIIDMPOE-UHFFFAOYSA-N 1 0 210.237 0.930 20 5 BCBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000147894863 173463685 /nfs/dbraw/zinc/46/36/85/173463685.db2.gz XGFOAHBYHJHYHD-ZETCQYMHSA-N 1 0 238.247 0.357 20 5 BCBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000310433726 175672269 /nfs/dbraw/zinc/67/22/69/175672269.db2.gz QSVHVLYYVUFURB-ZETCQYMHSA-N 1 0 240.263 0.400 20 5 BCBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000340906166 177337221 /nfs/dbraw/zinc/33/72/21/177337221.db2.gz KQWJTCSBJZROAM-WCBMZHEXSA-N 1 0 240.263 0.246 20 5 BCBDRO CCC1(O)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929722108 646272858 /nfs/dbraw/zinc/27/28/58/646272858.db2.gz JAKXNJPINUWHLQ-UHFFFAOYSA-N 1 0 202.254 0.500 20 5 BCBDRO CNC(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418406 323123817 /nfs/dbraw/zinc/12/38/17/323123817.db2.gz OZGUZEPDWSMMQP-SNVBAGLBSA-N 1 0 249.270 0.918 20 5 BCBDRO O=[N+]([O-])c1cnc(N2CCC[NH2+]CC2)c(F)c1 ZINC000571659734 323169661 /nfs/dbraw/zinc/16/96/61/323169661.db2.gz GNYTUIKZFCJPLI-UHFFFAOYSA-N 1 0 240.238 0.929 20 5 BCBDRO C[NH2+]CCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000565539107 325924867 /nfs/dbraw/zinc/92/48/67/325924867.db2.gz VMDJCWRUJCDDNI-UHFFFAOYSA-N 1 0 229.211 0.505 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000899861224 584242514 /nfs/dbraw/zinc/24/25/14/584242514.db2.gz XZLCAXFMQKKGMW-VIFPVBQESA-N 1 0 238.243 0.693 20 5 BCBDRO O=C(CC[NH2+]CC[N+](=O)[O-])N1CCCCC1 ZINC000899871871 584244496 /nfs/dbraw/zinc/24/44/96/584244496.db2.gz UQLOQFNJMDPUPK-UHFFFAOYSA-N 1 0 229.280 0.255 20 5 BCBDRO Cc1nn(C)c(C)c1CNCC[N+](=O)[O-] ZINC000899875529 584245443 /nfs/dbraw/zinc/24/54/43/584245443.db2.gz HCIPRJHQHUOOQK-UHFFFAOYSA-N 1 0 212.253 0.403 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCOC[C@@H]1CCCO1 ZINC000899865563 584245669 /nfs/dbraw/zinc/24/56/69/584245669.db2.gz IEPKMWDENGOXSJ-JTQLQIEISA-N 1 0 232.280 0.438 20 5 BCBDRO Cc1ccncc1CC[NH2+]CC[N+](=O)[O-] ZINC000899890713 584246206 /nfs/dbraw/zinc/24/62/06/584246206.db2.gz HBJIMKFNGBNEIS-UHFFFAOYSA-N 1 0 209.249 0.799 20 5 BCBDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839525736 585105674 /nfs/dbraw/zinc/10/56/74/585105674.db2.gz YWRYULPCRSIPTN-NXEZZACHSA-N 1 0 243.307 0.498 20 5 BCBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000839639647 585335123 /nfs/dbraw/zinc/33/51/23/585335123.db2.gz BYZYXFMRZWTRCK-SZEHBUNVSA-N 1 0 241.291 0.251 20 5 BCBDRO C[NH+](C)CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC000839754519 585340458 /nfs/dbraw/zinc/34/04/58/585340458.db2.gz QYFIZVVGMRXWEG-RKDXNWHRSA-N 1 0 241.291 0.252 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)C2CC2)c1 ZINC000771812494 585600997 /nfs/dbraw/zinc/60/09/97/585600997.db2.gz IQTLCHFXBXGOFS-SNVBAGLBSA-N 1 0 240.263 0.152 20 5 BCBDRO O=C1CN(CC[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000791052393 585972779 /nfs/dbraw/zinc/97/27/79/585972779.db2.gz MTTLDAYHRRLWSE-RKDXNWHRSA-N 1 0 227.264 0.006 20 5 BCBDRO COC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791051422 585972829 /nfs/dbraw/zinc/97/28/29/585972829.db2.gz CTKPWNODOGXKAN-VIFPVBQESA-N 1 0 202.254 0.622 20 5 BCBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053759 585973361 /nfs/dbraw/zinc/97/33/61/585973361.db2.gz GHENQUCUQWOIKI-BDAKNGLRSA-N 1 0 202.254 0.498 20 5 BCBDRO O=[N+]([O-])CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000791053683 585973371 /nfs/dbraw/zinc/97/33/71/585973371.db2.gz VYXSJDWAIQHPCP-LLVKDONJSA-N 1 0 227.308 0.823 20 5 BCBDRO CN(C)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819892880 587001352 /nfs/dbraw/zinc/00/13/52/587001352.db2.gz NTYKTBZXPXCYRZ-UHFFFAOYSA-N 1 0 238.247 0.677 20 5 BCBDRO C[NH2+]CCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823268970 587212859 /nfs/dbraw/zinc/21/28/59/587212859.db2.gz AERWSVGCGHXJHJ-UHFFFAOYSA-N 1 0 238.203 1.000 20 5 BCBDRO C[C@@H](C[NH+](C)C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832015861 587642639 /nfs/dbraw/zinc/64/26/39/587642639.db2.gz BOJAAADNNJCYRG-VIFPVBQESA-N 1 0 245.323 0.888 20 5 BCBDRO O=C(OCC[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672552 587915915 /nfs/dbraw/zinc/91/59/15/587915915.db2.gz BEKRUPXCUUPOMV-NXEZZACHSA-N 1 0 242.275 0.681 20 5 BCBDRO C[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843071825 588078880 /nfs/dbraw/zinc/07/88/80/588078880.db2.gz OJAFNLIOASTPDW-KWQFWETISA-N 1 0 240.259 0.599 20 5 BCBDRO CN(C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870852687 589691625 /nfs/dbraw/zinc/69/16/25/589691625.db2.gz KTWVNNPQXCGFQL-LLVKDONJSA-N 1 0 237.259 0.857 20 5 BCBDRO CN(C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870852688 589691648 /nfs/dbraw/zinc/69/16/48/589691648.db2.gz KTWVNNPQXCGFQL-NSHDSACASA-N 1 0 237.259 0.857 20 5 BCBDRO C[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134755748 591948902 /nfs/dbraw/zinc/94/89/02/591948902.db2.gz JYDGTTIKGXBNHP-KCJUWKMLSA-N 1 0 240.259 0.599 20 5 BCBDRO C[N@H+](CCO)CCNc1cccnc1[N+](=O)[O-] ZINC000884823743 592022456 /nfs/dbraw/zinc/02/24/56/592022456.db2.gz CKEIZBGBQKEHQQ-UHFFFAOYSA-N 1 0 240.263 0.326 20 5 BCBDRO [NH3+]C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827271 592351399 /nfs/dbraw/zinc/35/13/99/592351399.db2.gz IJQMVEMTTKEZQW-VIFPVBQESA-N 1 0 236.275 0.770 20 5 BCBDRO CN(CC[NH3+])Cc1cccnc1[N+](=O)[O-] ZINC000886839765 592359649 /nfs/dbraw/zinc/35/96/49/592359649.db2.gz LPWQKNWRPVNUDC-UHFFFAOYSA-N 1 0 210.237 0.380 20 5 BCBDRO CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064694 631324549 /nfs/dbraw/zinc/32/45/49/631324549.db2.gz KZTVFOBBBJJVTM-UTINFBMNSA-N 1 0 241.291 0.297 20 5 BCBDRO C[C@@H]1COC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000925563159 634048156 /nfs/dbraw/zinc/04/81/56/634048156.db2.gz ASFSVGHWVDFBSY-SCZZXKLOSA-N 1 0 240.263 0.416 20 5 BCBDRO C[C@H]1C[C@H](CO)C[N@H+](CC[N+](=O)[O-])C1 ZINC000930751400 634089452 /nfs/dbraw/zinc/08/94/52/634089452.db2.gz ZQVKGQVLVMBNSW-IUCAKERBSA-N 1 0 202.254 0.213 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000905034421 637555797 /nfs/dbraw/zinc/55/57/97/637555797.db2.gz LAQNGGZDMFVPAC-UHFFFAOYSA-N 1 0 247.258 0.634 20 5 BCBDRO Cc1csc(CC[NH2+]CC[N+](=O)[O-])n1 ZINC000905041263 637559741 /nfs/dbraw/zinc/55/97/41/637559741.db2.gz QRAIAENSLINJFY-UHFFFAOYSA-N 1 0 215.278 0.860 20 5 BCBDRO O=[N+]([O-])CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000905047737 637566861 /nfs/dbraw/zinc/56/68/61/637566861.db2.gz VWYOQLOMVGJETN-NXEZZACHSA-N 1 0 213.281 0.480 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOC1CCCC1 ZINC000905053913 637568736 /nfs/dbraw/zinc/56/87/36/637568736.db2.gz DGTVUQNGEULWQG-UHFFFAOYSA-N 1 0 202.254 0.812 20 5 BCBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Cn1cccn1 ZINC000905050888 637569634 /nfs/dbraw/zinc/56/96/34/637569634.db2.gz RMGSRTZWURODTC-SECBINFHSA-N 1 0 212.253 0.386 20 5 BCBDRO CN(CC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905028545 637578232 /nfs/dbraw/zinc/57/82/32/637578232.db2.gz VRQLVJJNLRSFBU-UHFFFAOYSA-N 1 0 223.276 0.989 20 5 BCBDRO O=C(CC[NH2+]CC[N+](=O)[O-])N1CCCCCC1 ZINC000905079390 637580886 /nfs/dbraw/zinc/58/08/86/637580886.db2.gz HFDMPRTYYIAJDW-UHFFFAOYSA-N 1 0 243.307 0.645 20 5 BCBDRO Cn1cc(CCC[NH2+]CC[N+](=O)[O-])cn1 ZINC000905084880 637585596 /nfs/dbraw/zinc/58/55/96/637585596.db2.gz VXBTZBYOLAQADR-UHFFFAOYSA-N 1 0 212.253 0.219 20 5 BCBDRO CC[NH+](CC)[C@H](C)CNCC[N+](=O)[O-] ZINC000905112958 637618385 /nfs/dbraw/zinc/61/83/85/637618385.db2.gz YTNZEGYPEBRAOW-SECBINFHSA-N 1 0 203.286 0.583 20 5 BCBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]CC[N+](=O)[O-] ZINC000905158093 637638754 /nfs/dbraw/zinc/63/87/54/637638754.db2.gz DLOMRUSIVWNYAP-DTWKUNHWSA-N 1 0 218.253 0.047 20 5 BCBDRO CC1(C[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000905159112 637639971 /nfs/dbraw/zinc/63/99/71/637639971.db2.gz KBYZPCZICXXTBS-UHFFFAOYSA-N 1 0 202.254 0.669 20 5 BCBDRO CN(C)[C@]1(C[NH2+]CC[N+](=O)[O-])CCSC1 ZINC000905146158 637653762 /nfs/dbraw/zinc/65/37/62/637653762.db2.gz GVTKWPUXABSCNW-VIFPVBQESA-N 1 0 233.337 0.290 20 5 BCBDRO CC1(C)C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905190108 637668520 /nfs/dbraw/zinc/66/85/20/637668520.db2.gz WOKBOTIRNIIDQX-QMMMGPOBSA-N 1 0 202.254 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1cnc(C2CC2)nc1 ZINC000905190662 637672000 /nfs/dbraw/zinc/67/20/00/637672000.db2.gz XUHKDBHERUYIBX-UHFFFAOYSA-N 1 0 236.275 0.763 20 5 BCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC[N+](=O)[O-] ZINC000905161257 637673520 /nfs/dbraw/zinc/67/35/20/637673520.db2.gz WHFZFWHHZKYZES-WPRPVWTQSA-N 1 0 213.281 0.335 20 5 BCBDRO C[C@H]1C[C@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905196164 637674177 /nfs/dbraw/zinc/67/41/77/637674177.db2.gz QRVMCOXTAOSITK-DTWKUNHWSA-N 1 0 202.254 0.668 20 5 BCBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CC[N+](=O)[O-] ZINC000905168556 637679209 /nfs/dbraw/zinc/67/92/09/637679209.db2.gz MFPPCZLDNZDFTG-DTWKUNHWSA-N 1 0 202.254 0.668 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1CCCCO1 ZINC000905201431 637694296 /nfs/dbraw/zinc/69/42/96/637694296.db2.gz JGOSVNACZHSJQO-VIFPVBQESA-N 1 0 202.254 0.812 20 5 BCBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@]12CCCO2 ZINC000905211302 637697398 /nfs/dbraw/zinc/69/73/98/637697398.db2.gz CEZSTSDNQLNBFT-MXWKQRLJSA-N 1 0 244.291 0.579 20 5 BCBDRO COC(=O)N1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905258028 637713872 /nfs/dbraw/zinc/71/38/72/637713872.db2.gz VPWLLCFWVMAVEB-UHFFFAOYSA-N 1 0 245.279 0.331 20 5 BCBDRO CCOCC(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905260366 637716213 /nfs/dbraw/zinc/71/62/13/637716213.db2.gz LPAYCHHGOQNUAD-UHFFFAOYSA-N 1 0 204.270 0.915 20 5 BCBDRO C[C@H](Cc1cnn(C)c1)[NH2+]CC[N+](=O)[O-] ZINC000905281397 637735110 /nfs/dbraw/zinc/73/51/10/637735110.db2.gz UNMAGIJHXXOHBR-MRVPVSSYSA-N 1 0 212.253 0.217 20 5 BCBDRO Cc1ccccc1[C@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905347678 637769348 /nfs/dbraw/zinc/76/93/48/637769348.db2.gz BPRVLQKBRATEIJ-LLVKDONJSA-N 1 0 224.260 0.895 20 5 BCBDRO COc1cccc([C@@H](O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905352423 637771676 /nfs/dbraw/zinc/77/16/76/637771676.db2.gz WRWTUGHZJLAEJM-NSHDSACASA-N 1 0 240.259 0.595 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC1(CO)CCCC1 ZINC000905359046 637777820 /nfs/dbraw/zinc/77/78/20/637777820.db2.gz HFICMIJSGULZJR-UHFFFAOYSA-N 1 0 202.254 0.405 20 5 BCBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CCCC[C@H]1O ZINC000905361601 637780816 /nfs/dbraw/zinc/78/08/16/637780816.db2.gz QFPKDPPXBJRAMR-NXEZZACHSA-N 1 0 216.281 0.794 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000905364623 637787927 /nfs/dbraw/zinc/78/79/27/637787927.db2.gz KSCGEBKRXVMXSP-LLVKDONJSA-N 1 0 242.250 0.595 20 5 BCBDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]CC[N+](=O)[O-] ZINC000905364409 637788210 /nfs/dbraw/zinc/78/82/10/637788210.db2.gz JFCVMBOCDAQETL-IUCAKERBSA-N 1 0 228.248 0.958 20 5 BCBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000905362494 637788270 /nfs/dbraw/zinc/78/82/70/637788270.db2.gz BJBOFDNWCXNVCF-JQWIXIFHSA-N 1 0 238.287 0.845 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000905365632 637788287 /nfs/dbraw/zinc/78/82/87/637788287.db2.gz CHVRYVXMYXXNBQ-LLVKDONJSA-N 1 0 242.250 0.595 20 5 BCBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000905365161 637788402 /nfs/dbraw/zinc/78/84/02/637788402.db2.gz ANKLLZLHSVXRPK-WDSKDSINSA-N 1 0 230.186 0.555 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1CCSC1 ZINC000905401242 637797573 /nfs/dbraw/zinc/79/75/73/637797573.db2.gz XPBPFQMTHDVQBW-MRVPVSSYSA-N 1 0 204.295 0.996 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000905409831 637800471 /nfs/dbraw/zinc/80/04/71/637800471.db2.gz WYCHBXZMPNULTQ-UTLUCORTSA-N 1 0 214.265 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000905396759 637807858 /nfs/dbraw/zinc/80/78/58/637807858.db2.gz TZEYDPPYTDKECE-BDAKNGLRSA-N 1 0 200.238 0.420 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000905443275 637815591 /nfs/dbraw/zinc/81/55/91/637815591.db2.gz YRPBHDLCULZBPQ-SECBINFHSA-N 1 0 214.265 0.954 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000905471524 637830479 /nfs/dbraw/zinc/83/04/79/637830479.db2.gz CBCNKJGJPGYHMC-VIFPVBQESA-N 1 0 214.265 0.812 20 5 BCBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905506383 637832275 /nfs/dbraw/zinc/83/22/75/637832275.db2.gz VJLGFAUMTXCVIQ-SFYZADRCSA-N 1 0 216.237 0.194 20 5 BCBDRO Cn1cnc2cc(C[NH2+]CC[N+](=O)[O-])ccc21 ZINC000905526499 637845775 /nfs/dbraw/zinc/84/57/75/637845775.db2.gz WIFTWXWMVLQBFE-UHFFFAOYSA-N 1 0 234.259 0.940 20 5 BCBDRO CC1(C)CC[N@H+](CCNCC[N+](=O)[O-])C1 ZINC000905679654 637886625 /nfs/dbraw/zinc/88/66/25/637886625.db2.gz QUJKXFIPIATKFJ-UHFFFAOYSA-N 1 0 215.297 0.585 20 5 BCBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000905731016 637901266 /nfs/dbraw/zinc/90/12/66/637901266.db2.gz DAKUTIQISRCZLG-BDAKNGLRSA-N 1 0 237.259 0.612 20 5 BCBDRO [NH3+][C@@H]1CC[C@H](Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000905731053 637901353 /nfs/dbraw/zinc/90/13/53/637901353.db2.gz GOGGZXNFIKODJU-DTWKUNHWSA-N 1 0 237.259 0.884 20 5 BCBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cc([N+](=O)[O-])ccc1=O ZINC000905733891 637903257 /nfs/dbraw/zinc/90/32/57/637903257.db2.gz JZWUBVSVYMFNMI-BDAKNGLRSA-N 1 0 237.259 0.612 20 5 BCBDRO CCCC[N@H+](CCCO)CC[N+](=O)[O-] ZINC000930235887 639645574 /nfs/dbraw/zinc/64/55/74/639645574.db2.gz HXNSUHVMUFVEFY-UHFFFAOYSA-N 1 0 204.270 0.748 20 5 BCBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930267016 639670570 /nfs/dbraw/zinc/67/05/70/639670570.db2.gz FDDRRLOGDINXGP-NXEZZACHSA-N 1 0 216.281 0.889 20 5 BCBDRO C[C@@H]1OCC[C@]12CN(CC[N+](=O)[O-])C[C@@H](C)O2 ZINC000930268763 639673046 /nfs/dbraw/zinc/67/30/46/639673046.db2.gz RDHRIMQMVKECOT-VWYCJHECSA-N 1 0 244.291 0.531 20 5 BCBDRO [NH3+]CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911628789 639688884 /nfs/dbraw/zinc/68/88/84/639688884.db2.gz DXCHOQCLVKIXLB-QWRGUYRKSA-N 1 0 249.270 0.773 20 5 BCBDRO CO[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@H](C)C1 ZINC000930323467 639707121 /nfs/dbraw/zinc/70/71/21/639707121.db2.gz NOXPEGNBLVXRFC-RKDXNWHRSA-N 1 0 202.254 0.762 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000930366756 639732706 /nfs/dbraw/zinc/73/27/06/639732706.db2.gz YMLNDMPVVMUDLU-NXEZZACHSA-N 1 0 214.265 0.907 20 5 BCBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC[N+](=O)[O-] ZINC000930452123 639756833 /nfs/dbraw/zinc/75/68/33/639756833.db2.gz JZBBFSCKRFJXSR-LADJIXMOSA-N 1 0 226.276 0.618 20 5 BCBDRO C[N@@H+]1CCC[C@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC000930576749 639813012 /nfs/dbraw/zinc/81/30/12/639813012.db2.gz MTPYLDDBNQGFEF-NSHDSACASA-N 1 0 227.308 0.681 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000930623363 639828011 /nfs/dbraw/zinc/82/80/11/639828011.db2.gz QMYZMEAORXIWAQ-GMTAPVOTSA-N 1 0 228.292 0.889 20 5 BCBDRO CO[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1C ZINC000930634849 639834115 /nfs/dbraw/zinc/83/41/15/639834115.db2.gz OQEDJDAOWZKAMT-IUCAKERBSA-N 1 0 202.254 0.620 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000930638644 639836816 /nfs/dbraw/zinc/83/68/16/639836816.db2.gz JTXXPXLNTMVNQW-WDEREUQCSA-N 1 0 228.292 0.650 20 5 BCBDRO CO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC000930700130 639866076 /nfs/dbraw/zinc/86/60/76/639866076.db2.gz PPGBKICPNLLMGA-RKDXNWHRSA-N 1 0 214.265 0.810 20 5 BCBDRO COC(=O)[C@@]1(C)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930735873 639885641 /nfs/dbraw/zinc/88/56/41/639885641.db2.gz CCIQLSDCYCCWJR-JTQLQIEISA-N 1 0 230.264 0.538 20 5 BCBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930740855 639890536 /nfs/dbraw/zinc/89/05/36/639890536.db2.gz WSYCKJYQTNRIQP-DTWKUNHWSA-N 1 0 202.254 0.356 20 5 BCBDRO COCC(C)(C)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000930760197 639899594 /nfs/dbraw/zinc/89/95/94/639899594.db2.gz SNIWPGPSFQKCJO-UHFFFAOYSA-N 1 0 245.323 0.306 20 5 BCBDRO COC1([C@@H](C)[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000930756383 639900507 /nfs/dbraw/zinc/90/05/07/639900507.db2.gz VZGBGVGVESGPGP-SECBINFHSA-N 1 0 232.280 0.437 20 5 BCBDRO CC[N@H+](CC[N+](=O)[O-])[C@H]1CCCOC1 ZINC000930852733 639924899 /nfs/dbraw/zinc/92/48/99/639924899.db2.gz MNKOTECJLQSHBH-VIFPVBQESA-N 1 0 202.254 0.764 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000930866042 639958271 /nfs/dbraw/zinc/95/82/71/639958271.db2.gz HWGKKRREUIASBQ-ZETCQYMHSA-N 1 0 206.192 0.994 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1CO ZINC000930866574 639960196 /nfs/dbraw/zinc/96/01/96/639960196.db2.gz DANZLQHFASKMPB-SECBINFHSA-N 1 0 202.254 0.500 20 5 BCBDRO C[C@@]12COC[C@@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000931021615 640027090 /nfs/dbraw/zinc/02/70/90/640027090.db2.gz ZUGSCRWKQKZVSL-DTWKUNHWSA-N 1 0 200.238 0.231 20 5 BCBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC[N+](=O)[O-] ZINC000931037692 640032697 /nfs/dbraw/zinc/03/26/97/640032697.db2.gz IUVQKYZZQVUYLF-RKDXNWHRSA-N 1 0 201.270 0.288 20 5 BCBDRO C[NH+](C)CCC[C@@H]1CN(CC[N+](=O)[O-])CCO1 ZINC000931076931 640059378 /nfs/dbraw/zinc/05/93/78/640059378.db2.gz ZJCFSBKVIOFACA-LLVKDONJSA-N 1 0 245.323 0.306 20 5 BCBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1CO ZINC000931102861 640066726 /nfs/dbraw/zinc/06/67/26/640066726.db2.gz HYVOYOZXLHPZPA-IUCAKERBSA-N 1 0 202.254 0.213 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000931549644 640270978 /nfs/dbraw/zinc/27/09/78/640270978.db2.gz NYJFKOMYWJBCFU-BDAKNGLRSA-N 1 0 216.306 0.948 20 5 BCBDRO CC[C@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000931766552 640359788 /nfs/dbraw/zinc/35/97/88/640359788.db2.gz CUNPIRKVBKGGPE-MRVPVSSYSA-N 1 0 228.252 0.152 20 5 BCBDRO C[C@@H](Cc1cccnc1)[NH2+]CC[N+](=O)[O-] ZINC000934225257 641105527 /nfs/dbraw/zinc/10/55/27/641105527.db2.gz KMMLCEPTCDOTSU-VIFPVBQESA-N 1 0 209.249 0.879 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCOC12CCOCC2 ZINC000934399850 641140934 /nfs/dbraw/zinc/14/09/34/641140934.db2.gz PSZYDPCEYABBOL-VIFPVBQESA-N 1 0 230.264 0.191 20 5 BCBDRO C[C@H]([NH2+]C[C@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282425 641422436 /nfs/dbraw/zinc/42/24/36/641422436.db2.gz VUFZORXZPQNCPX-KWQFWETISA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@H]([NH2+]C[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090282196 641423040 /nfs/dbraw/zinc/42/30/40/641423040.db2.gz RTONMFMKKNKTRV-GZMMTYOYSA-N 1 0 240.259 0.599 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NCCC[NH+](C)C ZINC000891418248 642500387 /nfs/dbraw/zinc/50/03/87/642500387.db2.gz YCDVACIQRLUSKZ-UHFFFAOYSA-N 1 0 227.268 0.692 20 5 BCBDRO CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031660380 642506875 /nfs/dbraw/zinc/50/68/75/642506875.db2.gz HESXHTULEDLKJR-NXEZZACHSA-N 1 0 241.291 0.110 20 5 BCBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000886839686 645890987 /nfs/dbraw/zinc/89/09/87/645890987.db2.gz JZBGZCRORWGQES-PSASIEDQSA-N 1 0 236.275 0.769 20 5 BCBDRO O=[N+]([O-])CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000929605213 646196272 /nfs/dbraw/zinc/19/62/72/646196272.db2.gz GMINTAJTWXSQLA-LLVKDONJSA-N 1 0 227.308 0.823 20 5 BCBDRO COCCCOC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929701296 646257176 /nfs/dbraw/zinc/25/71/76/646257176.db2.gz BWWBRHRSRSIPQE-UHFFFAOYSA-N 1 0 246.307 0.781 20 5 BCBDRO CC[NH+](CC)C[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929751346 646282251 /nfs/dbraw/zinc/28/22/51/646282251.db2.gz ZWHKERDVDGLOQE-NSHDSACASA-N 1 0 229.324 0.927 20 5 BCBDRO O=[N+]([O-])CCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000929798931 646323952 /nfs/dbraw/zinc/32/39/52/646323952.db2.gz KCBWMNAAXZTYKD-LURJTMIESA-N 1 0 228.170 0.262 20 5 BCBDRO C[N@@H+]1CCC[C@@H]2CN(CC[N+](=O)[O-])CC[C@H]21 ZINC000929842402 646351236 /nfs/dbraw/zinc/35/12/36/646351236.db2.gz CUCXHSCTFPDBFI-GHMZBOCLSA-N 1 0 227.308 0.679 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000930071232 646420383 /nfs/dbraw/zinc/42/03/83/646420383.db2.gz FEKLDHILGRARMR-VHSXEESVSA-N 1 0 214.265 0.622 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000930077989 646421690 /nfs/dbraw/zinc/42/16/90/646421690.db2.gz WYBPJSVNKNZGCA-SNVBAGLBSA-N 1 0 239.279 0.267 20 5 BCBDRO Cc1ccc(NCC[NH2+]CC[N+](=O)[O-])nc1 ZINC000905606008 711812971 /nfs/dbraw/zinc/81/29/71/711812971.db2.gz ULFHMYSZJXANOD-UHFFFAOYSA-N 1 0 224.264 0.668 20 5 BCBDRO CC[N@@H+]1CC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000712595718 712435933 /nfs/dbraw/zinc/43/59/33/712435933.db2.gz RYKXFYOSXPSLRQ-QMMMGPOBSA-N 1 0 239.279 0.834 20 5 BCBDRO CC(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000036950867 712516586 /nfs/dbraw/zinc/51/65/86/712516586.db2.gz IPLPRWXXILRUTP-SECBINFHSA-N 1 0 228.252 0.150 20 5 BCBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])nc1 ZINC000717367421 712652609 /nfs/dbraw/zinc/65/26/09/712652609.db2.gz SHAHCDMGVTUHAL-VIFPVBQESA-N 1 0 240.263 0.324 20 5 BCBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000209509483 342717931 /nfs/dbraw/zinc/71/79/31/342717931.db2.gz YPPHTMSPUJOHLC-SCZZXKLOSA-N 1 0 234.259 0.788 20 5 BCBDRO C[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042204939 398331091 /nfs/dbraw/zinc/33/10/91/398331091.db2.gz PUTWBKLEISVJKS-ZCFIWIBFSA-N 1 0 209.205 0.881 20 5 BCBDRO C[C@H]([NH3+])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015963 398332307 /nfs/dbraw/zinc/33/23/07/398332307.db2.gz AFSLXCLHNGASEK-QMMMGPOBSA-N 1 0 237.259 0.948 20 5 BCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000046381338 343136284 /nfs/dbraw/zinc/13/62/84/343136284.db2.gz NOBMOCUZWGVQKZ-SSDOTTSWSA-N 1 0 240.263 0.603 20 5 BCBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[NH2+]C1 ZINC000230733648 346997470 /nfs/dbraw/zinc/99/74/70/346997470.db2.gz UJDGWBUXPAVYDX-JTQLQIEISA-N 1 0 238.247 0.405 20 5 BCBDRO Nc1ccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1[N+](=O)[O-] ZINC000600884915 344388139 /nfs/dbraw/zinc/38/81/39/344388139.db2.gz GLAHSYOHGUKHKE-OCAPTIKFSA-N 1 0 249.274 0.513 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2(F)CC2)c1 ZINC000381621449 344526912 /nfs/dbraw/zinc/52/69/12/344526912.db2.gz ZWXWKBIZOBVXOE-UHFFFAOYSA-N 1 0 228.227 0.883 20 5 BCBDRO C[NH+](C)C1CN(c2cccnc2[N+](=O)[O-])C1 ZINC000611414273 344535268 /nfs/dbraw/zinc/53/52/68/344535268.db2.gz OTHGGLFWNQVDTI-UHFFFAOYSA-N 1 0 222.248 0.740 20 5 BCBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075682452 344784621 /nfs/dbraw/zinc/78/46/21/344784621.db2.gz PBLGYNPLKOFQNT-SECBINFHSA-N 1 0 228.252 0.104 20 5 BCBDRO Cc1cccc(C(=O)N[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000111302918 179021588 /nfs/dbraw/zinc/02/15/88/179021588.db2.gz BFKNEQZPMIQUCW-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO C[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CO1 ZINC000592365841 347774876 /nfs/dbraw/zinc/77/48/76/347774876.db2.gz JQGQKOGKBZAWHV-IUCAKERBSA-N 1 0 240.263 0.558 20 5 BCBDRO C[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CO1 ZINC000592365840 347774908 /nfs/dbraw/zinc/77/49/08/347774908.db2.gz JQGQKOGKBZAWHV-DTWKUNHWSA-N 1 0 240.263 0.558 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1CC[C@@H]1CC[NH2+]C1 ZINC000592156636 347745499 /nfs/dbraw/zinc/74/54/99/347745499.db2.gz OTVHRGTWANPZAL-VIFPVBQESA-N 1 0 237.259 0.756 20 5 BCBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CC1C[NH2+]C1 ZINC000592159803 347746072 /nfs/dbraw/zinc/74/60/72/347746072.db2.gz GPLKRIOWZHCOLK-UHFFFAOYSA-N 1 0 243.650 0.629 20 5 BCBDRO CC[C@@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594648650 348087528 /nfs/dbraw/zinc/08/75/28/348087528.db2.gz CUDPVNXMYVEMHC-MRVPVSSYSA-N 1 0 248.246 0.980 20 5 BCBDRO Cc1cc([N+](=O)[O-])cn(C[C@@H](C)[NH3+])c1=O ZINC000563079499 348207083 /nfs/dbraw/zinc/20/70/83/348207083.db2.gz GSJQGZADFLNOBM-SSDOTTSWSA-N 1 0 211.221 0.412 20 5 BCBDRO Cc1cc([N+](=O)[O-])cn(C[C@H](C)[NH3+])c1=O ZINC000563079507 348207189 /nfs/dbraw/zinc/20/71/89/348207189.db2.gz GSJQGZADFLNOBM-ZETCQYMHSA-N 1 0 211.221 0.412 20 5 BCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000320696323 323183356 /nfs/dbraw/zinc/18/33/56/323183356.db2.gz NIXSPGDTNSPXSW-BQBZGAKWSA-N 1 0 240.263 0.779 20 5 BCBDRO COc1cccc([N+](=O)[O-])c1NC1C[NH2+]C1 ZINC000596014020 348430097 /nfs/dbraw/zinc/43/00/97/348430097.db2.gz KPKHAZPMBGNIHR-UHFFFAOYSA-N 1 0 223.232 0.987 20 5 BCBDRO C[NH+](C)C[C@H](CO)Nc1cccnc1[N+](=O)[O-] ZINC000596245300 348485817 /nfs/dbraw/zinc/48/58/17/348485817.db2.gz XCHGSAZZQNXMOU-MRVPVSSYSA-N 1 0 240.263 0.324 20 5 BCBDRO C[NH2+]C1(CNc2ccncc2[N+](=O)[O-])CCC1 ZINC000598635209 349014235 /nfs/dbraw/zinc/01/42/35/349014235.db2.gz WCBOVQUFBMGQOS-UHFFFAOYSA-N 1 0 236.275 0.966 20 5 BCBDRO C[C@H]([NH3+])Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000222855133 351124030 /nfs/dbraw/zinc/12/40/30/351124030.db2.gz GTFCPGCGAZXYDP-BYPYZUCNSA-N 1 0 249.068 0.901 20 5 BCBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000063170292 351266761 /nfs/dbraw/zinc/26/67/61/351266761.db2.gz HKKJYJGKSPVRIN-ZETCQYMHSA-N 1 0 240.263 0.400 20 5 BCBDRO CNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044988743 187950520 /nfs/dbraw/zinc/95/05/20/187950520.db2.gz CFWFBWFLUFEICO-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000082576827 538109458 /nfs/dbraw/zinc/10/94/58/538109458.db2.gz VMUJPZQBLJALJI-YFKPBYRVSA-N 1 0 229.261 0.733 20 5 BCBDRO NC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000340127942 181189364 /nfs/dbraw/zinc/18/93/64/181189364.db2.gz PABXGOOHMOSTMM-UHFFFAOYSA-N 1 0 208.221 0.620 20 5 BCBDRO O=[N+]([O-])c1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000415043760 191660743 /nfs/dbraw/zinc/66/07/43/191660743.db2.gz UOPDVMYFWGCVDW-MBTKJCJQSA-N 1 0 239.300 0.964 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC000035121800 355835091 /nfs/dbraw/zinc/83/50/91/355835091.db2.gz IGPYINNOISBOCJ-UHFFFAOYSA-N 1 0 239.279 0.834 20 5 BCBDRO Cc1c(C(=O)NCCC[NH3+])cccc1[N+](=O)[O-] ZINC000019477305 356153345 /nfs/dbraw/zinc/15/33/45/356153345.db2.gz YXULDVIJQJOJAW-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO NC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000048027103 181270847 /nfs/dbraw/zinc/27/08/47/181270847.db2.gz PTNUIXDSJOABNI-SNVBAGLBSA-N 1 0 249.270 0.902 20 5 BCBDRO Cc1nc(NCC(C)(C)[NH3+])ncc1[N+](=O)[O-] ZINC000450326468 202130433 /nfs/dbraw/zinc/13/04/33/202130433.db2.gz HUDNTVOZFDWWAR-UHFFFAOYSA-N 1 0 225.252 0.842 20 5 BCBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCO)CC2 ZINC000034416171 356702420 /nfs/dbraw/zinc/70/24/20/356702420.db2.gz YLVXOXVJMJJMNB-UHFFFAOYSA-N 1 0 222.244 0.945 20 5 BCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]1 ZINC000384795692 356750982 /nfs/dbraw/zinc/75/09/82/356750982.db2.gz XVLZESICCLEPQS-SNVBAGLBSA-N 1 0 235.243 0.573 20 5 BCBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000389723204 356930743 /nfs/dbraw/zinc/93/07/43/356930743.db2.gz INZXCLMEDOTLAL-VXNVDRBHSA-N 1 0 237.263 0.795 20 5 BCBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373331 363570746 /nfs/dbraw/zinc/57/07/46/363570746.db2.gz WTNNOHPZOIHBHI-UHFFFAOYSA-N 1 0 240.263 0.604 20 5 BCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000580422349 359536477 /nfs/dbraw/zinc/53/64/77/359536477.db2.gz ZVPXAQNTZOMDJT-IMTBSYHQSA-N 1 0 240.238 0.912 20 5 BCBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H](F)C2)c1 ZINC000451182287 202370166 /nfs/dbraw/zinc/37/01/66/202370166.db2.gz GTHGPJOFKGJSNN-QMMMGPOBSA-N 1 0 228.227 0.835 20 5 BCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000037472400 364053783 /nfs/dbraw/zinc/05/37/83/364053783.db2.gz LVNVWVZVGPEBJH-UHFFFAOYSA-N 1 0 241.272 0.702 20 5 BCBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000272989111 181377935 /nfs/dbraw/zinc/37/79/35/181377935.db2.gz PUWLNRCGLWUJIE-UHFFFAOYSA-N 1 0 226.236 0.392 20 5 BCBDRO O=[N+]([O-])c1ccc(CC[NH2+]C(CO)CO)cc1 ZINC000087752846 541423143 /nfs/dbraw/zinc/42/31/43/541423143.db2.gz GWWWZQJWRROEMW-UHFFFAOYSA-N 1 0 240.259 0.080 20 5 BCBDRO [NH3+]CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000020578415 181395493 /nfs/dbraw/zinc/39/54/93/181395493.db2.gz YRVDQKWXOIFMMP-UHFFFAOYSA-N 1 0 243.650 0.937 20 5 BCBDRO CCC[NH2+]CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000581368870 367399960 /nfs/dbraw/zinc/39/99/60/367399960.db2.gz OBTMIYRHHOTNNO-UHFFFAOYSA-N 1 0 241.251 0.047 20 5 BCBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000111303666 368855135 /nfs/dbraw/zinc/85/51/35/368855135.db2.gz FHWMQRJPGLLTCU-SSDOTTSWSA-N 1 0 240.263 0.400 20 5 BCBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000111303664 368855211 /nfs/dbraw/zinc/85/52/11/368855211.db2.gz FHWMQRJPGLLTCU-ZETCQYMHSA-N 1 0 240.263 0.400 20 5 BCBDRO Cc1c(C(=O)NC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000111301924 370125414 /nfs/dbraw/zinc/12/54/14/370125414.db2.gz CSVMQQCZTYMMBJ-SSDOTTSWSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH3+] ZINC000111302012 370125573 /nfs/dbraw/zinc/12/55/73/370125573.db2.gz NRBAXGYCFCNBPJ-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1ccnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000078834189 370605971 /nfs/dbraw/zinc/60/59/71/370605971.db2.gz AYMOEJAHPVGZNT-UWVGGRQHSA-N 1 0 248.286 0.954 20 5 BCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CC2)c1 ZINC000037873523 371013913 /nfs/dbraw/zinc/01/39/13/371013913.db2.gz VGTCTQLSBBLCDD-JTQLQIEISA-N 1 0 240.263 0.152 20 5 BCBDRO [NH3+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070191428 371015370 /nfs/dbraw/zinc/01/53/70/371015370.db2.gz GDBXLQAXTOGMGV-UHFFFAOYSA-N 1 0 243.650 0.937 20 5 BCBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351808706 371661992 /nfs/dbraw/zinc/66/19/92/371661992.db2.gz KGUYTYPZRMZPCZ-WPRPVWTQSA-N 1 0 240.263 0.104 20 5 BCBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000226782094 371744478 /nfs/dbraw/zinc/74/44/78/371744478.db2.gz MABXCKMKQNFIOA-BQBZGAKWSA-N 1 0 240.288 0.707 20 5 BCBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000226782081 371744695 /nfs/dbraw/zinc/74/46/95/371744695.db2.gz MABXCKMKQNFIOA-KNVOCYPGSA-N 1 0 240.288 0.707 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602490198 371813632 /nfs/dbraw/zinc/81/36/32/371813632.db2.gz BBKFHVVUDMVPMH-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO CN(CCC[NH3+])Cc1cn(C)nc1[N+](=O)[O-] ZINC000603428348 371894067 /nfs/dbraw/zinc/89/40/67/371894067.db2.gz IMVGNDNUTHSQMT-UHFFFAOYSA-N 1 0 227.268 0.109 20 5 BCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000019505138 182038097 /nfs/dbraw/zinc/03/80/97/182038097.db2.gz RLIWPPKHUWXAHU-UHFFFAOYSA-N 1 0 249.270 0.569 20 5 BCBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000040454865 373276205 /nfs/dbraw/zinc/27/62/05/373276205.db2.gz MJZUSSBYPIIETB-SSDOTTSWSA-N 1 0 225.252 0.747 20 5 BCBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000041028630 374053846 /nfs/dbraw/zinc/05/38/46/374053846.db2.gz FBGAIMUSFJBIEO-SSDOTTSWSA-N 1 0 238.247 0.486 20 5 BCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000037668442 182251913 /nfs/dbraw/zinc/25/19/13/182251913.db2.gz LADKCYLLDUTYMK-NSHDSACASA-N 1 0 249.270 0.963 20 5 BCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424087426 206028568 /nfs/dbraw/zinc/02/85/68/206028568.db2.gz HQMXVUPSBLGVGK-ZJUUUORDSA-N 1 0 249.270 0.900 20 5 BCBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000071397194 182294585 /nfs/dbraw/zinc/29/45/85/182294585.db2.gz BARYQRVVTGCUTD-SSDOTTSWSA-N 1 0 239.231 0.670 20 5 BCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000052093084 182335810 /nfs/dbraw/zinc/33/58/10/182335810.db2.gz UMLJDDNOITVSHY-LURJTMIESA-N 1 0 225.204 0.280 20 5 BCBDRO O=C1NCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050394709 384017659 /nfs/dbraw/zinc/01/76/59/384017659.db2.gz HEUPDIGCXSJRRO-NSHDSACASA-N 1 0 249.270 0.963 20 5 BCBDRO Cc1cc(C(=O)NCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000135213582 384182334 /nfs/dbraw/zinc/18/23/34/384182334.db2.gz NGEKIYDHNZSCCU-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NCC[NH+]1CCC1 ZINC000336716666 384255932 /nfs/dbraw/zinc/25/59/32/384255932.db2.gz WIQQFDODDKBVHV-UHFFFAOYSA-N 1 0 225.252 0.446 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262486319 384664962 /nfs/dbraw/zinc/66/49/62/384664962.db2.gz UWNYXTKJLGBTKS-LURJTMIESA-N 1 0 238.247 0.254 20 5 BCBDRO C[NH+](C)CCn1cccc([N+](=O)[O-])c1=O ZINC000102204213 384701711 /nfs/dbraw/zinc/70/17/11/384701711.db2.gz TVXQMCHXIATNNB-UHFFFAOYSA-N 1 0 211.221 0.318 20 5 BCBDRO C[NH2+]CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000054244266 384740657 /nfs/dbraw/zinc/74/06/57/384740657.db2.gz LDSGRYUSSOZGIS-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO CC[NH+](CC)CCCn1cnc([N+](=O)[O-])n1 ZINC000188299739 384887008 /nfs/dbraw/zinc/88/70/08/384887008.db2.gz ZAJJJXUMEXYQOU-UHFFFAOYSA-N 1 0 227.268 0.918 20 5 BCBDRO Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000052092963 385656870 /nfs/dbraw/zinc/65/68/70/385656870.db2.gz JKDCILBYBPCAHV-SNVBAGLBSA-N 1 0 249.270 0.995 20 5 BCBDRO Cn1c(C(=O)NC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000063020195 385701856 /nfs/dbraw/zinc/70/18/56/385701856.db2.gz OLOYJMPDUBVENA-UHFFFAOYSA-N 1 0 240.263 0.400 20 5 BCBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000230064671 134480179 /nfs/dbraw/zinc/48/01/79/134480179.db2.gz FHVWIFIUSSZXAW-UHFFFAOYSA-N 1 0 239.231 0.799 20 5 BCBDRO C[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943183 386433967 /nfs/dbraw/zinc/43/39/67/386433967.db2.gz KQXYOMCEWZXKAE-SSDOTTSWSA-N 1 0 223.232 0.558 20 5 BCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000266406686 386495284 /nfs/dbraw/zinc/49/52/84/386495284.db2.gz FXRZWLOUUFLMDZ-SNVBAGLBSA-N 1 0 240.263 0.248 20 5 BCBDRO CC[NH+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266403225 386496216 /nfs/dbraw/zinc/49/62/16/386496216.db2.gz FFBDTCLWZHKCOZ-JTQLQIEISA-N 1 0 242.279 0.494 20 5 BCBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)CO ZINC000292214714 386634360 /nfs/dbraw/zinc/63/43/60/386634360.db2.gz OPHGOWKHTDGNEP-SECBINFHSA-N 1 0 242.279 0.494 20 5 BCBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000293440842 386818045 /nfs/dbraw/zinc/81/80/45/386818045.db2.gz OPHGOWKHTDGNEP-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000267095943 386812949 /nfs/dbraw/zinc/81/29/49/386812949.db2.gz RMWUBLXXYRDREI-SECBINFHSA-N 1 0 240.263 0.512 20 5 BCBDRO CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC000399157126 387002411 /nfs/dbraw/zinc/00/24/11/387002411.db2.gz IVNRNPJLTJWSOR-UHFFFAOYSA-N 1 0 249.270 0.821 20 5 BCBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346277516 387095086 /nfs/dbraw/zinc/09/50/86/387095086.db2.gz UGLLGMVLCUPMFY-SSDOTTSWSA-N 1 0 240.263 0.603 20 5 BCBDRO C[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152018556 387202394 /nfs/dbraw/zinc/20/23/94/387202394.db2.gz SMWXZFSOZVFWRA-ZETCQYMHSA-N 1 0 235.243 0.831 20 5 BCBDRO C[NH2+]CCNCc1cccc([N+](=O)[O-])c1 ZINC000414817612 387231902 /nfs/dbraw/zinc/23/19/02/387231902.db2.gz BDQHKQQKVLKFPB-UHFFFAOYSA-N 1 0 209.249 0.904 20 5 BCBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000372431440 387298825 /nfs/dbraw/zinc/29/88/25/387298825.db2.gz MRWIULZVUVVFTR-SVSWQMSJSA-N 1 0 239.275 0.132 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000441615235 387348340 /nfs/dbraw/zinc/34/83/40/387348340.db2.gz RHHRIONWXLQDJE-ZCFIWIBFSA-N 1 0 243.288 0.981 20 5 BCBDRO CC[N@H+](CCOC)CCn1cc([N+](=O)[O-])cn1 ZINC000347354399 387834003 /nfs/dbraw/zinc/83/40/03/387834003.db2.gz RXPSTVABYFCCTC-UHFFFAOYSA-N 1 0 242.279 0.760 20 5 BCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372904987 388084513 /nfs/dbraw/zinc/08/45/13/388084513.db2.gz OTGDQXVNWKJPPA-UTINFBMNSA-N 1 0 239.275 0.005 20 5 BCBDRO CC[C@H](COC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539079 388353289 /nfs/dbraw/zinc/35/32/89/388353289.db2.gz PMWSOTQGBFKUGD-SECBINFHSA-N 1 0 242.279 0.806 20 5 BCBDRO C[C@@H](CO)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000305458914 388369611 /nfs/dbraw/zinc/36/96/11/388369611.db2.gz UUPMSYKIEPKDQO-QMMMGPOBSA-N 1 0 228.252 0.104 20 5 BCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH3+] ZINC000194872604 388452842 /nfs/dbraw/zinc/45/28/42/388452842.db2.gz BKXIQCOOCORSBT-LURJTMIESA-N 1 0 238.247 0.375 20 5 BCBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299270453 388551113 /nfs/dbraw/zinc/55/11/13/388551113.db2.gz IZJXZQFTUPOLOE-UHFFFAOYSA-N 1 0 240.263 0.604 20 5 BCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[NH3+] ZINC000037810231 388575954 /nfs/dbraw/zinc/57/59/54/388575954.db2.gz HECXHXIDHHKJLQ-UHFFFAOYSA-N 1 0 237.259 0.902 20 5 BCBDRO C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000130633648 388583054 /nfs/dbraw/zinc/58/30/54/388583054.db2.gz BHNLRGCEILHGEL-ZETCQYMHSA-N 1 0 225.252 0.747 20 5 BCBDRO O=[N+]([O-])c1cn(CC2CC[NH2+]CC2)cn1 ZINC000521620133 388672975 /nfs/dbraw/zinc/67/29/75/388672975.db2.gz IHLOICKUEUFGMJ-UHFFFAOYSA-N 1 0 210.237 0.791 20 5 BCBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374478660 388715329 /nfs/dbraw/zinc/71/53/29/388715329.db2.gz CSDLMDARRWQHQM-KATARQTJSA-N 1 0 239.275 0.005 20 5 BCBDRO C[NH2+][C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430635860 388730220 /nfs/dbraw/zinc/73/02/20/388730220.db2.gz WUIGQZGKTWJTIM-QMMMGPOBSA-N 1 0 239.279 0.122 20 5 BCBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C1(CO)CC1 ZINC000331501343 388775420 /nfs/dbraw/zinc/77/54/20/388775420.db2.gz OKEVKYPNVUWWBO-UHFFFAOYSA-N 1 0 240.263 0.285 20 5 BCBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)CC[NH2+]1 ZINC000052783571 132362497 /nfs/dbraw/zinc/36/24/97/132362497.db2.gz VMUHWDHQIDLPNI-MRVPVSSYSA-N 1 0 222.248 0.788 20 5 BCBDRO COC1CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347425796 133833061 /nfs/dbraw/zinc/83/30/61/133833061.db2.gz VQTZBSQLFDIHHF-UHFFFAOYSA-N 1 0 240.263 0.558 20 5 BCBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000351951576 134016763 /nfs/dbraw/zinc/01/67/63/134016763.db2.gz LNHOCVWEZTXBLO-BDAKNGLRSA-N 1 0 240.263 0.104 20 5 BCBDRO [NH3+]CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000263030199 135124344 /nfs/dbraw/zinc/12/43/44/135124344.db2.gz RUHMYGUESGIOID-UHFFFAOYSA-N 1 0 221.260 0.912 20 5 BCBDRO Cc1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000261732482 135248152 /nfs/dbraw/zinc/24/81/52/135248152.db2.gz ALBLILCTNZZDSB-UHFFFAOYSA-N 1 0 249.270 0.852 20 5 BCBDRO C[C@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261906034 135262102 /nfs/dbraw/zinc/26/21/02/135262102.db2.gz WYGLYJOHLHLOLM-VIFPVBQESA-N 1 0 239.279 0.085 20 5 BCBDRO O=C(NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000261994926 135270506 /nfs/dbraw/zinc/27/05/06/135270506.db2.gz ZBPRCZWDPHZNQA-UHFFFAOYSA-N 1 0 235.243 0.544 20 5 BCBDRO [NH3+]CCN(CCO)Cc1csc([N+](=O)[O-])c1 ZINC000342394628 135271158 /nfs/dbraw/zinc/27/11/58/135271158.db2.gz BNGZLWYWJPNDDG-UHFFFAOYSA-N 1 0 245.304 0.409 20 5 BCBDRO Cc1cc(C(=O)NCC2C[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000262006133 135271464 /nfs/dbraw/zinc/27/14/64/135271464.db2.gz IIZATULXMAFCKE-UHFFFAOYSA-N 1 0 249.270 0.852 20 5 BCBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1 ZINC000230064585 135490846 /nfs/dbraw/zinc/49/08/46/135490846.db2.gz TYVHUYDAUIKQOS-UHFFFAOYSA-N 1 0 238.247 0.534 20 5 BCBDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596012831 411825611 /nfs/dbraw/zinc/82/56/11/411825611.db2.gz AXSZCYLYHHQSTK-PHDIDXHHSA-N 1 0 225.252 0.720 20 5 BCBDRO C[NH2+][C@@H](C)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420245803 412297580 /nfs/dbraw/zinc/29/75/80/412297580.db2.gz RIMZWNOKECFIJF-LURJTMIESA-N 1 0 225.252 0.713 20 5 BCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000364787166 172330308 /nfs/dbraw/zinc/33/03/08/172330308.db2.gz BDTRGRYVRJQGGC-IVZWLZJFSA-N 1 0 241.291 0.252 20 5 BCBDRO C[NH2+]CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000054244038 173355282 /nfs/dbraw/zinc/35/52/82/173355282.db2.gz BQGRGVQGEXZBSJ-UHFFFAOYSA-N 1 0 241.222 0.683 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000054244265 173355733 /nfs/dbraw/zinc/35/57/33/173355733.db2.gz SDSPUYZJYKEMOD-UHFFFAOYSA-N 1 0 229.261 0.606 20 5 BCBDRO COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])cn1 ZINC000273662904 174615247 /nfs/dbraw/zinc/61/52/47/174615247.db2.gz WLCQPYXESHCPEQ-SECBINFHSA-N 1 0 241.251 0.161 20 5 BCBDRO COc1ccc(C[NH2+]CCO)cc1[N+](=O)[O-] ZINC000035598620 175106411 /nfs/dbraw/zinc/10/64/11/175106411.db2.gz SRPWVGPZMOXXAO-UHFFFAOYSA-N 1 0 226.232 0.685 20 5 BCBDRO C[C@@H](CC(N)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135725341 175653428 /nfs/dbraw/zinc/65/34/28/175653428.db2.gz KFRMJCAQDJZZNS-QMMMGPOBSA-N 1 0 237.259 0.948 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000082576911 175711613 /nfs/dbraw/zinc/71/16/13/175711613.db2.gz QQODLPJXDHZKSJ-YFKPBYRVSA-N 1 0 229.261 0.733 20 5 BCBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000340906174 177373223 /nfs/dbraw/zinc/37/32/23/177373223.db2.gz KQWJTCSBJZROAM-WPRPVWTQSA-N 1 0 240.263 0.246 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2(O)CCC2)c1 ZINC000515832259 262913511 /nfs/dbraw/zinc/91/35/11/262913511.db2.gz OYDJQTVQHZUYCS-UHFFFAOYSA-N 1 0 240.263 0.296 20 5 BCBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000563119192 323093990 /nfs/dbraw/zinc/09/39/90/323093990.db2.gz RDHRDAHFTJGONW-LURJTMIESA-N 1 0 241.251 0.175 20 5 BCBDRO C[NH+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042566550 323250110 /nfs/dbraw/zinc/25/01/10/323250110.db2.gz IJDDTNCRVBHRSO-UHFFFAOYSA-N 1 0 243.288 0.948 20 5 BCBDRO O=[N+]([O-])c1ncn(CC[C@@H]2CC[NH2+]C2)n1 ZINC000396641184 323435764 /nfs/dbraw/zinc/43/57/64/323435764.db2.gz JQABGNRQCYFSPQ-ZETCQYMHSA-N 1 0 211.225 0.186 20 5 BCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000567925668 326284168 /nfs/dbraw/zinc/28/41/68/326284168.db2.gz QUCJKTQHCVBJRE-WDSKDSINSA-N 1 0 241.251 0.174 20 5 BCBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000568087212 326306637 /nfs/dbraw/zinc/30/66/37/326306637.db2.gz VMVDXOYMEOTTEK-WHFBIAKZSA-N 1 0 241.251 0.092 20 5 BCBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000568087209 326306744 /nfs/dbraw/zinc/30/67/44/326306744.db2.gz VMVDXOYMEOTTEK-CRCLSJGQSA-N 1 0 241.251 0.092 20 5 BCBDRO C[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123552218 583905011 /nfs/dbraw/zinc/90/50/11/583905011.db2.gz CKSGTKUCAKQJDU-LDYMZIIASA-N 1 0 240.259 0.599 20 5 BCBDRO CCOC(=O)[C@H](C)C1CN(CC[N+](=O)[O-])C1 ZINC000899894319 584248041 /nfs/dbraw/zinc/24/80/41/584248041.db2.gz XGPWQYXTMLVUKM-MRVPVSSYSA-N 1 0 230.264 0.394 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000899892927 584249036 /nfs/dbraw/zinc/24/90/36/584249036.db2.gz QCGZNPQJWMWDLG-SFYZADRCSA-N 1 0 236.218 0.667 20 5 BCBDRO [NH3+]CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903882042 584818034 /nfs/dbraw/zinc/81/80/34/584818034.db2.gz JQTIIXPBLGCGSB-UHFFFAOYSA-N 1 0 221.260 0.912 20 5 BCBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839632595 585333252 /nfs/dbraw/zinc/33/32/52/585333252.db2.gz XAMUNRICHXXAON-OPRDCNLKSA-N 1 0 243.307 0.498 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761716227 585418166 /nfs/dbraw/zinc/41/81/66/585418166.db2.gz ZIWZEHTZIWOGNN-GXSJLCMTSA-N 1 0 249.270 0.851 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000791051960 585972373 /nfs/dbraw/zinc/97/23/73/585972373.db2.gz ISOXNZQGYRACGP-DTWKUNHWSA-N 1 0 232.305 0.469 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000791051963 585972491 /nfs/dbraw/zinc/97/24/91/585972491.db2.gz ISOXNZQGYRACGP-RKDXNWHRSA-N 1 0 232.305 0.469 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000791052407 585972527 /nfs/dbraw/zinc/97/25/27/585972527.db2.gz NBVMHELPVAHYDU-VIFPVBQESA-N 1 0 200.238 0.376 20 5 BCBDRO CCC[N@H+](C)C[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791052413 585972550 /nfs/dbraw/zinc/97/25/50/585972550.db2.gz NFVDJVHOHORPBG-NSHDSACASA-N 1 0 229.324 0.927 20 5 BCBDRO CC(=O)NCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051679 585972563 /nfs/dbraw/zinc/97/25/63/585972563.db2.gz HUQZCOXSZVZZLT-UHFFFAOYSA-N 1 0 229.280 0.111 20 5 BCBDRO COC(=O)CC[N@H+](CC[N+](=O)[O-])CC(C)C ZINC000791051608 585972926 /nfs/dbraw/zinc/97/29/26/585972926.db2.gz GMSGUSKRUAFJBG-UHFFFAOYSA-N 1 0 232.280 0.784 20 5 BCBDRO CC[N@H+](C)C[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791053101 585973107 /nfs/dbraw/zinc/97/31/07/585973107.db2.gz SJCUZGDNMCADDA-JTQLQIEISA-N 1 0 215.297 0.537 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000791053884 585973231 /nfs/dbraw/zinc/97/32/31/585973231.db2.gz JOZGMEICASRHFV-MRVPVSSYSA-N 1 0 204.270 0.602 20 5 BCBDRO CO[C@@H](C)CN(C)Cn1nccc1[N+](=O)[O-] ZINC000795747324 586091686 /nfs/dbraw/zinc/09/16/86/586091686.db2.gz JTVQLZCDVNHPMF-QMMMGPOBSA-N 1 0 228.252 0.716 20 5 BCBDRO CC(C)[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])[NH+](C)C ZINC000814037212 586612102 /nfs/dbraw/zinc/61/21/02/586612102.db2.gz UJUWXJUPBXUUEF-RKDXNWHRSA-N 1 0 232.280 0.781 20 5 BCBDRO CC(C)[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])[NH+](C)C ZINC000814037210 586612161 /nfs/dbraw/zinc/61/21/61/586612161.db2.gz UJUWXJUPBXUUEF-DTWKUNHWSA-N 1 0 232.280 0.781 20 5 BCBDRO C[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843059825 588078189 /nfs/dbraw/zinc/07/81/89/588078189.db2.gz OJAFNLIOASTPDW-LDYMZIIASA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@H]([NH3+])Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843235087 588095007 /nfs/dbraw/zinc/09/50/07/588095007.db2.gz ZBNBCZXDQRZXEK-ZETCQYMHSA-N 1 0 242.279 0.947 20 5 BCBDRO [NH3+]CCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238259 588095278 /nfs/dbraw/zinc/09/52/78/588095278.db2.gz MKIBUMGPXPFHAX-UHFFFAOYSA-N 1 0 224.176 0.739 20 5 BCBDRO CC(C)(Cn1cc(CCC[NH3+])nn1)[N+](=O)[O-] ZINC000864641817 589386916 /nfs/dbraw/zinc/38/69/16/589386916.db2.gz CIEWYCDCAYHKRK-UHFFFAOYSA-N 1 0 227.268 0.225 20 5 BCBDRO C[NH+](C)CCc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864641973 589386993 /nfs/dbraw/zinc/38/69/93/589386993.db2.gz FGLDAUJMBUVTLB-UHFFFAOYSA-N 1 0 241.295 0.438 20 5 BCBDRO CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867952753 589541587 /nfs/dbraw/zinc/54/15/87/589541587.db2.gz FAUIDUDDNMPLCV-LLVKDONJSA-N 1 0 237.259 0.905 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886345066 592212825 /nfs/dbraw/zinc/21/28/25/592212825.db2.gz RANSACYAABXZND-AOOOYVTPSA-N 1 0 249.270 0.708 20 5 BCBDRO [NH3+]C1(CNCc2cccnc2[N+](=O)[O-])CCC1 ZINC000886832806 592355585 /nfs/dbraw/zinc/35/55/85/592355585.db2.gz NEGPAFLNFRDUSO-UHFFFAOYSA-N 1 0 236.275 0.961 20 5 BCBDRO O=c1c([N+](=O)[O-])cccn1CCC[NH2+]C1CC1 ZINC000050453339 631915559 /nfs/dbraw/zinc/91/55/59/631915559.db2.gz YIPHMGPVRWDOCN-UHFFFAOYSA-N 1 0 237.259 0.899 20 5 BCBDRO CNC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000052035986 632780853 /nfs/dbraw/zinc/78/08/53/632780853.db2.gz ZYMRZGPYRGEWKN-UHFFFAOYSA-N 1 0 208.221 0.839 20 5 BCBDRO CN(CC[NH+](C)C)c1c([N+](=O)[O-])cnn1C ZINC000892776156 633224549 /nfs/dbraw/zinc/22/45/49/633224549.db2.gz BQUOXQMINPIOHD-UHFFFAOYSA-N 1 0 227.268 0.326 20 5 BCBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]CC[N+](=O)[O-])C2 ZINC000905040276 637558464 /nfs/dbraw/zinc/55/84/64/637558464.db2.gz LYIZBIYLLBSNKF-JTQLQIEISA-N 1 0 236.275 0.509 20 5 BCBDRO O=[N+]([O-])CCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000905047740 637566849 /nfs/dbraw/zinc/56/68/49/637566849.db2.gz VWYOQLOMVGJETN-ZJUUUORDSA-N 1 0 213.281 0.480 20 5 BCBDRO O=C1CCCCCN1CCC[NH2+]CC[N+](=O)[O-] ZINC000905024881 637575064 /nfs/dbraw/zinc/57/50/64/637575064.db2.gz KMEZLERPPUDXFZ-UHFFFAOYSA-N 1 0 243.307 0.645 20 5 BCBDRO NC(=O)c1cccc(CC[NH2+]CC[N+](=O)[O-])c1 ZINC000905080584 637580966 /nfs/dbraw/zinc/58/09/66/637580966.db2.gz CTTAGTBIGQXBBW-UHFFFAOYSA-N 1 0 237.259 0.194 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000905090418 637588300 /nfs/dbraw/zinc/58/83/00/637588300.db2.gz SVWJCTLRMWVZEF-UHFFFAOYSA-N 1 0 222.244 0.988 20 5 BCBDRO C[C@@H](CNCC[N+](=O)[O-])C[NH+]1CCCC1 ZINC000905055792 637589879 /nfs/dbraw/zinc/58/98/79/637589879.db2.gz SLAGVBCPGNHHNQ-JTQLQIEISA-N 1 0 215.297 0.585 20 5 BCBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCC[N+](=O)[O-] ZINC000905068358 637600907 /nfs/dbraw/zinc/60/09/07/637600907.db2.gz OICRNGPPZYBPHD-GHMZBOCLSA-N 1 0 229.324 0.973 20 5 BCBDRO CC[N@@H+]1CCCC[C@H]1CNCC[N+](=O)[O-] ZINC000905105924 637613044 /nfs/dbraw/zinc/61/30/44/637613044.db2.gz MTXAETAPINVCCD-JTQLQIEISA-N 1 0 215.297 0.727 20 5 BCBDRO CCCC[N@H+](C)CCNCC[N+](=O)[O-] ZINC000905109149 637616231 /nfs/dbraw/zinc/61/62/31/637616231.db2.gz IGXUEZQIYWMNSX-UHFFFAOYSA-N 1 0 203.286 0.585 20 5 BCBDRO CC(C)(C)[S@@](=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905109603 637619045 /nfs/dbraw/zinc/61/90/45/637619045.db2.gz LLXDFKCYVOQICK-AWEZNQCLSA-N 1 0 222.310 0.400 20 5 BCBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905121347 637626615 /nfs/dbraw/zinc/62/66/15/637626615.db2.gz MELADYISFPAGPJ-ZJUUUORDSA-N 1 0 243.307 0.500 20 5 BCBDRO C[N@H+](CCNCC[N+](=O)[O-])C1CCCC1 ZINC000905092979 637632212 /nfs/dbraw/zinc/63/22/12/637632212.db2.gz HSUAAAGYIWUYLY-UHFFFAOYSA-N 1 0 215.297 0.727 20 5 BCBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905153477 637636708 /nfs/dbraw/zinc/63/67/08/637636708.db2.gz FMSAUELFMIYQHK-IEVXNVSRSA-N 1 0 248.348 0.933 20 5 BCBDRO C[C@H]1C[C@H](NCC[N+](=O)[O-])CC[N@@H+]1C ZINC000905141000 637649509 /nfs/dbraw/zinc/64/95/09/637649509.db2.gz XEAVINMZPHWFQC-DTWKUNHWSA-N 1 0 201.270 0.335 20 5 BCBDRO Cc1ncc(CC[NH2+]CC[N+](=O)[O-])s1 ZINC000905178458 637685235 /nfs/dbraw/zinc/68/52/35/637685235.db2.gz WYXDDHAHXBHOJZ-UHFFFAOYSA-N 1 0 215.278 0.860 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000905229353 637690210 /nfs/dbraw/zinc/69/02/10/637690210.db2.gz BFYOFWFTZNKHBC-LLVKDONJSA-N 1 0 227.308 0.870 20 5 BCBDRO CC(C)(CNCC[N+](=O)[O-])C[NH+]1CCCC1 ZINC000905230528 637691017 /nfs/dbraw/zinc/69/10/17/637691017.db2.gz NGNSPCCSFGYCBE-UHFFFAOYSA-N 1 0 229.324 0.975 20 5 BCBDRO CO[C@@](C)(C[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905262964 637717951 /nfs/dbraw/zinc/71/79/51/637717951.db2.gz NQPYSWGLOSKMQB-VIFPVBQESA-N 1 0 202.254 0.668 20 5 BCBDRO C[C@@H]1C[C@@H](C[NH2+]CC[N+](=O)[O-])[C@H](C)O1 ZINC000905286735 637739684 /nfs/dbraw/zinc/73/96/84/637739684.db2.gz RLEBIDPLOWLCDT-VGMNWLOBSA-N 1 0 202.254 0.666 20 5 BCBDRO CCCN1C[C@@H](C[NH2+]CC[N+](=O)[O-])CC1=O ZINC000905289042 637739692 /nfs/dbraw/zinc/73/96/92/637739692.db2.gz QBPZDPGLFJSGGB-SECBINFHSA-N 1 0 229.280 0.111 20 5 BCBDRO C[C@@H]1C[C@H](C[NH2+]CC[N+](=O)[O-])[C@H](C)O1 ZINC000905286733 637740210 /nfs/dbraw/zinc/74/02/10/637740210.db2.gz RLEBIDPLOWLCDT-HRDYMLBCSA-N 1 0 202.254 0.666 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000905352150 637770856 /nfs/dbraw/zinc/77/08/56/637770856.db2.gz DBQLIFJQVNNHTH-DTWKUNHWSA-N 1 0 202.254 0.404 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000905342942 637782185 /nfs/dbraw/zinc/78/21/85/637782185.db2.gz DWQMIVUYDDBDTN-VIFPVBQESA-N 1 0 228.248 0.297 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)C1CCCCC1 ZINC000905342352 637782547 /nfs/dbraw/zinc/78/25/47/637782547.db2.gz WHTAHRGKNGETSC-SNVBAGLBSA-N 1 0 216.281 0.794 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC1SCCS1 ZINC000905380135 637783125 /nfs/dbraw/zinc/78/31/25/637783125.db2.gz GPKFIEREEZYFNM-UHFFFAOYSA-N 1 0 208.308 0.659 20 5 BCBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000905362895 637788140 /nfs/dbraw/zinc/78/81/40/637788140.db2.gz BJBOFDNWCXNVCF-PWSUYJOCSA-N 1 0 238.287 0.845 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1cccnc1 ZINC000905364916 637788263 /nfs/dbraw/zinc/78/82/63/637788263.db2.gz HGDPZAYUWBSARX-LLVKDONJSA-N 1 0 239.275 0.099 20 5 BCBDRO CC[C@H](C[C@@H](C)CO)[NH2+]CC[N+](=O)[O-] ZINC000905362902 637788359 /nfs/dbraw/zinc/78/83/59/637788359.db2.gz BJYUEJLVLPRLQV-RKDXNWHRSA-N 1 0 204.270 0.650 20 5 BCBDRO CC(C)(C)C[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905367093 637789578 /nfs/dbraw/zinc/78/95/78/637789578.db2.gz IDWSRUIAAJMLEA-QMMMGPOBSA-N 1 0 204.270 0.650 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1C1CCOCC1 ZINC000905410174 637800422 /nfs/dbraw/zinc/80/04/22/637800422.db2.gz ZWBWFMSNLCNLMW-VHSXEESVSA-N 1 0 214.265 0.668 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](CO)CCc1ccccc1 ZINC000905543777 637841080 /nfs/dbraw/zinc/84/10/80/637841080.db2.gz PZHSOWNKKDETNX-GFCCVEGCSA-N 1 0 238.287 0.846 20 5 BCBDRO COC(=O)CC1CC([NH2+]CC[N+](=O)[O-])C1 ZINC000905531176 637846004 /nfs/dbraw/zinc/84/60/04/637846004.db2.gz VJQWAANBJXBWEB-UHFFFAOYSA-N 1 0 216.237 0.194 20 5 BCBDRO CC(C)O[C@@]1(C[NH2+]CC[N+](=O)[O-])CCOC1 ZINC000905559544 637847139 /nfs/dbraw/zinc/84/71/39/637847139.db2.gz YBMBHGVEYBGUGS-SNVBAGLBSA-N 1 0 232.280 0.437 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000905688700 637883047 /nfs/dbraw/zinc/88/30/47/637883047.db2.gz ZCWACOVVXBULKT-VHSXEESVSA-N 1 0 226.276 0.812 20 5 BCBDRO C[C@@]1(O)CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000930279237 639679008 /nfs/dbraw/zinc/67/90/08/639679008.db2.gz LTTRJDKTMQVGDX-SECBINFHSA-N 1 0 202.254 0.500 20 5 BCBDRO CN(CCC[N@H+](C)CC[N+](=O)[O-])CC[NH+](C)C ZINC000930500467 639785244 /nfs/dbraw/zinc/78/52/44/639785244.db2.gz SYFHXNKZYDSKDT-UHFFFAOYSA-N 1 0 246.355 0.078 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](CO)C1CCCC1 ZINC000930525145 639798976 /nfs/dbraw/zinc/79/89/76/639798976.db2.gz PJBUCKVPMLAMKS-VIFPVBQESA-N 1 0 202.254 0.404 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC2(CC1)OCCCO2 ZINC000930580696 639813544 /nfs/dbraw/zinc/81/35/44/639813544.db2.gz NYXSRGSMTPWXHH-UHFFFAOYSA-N 1 0 230.264 0.492 20 5 BCBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC[N+](=O)[O-])C1 ZINC000930672129 639856756 /nfs/dbraw/zinc/85/67/56/639856756.db2.gz GVJSOHNVEODZOC-SNVBAGLBSA-N 1 0 215.297 0.678 20 5 BCBDRO Cn1ncc2c1CCC[N@H+](CC[N+](=O)[O-])C2 ZINC000930710816 639873322 /nfs/dbraw/zinc/87/33/22/639873322.db2.gz CTIXTWVWJIKLAB-UHFFFAOYSA-N 1 0 224.264 0.445 20 5 BCBDRO COC1([C@H](C)[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000930756384 639900004 /nfs/dbraw/zinc/90/00/04/639900004.db2.gz VZGBGVGVESGPGP-VIFPVBQESA-N 1 0 232.280 0.437 20 5 BCBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000930846062 639944484 /nfs/dbraw/zinc/94/44/84/639944484.db2.gz ASBYATBEJJEFBG-BDAKNGLRSA-N 1 0 204.270 0.650 20 5 BCBDRO C[C@@H]1C[NH+](CC[N+](=O)[O-])C[C@@H](C)C1O ZINC000930997423 640015974 /nfs/dbraw/zinc/01/59/74/640015974.db2.gz YBCNTURSQBRLSV-HTQZYQBOSA-N 1 0 202.254 0.212 20 5 BCBDRO C[C@]12COC[C@@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000931021616 640026655 /nfs/dbraw/zinc/02/66/55/640026655.db2.gz ZUGSCRWKQKZVSL-IUCAKERBSA-N 1 0 200.238 0.231 20 5 BCBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931065258 640041445 /nfs/dbraw/zinc/04/14/45/640041445.db2.gz MNXQPCDRSZMTPH-JTQLQIEISA-N 1 0 243.307 0.500 20 5 BCBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1CO ZINC000931102863 640066830 /nfs/dbraw/zinc/06/68/30/640066830.db2.gz HYVOYOZXLHPZPA-RKDXNWHRSA-N 1 0 202.254 0.213 20 5 BCBDRO C[NH+]1C[C@]2(C)CN(CC[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931311738 640148177 /nfs/dbraw/zinc/14/81/77/640148177.db2.gz MJSSNOHHVASAEF-GHMZBOCLSA-N 1 0 227.308 0.537 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000931549645 640269394 /nfs/dbraw/zinc/26/93/94/640269394.db2.gz NYJFKOMYWJBCFU-DTWKUNHWSA-N 1 0 216.306 0.948 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000931549646 640270058 /nfs/dbraw/zinc/27/00/58/640270058.db2.gz NYJFKOMYWJBCFU-IUCAKERBSA-N 1 0 216.306 0.948 20 5 BCBDRO CC1(C)C[C@@H](O)C[N@H+](CC[N+](=O)[O-])C1 ZINC000931552168 640270883 /nfs/dbraw/zinc/27/08/83/640270883.db2.gz UADVSZOXAVXGBC-MRVPVSSYSA-N 1 0 202.254 0.356 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000931564839 640275549 /nfs/dbraw/zinc/27/55/49/640275549.db2.gz UWQZZZCPNGHHLN-BDAKNGLRSA-N 1 0 200.238 0.564 20 5 BCBDRO C[C@@H]1COC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000932496021 640557332 /nfs/dbraw/zinc/55/73/32/640557332.db2.gz KFHKUFFSYATSJL-BDAKNGLRSA-N 1 0 240.263 0.416 20 5 BCBDRO CC(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001030294716 640736757 /nfs/dbraw/zinc/73/67/57/640736757.db2.gz RMDFUUPTPMYVNA-NXEZZACHSA-N 1 0 241.291 0.108 20 5 BCBDRO CCO[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929678205 641393337 /nfs/dbraw/zinc/39/33/37/641393337.db2.gz HLDGWYJPNGUQLP-SECBINFHSA-N 1 0 202.254 0.764 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000929527205 646173206 /nfs/dbraw/zinc/17/32/06/646173206.db2.gz HNIBWVUTBISMSM-JTQLQIEISA-N 1 0 224.264 0.797 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCC[C@H](CCO)C1 ZINC000929529360 646173829 /nfs/dbraw/zinc/17/38/29/646173829.db2.gz SEJPNEXIKBAEKJ-SECBINFHSA-N 1 0 202.254 0.358 20 5 BCBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929594945 646191058 /nfs/dbraw/zinc/19/10/58/646191058.db2.gz KRARSPJDAIKJPF-IUCAKERBSA-N 1 0 202.254 0.498 20 5 BCBDRO COC(=O)[C@H]1CC12CC[NH+](CC[N+](=O)[O-])CC2 ZINC000929643845 646219670 /nfs/dbraw/zinc/21/96/70/646219670.db2.gz JPRQZIMBNFVNPV-SECBINFHSA-N 1 0 242.275 0.538 20 5 BCBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930057212 646414760 /nfs/dbraw/zinc/41/47/60/646414760.db2.gz BHRSQWYAKGHXHD-QMMMGPOBSA-N 1 0 216.237 0.291 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000930077988 646422325 /nfs/dbraw/zinc/42/23/25/646422325.db2.gz WYBPJSVNKNZGCA-JTQLQIEISA-N 1 0 239.279 0.267 20 5 BCBDRO Cn1ccnc1[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930093837 646432085 /nfs/dbraw/zinc/43/20/85/646432085.db2.gz NEFWSJPAYIALJM-VIFPVBQESA-N 1 0 224.264 0.486 20 5 BCBDRO CS[C@@H]1CN(CC[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000930128687 646452023 /nfs/dbraw/zinc/45/20/23/646452023.db2.gz NIODLWYWQUJBOW-DTWKUNHWSA-N 1 0 233.337 0.241 20 5 BCBDRO C[C@]1(CCCO)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930157526 646452332 /nfs/dbraw/zinc/45/23/32/646452332.db2.gz GAPHMZACISOCFX-SNVBAGLBSA-N 1 0 216.281 0.890 20 5 BCBDRO C[C@H](O)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000717391493 712653889 /nfs/dbraw/zinc/65/38/89/712653889.db2.gz BAPPIFFPHYFFPM-GZMMTYOYSA-N 1 0 240.259 0.426 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000931005743 711706530 /nfs/dbraw/zinc/70/65/30/711706530.db2.gz JRXRSPRAPWWRSF-SNVBAGLBSA-N 1 0 239.279 0.582 20 5 BCBDRO C[N@@H+]1CC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000712590576 712435551 /nfs/dbraw/zinc/43/55/51/712435551.db2.gz CQUCOXIKPDEMNE-SSDOTTSWSA-N 1 0 238.247 0.811 20 5 BCBDRO CC[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000712595518 712436327 /nfs/dbraw/zinc/43/63/27/712436327.db2.gz QQNLMBDPXOLMAY-QMMMGPOBSA-N 1 0 237.263 0.891 20 5 BCBDRO CC1(C)C[N@H+](CC[N+](=O)[O-])CC[C@H]1O ZINC000930250773 712615625 /nfs/dbraw/zinc/61/56/25/712615625.db2.gz QWGSTCFKKCORDG-MRVPVSSYSA-N 1 0 202.254 0.356 20 5 BCBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])nc1 ZINC000717367420 712652578 /nfs/dbraw/zinc/65/25/78/712652578.db2.gz SHAHCDMGVTUHAL-SECBINFHSA-N 1 0 240.263 0.324 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602490197 349571374 /nfs/dbraw/zinc/57/13/74/349571374.db2.gz BBKFHVVUDMVPMH-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO Cc1nn(CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000060888318 398326401 /nfs/dbraw/zinc/32/64/01/398326401.db2.gz WWMPYPMQSWPLHS-UHFFFAOYSA-N 1 0 212.253 0.970 20 5 BCBDRO CC(C)[C@@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000362188530 398334187 /nfs/dbraw/zinc/33/41/87/398334187.db2.gz HXYLITFRQVQJGM-MRVPVSSYSA-N 1 0 242.279 0.435 20 5 BCBDRO Cc1ccnc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000070062874 343297361 /nfs/dbraw/zinc/29/73/61/343297361.db2.gz NGXZSEHAUBFPLG-QMMMGPOBSA-N 1 0 222.248 0.836 20 5 BCBDRO C[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079443 343420429 /nfs/dbraw/zinc/42/04/29/343420429.db2.gz WKBRBRIJZQBONU-SECBINFHSA-N 1 0 240.259 0.944 20 5 BCBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000380032271 343671660 /nfs/dbraw/zinc/67/16/60/343671660.db2.gz GSWCKQAZKCGDTE-ZETCQYMHSA-N 1 0 240.263 0.400 20 5 BCBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000380021475 343670330 /nfs/dbraw/zinc/67/03/30/343670330.db2.gz DMSLDNBPUYYBRN-SSDOTTSWSA-N 1 0 240.263 0.780 20 5 BCBDRO CC[N@H+](C)C[C@H](O)Cn1nc([N+](=O)[O-])cc1C ZINC000380217122 343694938 /nfs/dbraw/zinc/69/49/38/343694938.db2.gz VJVUNYUWNFKJMO-VIFPVBQESA-N 1 0 242.279 0.412 20 5 BCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000320662904 344450144 /nfs/dbraw/zinc/45/01/44/344450144.db2.gz IHPSEOGMAUZKCS-RNFRBKRXSA-N 1 0 240.263 0.779 20 5 BCBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611337012 344477152 /nfs/dbraw/zinc/47/71/52/344477152.db2.gz REEMBTYWQZBTOY-BDAKNGLRSA-N 1 0 242.279 0.804 20 5 BCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000381681265 344534548 /nfs/dbraw/zinc/53/45/48/344534548.db2.gz DCTCEEGIAKRAIC-PHDIDXHHSA-N 1 0 226.236 0.388 20 5 BCBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])nc1 ZINC000080685202 345431494 /nfs/dbraw/zinc/43/14/94/345431494.db2.gz YBXHUQZLTMSNIW-UHFFFAOYSA-N 1 0 224.264 0.988 20 5 BCBDRO Cc1ccc(NC(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000167771712 345723010 /nfs/dbraw/zinc/72/30/10/345723010.db2.gz NWPJPSQYNOODBH-UHFFFAOYSA-N 1 0 238.247 0.983 20 5 BCBDRO C[C@H]1C[C@H]([NH3+])CN1CCn1cc([N+](=O)[O-])cn1 ZINC000601329074 345775108 /nfs/dbraw/zinc/77/51/08/345775108.db2.gz DRLAAOQNQGJCCO-IUCAKERBSA-N 1 0 239.279 0.213 20 5 BCBDRO C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000216434296 347088911 /nfs/dbraw/zinc/08/89/11/347088911.db2.gz PXXSGGPQSDWEAO-SZEHBUNVSA-N 1 0 240.263 0.150 20 5 BCBDRO Cc1cccc(C(=O)N[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000111302919 179023524 /nfs/dbraw/zinc/02/35/24/179023524.db2.gz BFKNEQZPMIQUCW-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1cccc(C(=O)NCC[NH3+])c1[N+](=O)[O-] ZINC000019281210 179017276 /nfs/dbraw/zinc/01/72/76/179017276.db2.gz BKALFGJZDGUVDY-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO C[NH+](C)CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000309729278 347148175 /nfs/dbraw/zinc/14/81/75/347148175.db2.gz DYQRSAWDIYIMKH-UHFFFAOYSA-N 1 0 225.252 0.546 20 5 BCBDRO Cc1cnc(OCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000592162339 347746059 /nfs/dbraw/zinc/74/60/59/347746059.db2.gz WWLWFUGEIKGRCH-UHFFFAOYSA-N 1 0 223.232 0.896 20 5 BCBDRO [NH3+]CCCc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649109 348088227 /nfs/dbraw/zinc/08/82/27/348088227.db2.gz HMHAXVOFQQOBDU-UHFFFAOYSA-N 1 0 248.246 0.462 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000595982662 348417174 /nfs/dbraw/zinc/41/71/74/348417174.db2.gz LCBGTEQLIMIBLM-MRVPVSSYSA-N 1 0 237.259 0.933 20 5 BCBDRO C[NH+](C)CC1CN(c2cccnc2[N+](=O)[O-])C1 ZINC000596247309 348486959 /nfs/dbraw/zinc/48/69/59/348486959.db2.gz NEZMMRCVMJEUEH-UHFFFAOYSA-N 1 0 236.275 0.988 20 5 BCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])cn3)C[C@H]21 ZINC000599084010 349096673 /nfs/dbraw/zinc/09/66/73/349096673.db2.gz OOKWUUAAOVDARP-MYJAWHEDSA-N 1 0 249.274 0.381 20 5 BCBDRO Cc1nn(C)c(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000038089141 180358598 /nfs/dbraw/zinc/35/85/98/180358598.db2.gz BRNZCKRVVYYRFX-ZETCQYMHSA-N 1 0 241.295 0.999 20 5 BCBDRO Cc1nn(C)c(N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000071397795 180360640 /nfs/dbraw/zinc/36/06/40/180360640.db2.gz RAOCBWBSXDGYNM-QMMMGPOBSA-N 1 0 239.279 0.801 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000052093081 350914910 /nfs/dbraw/zinc/91/49/10/350914910.db2.gz XOYACYJJWKDGRU-SECBINFHSA-N 1 0 249.270 0.995 20 5 BCBDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000137110517 351308761 /nfs/dbraw/zinc/30/87/61/351308761.db2.gz ARLYQFPOMNHGNY-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000063170284 351266327 /nfs/dbraw/zinc/26/63/27/351266327.db2.gz SCVVDTQZIKJRNB-ZETCQYMHSA-N 1 0 240.263 0.400 20 5 BCBDRO Cc1ccc(C[NH2+][C@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000035047484 351391122 /nfs/dbraw/zinc/39/11/22/351391122.db2.gz MOGRJVZSMYPVBZ-MRVPVSSYSA-N 1 0 237.259 0.867 20 5 BCBDRO NC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000341484817 181190009 /nfs/dbraw/zinc/19/00/09/181190009.db2.gz MPCCZQKSHLUOLF-UHFFFAOYSA-N 1 0 223.236 0.490 20 5 BCBDRO Cc1c(C[NH2+]C(CO)CO)cccc1[N+](=O)[O-] ZINC000087753196 355836766 /nfs/dbraw/zinc/83/67/66/355836766.db2.gz ZCAZPCPARGZNHK-UHFFFAOYSA-N 1 0 240.259 0.346 20 5 BCBDRO CN(CC[NH3+])c1ncc([N+](=O)[O-])cc1F ZINC000420286697 192201842 /nfs/dbraw/zinc/20/18/42/192201842.db2.gz QTXNYGAPQIWNKE-UHFFFAOYSA-N 1 0 214.200 0.524 20 5 BCBDRO CN(CCn1cc([N+](=O)[O-])cn1)C1CC([NH3+])C1 ZINC000420331892 192215228 /nfs/dbraw/zinc/21/52/28/192215228.db2.gz MSTNZAHIVKQFHA-UHFFFAOYSA-N 1 0 239.279 0.213 20 5 BCBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[NH2+]1 ZINC000088059080 356473654 /nfs/dbraw/zinc/47/36/54/356473654.db2.gz XGZODCVMJJLHTQ-SSDOTTSWSA-N 1 0 238.247 0.357 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH3+])c1 ZINC000088147761 356539191 /nfs/dbraw/zinc/53/91/91/356539191.db2.gz GFSMWQURIUCTDV-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]1 ZINC000384798887 356753412 /nfs/dbraw/zinc/75/34/12/356753412.db2.gz BZHALXVGCVIJJN-LLVKDONJSA-N 1 0 249.270 0.615 20 5 BCBDRO C[N@@H+]1CC[C@@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000191094363 357749579 /nfs/dbraw/zinc/74/95/79/357749579.db2.gz XOYRELGMCXSHOE-MRVPVSSYSA-N 1 0 210.237 0.743 20 5 BCBDRO C[NH2+][C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000054076879 359001843 /nfs/dbraw/zinc/00/18/43/359001843.db2.gz PAIJSYPSERRUDP-QMMMGPOBSA-N 1 0 237.259 0.819 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[C@H]2CC[NH2+]C2)c1 ZINC000108322401 369387686 /nfs/dbraw/zinc/38/76/86/369387686.db2.gz JITZZPBPBQBGCF-MRVPVSSYSA-N 1 0 210.237 0.791 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[C@@H]2CC[NH2+]C2)c1 ZINC000108322397 369388338 /nfs/dbraw/zinc/38/83/38/369388338.db2.gz JITZZPBPBQBGCF-QMMMGPOBSA-N 1 0 210.237 0.791 20 5 BCBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOCCO ZINC000020199133 371241845 /nfs/dbraw/zinc/24/18/45/371241845.db2.gz VUWPSFNAXQDLHV-UHFFFAOYSA-N 1 0 240.259 0.693 20 5 BCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000108243497 182043193 /nfs/dbraw/zinc/04/31/93/182043193.db2.gz FBEBIENMMBKGRR-UHFFFAOYSA-N 1 0 249.270 0.569 20 5 BCBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000071397102 182295079 /nfs/dbraw/zinc/29/50/79/182295079.db2.gz YMMQTRPSXQMBSE-SSDOTTSWSA-N 1 0 238.247 0.405 20 5 BCBDRO CCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075674804 169079577 /nfs/dbraw/zinc/07/95/77/169079577.db2.gz XCVSAKZJWKJGLF-SNVBAGLBSA-N 1 0 242.279 0.494 20 5 BCBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000054263958 169259161 /nfs/dbraw/zinc/25/91/61/169259161.db2.gz FYFPUANHCXUWEW-UHFFFAOYSA-N 1 0 240.263 0.652 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000088147703 383879792 /nfs/dbraw/zinc/87/97/92/383879792.db2.gz BHVNOBOUXWVVGW-SECBINFHSA-N 1 0 249.270 0.995 20 5 BCBDRO Cc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000111302950 383852877 /nfs/dbraw/zinc/85/28/77/383852877.db2.gz LEZPKPFOHFBVGV-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000087383685 383833518 /nfs/dbraw/zinc/83/35/18/383833518.db2.gz SSDJJAZXEJKFRV-MRVPVSSYSA-N 1 0 238.247 0.390 20 5 BCBDRO CC[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015957 383887822 /nfs/dbraw/zinc/88/78/22/383887822.db2.gz RDPNPPMDZXFNTG-VIFPVBQESA-N 1 0 237.259 0.948 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000050228278 383976033 /nfs/dbraw/zinc/97/60/33/383976033.db2.gz YBVSCJOKDIMIMC-VIFPVBQESA-N 1 0 235.243 0.768 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000050228279 383976888 /nfs/dbraw/zinc/97/68/88/383976888.db2.gz YBVSCJOKDIMIMC-SECBINFHSA-N 1 0 235.243 0.768 20 5 BCBDRO COC[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000234795192 384017449 /nfs/dbraw/zinc/01/74/49/384017449.db2.gz BXEPTNGPJZZNMQ-JTQLQIEISA-N 1 0 240.259 0.692 20 5 BCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000148803467 384407943 /nfs/dbraw/zinc/40/79/43/384407943.db2.gz YPJYQZIHYBFQII-SSDOTTSWSA-N 1 0 240.263 0.508 20 5 BCBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C1CC([NH3+])C1 ZINC000564656704 384552717 /nfs/dbraw/zinc/55/27/17/384552717.db2.gz BHWVGJCXIXTYPC-UHFFFAOYSA-N 1 0 239.279 0.250 20 5 BCBDRO Cc1c(C(=O)N[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000104215703 384813399 /nfs/dbraw/zinc/81/33/99/384813399.db2.gz XNPBZUCPVVZACX-ZETCQYMHSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000052092854 385657801 /nfs/dbraw/zinc/65/78/01/385657801.db2.gz ZWXWXOPCBXIIIH-SECBINFHSA-N 1 0 249.270 0.995 20 5 BCBDRO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000052277454 385714364 /nfs/dbraw/zinc/71/43/64/385714364.db2.gz PXXSGGPQSDWEAO-FKTZTGRPSA-N 1 0 240.263 0.150 20 5 BCBDRO C[NH2+][C@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000261561764 385819275 /nfs/dbraw/zinc/81/92/75/385819275.db2.gz AUCREJTVCCVWHM-ZCFIWIBFSA-N 1 0 243.288 0.994 20 5 BCBDRO COC[C@](C)([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000265061980 385924406 /nfs/dbraw/zinc/92/44/06/385924406.db2.gz SWHLBDIPYJNMBD-SNVBAGLBSA-N 1 0 240.263 0.766 20 5 BCBDRO COC[C@@](C)([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000265061978 385925832 /nfs/dbraw/zinc/92/58/32/385925832.db2.gz SWHLBDIPYJNMBD-JTQLQIEISA-N 1 0 240.263 0.766 20 5 BCBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000342130732 385865888 /nfs/dbraw/zinc/86/58/88/385865888.db2.gz GKUXZEGGHRHSTP-UHFFFAOYSA-N 1 0 238.247 0.309 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](C)O ZINC000051837526 385947556 /nfs/dbraw/zinc/94/75/56/385947556.db2.gz PFNLHGGMZCPNRP-MRVPVSSYSA-N 1 0 242.279 0.412 20 5 BCBDRO Cc1cc(C(=O)NCC[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000262508584 386172512 /nfs/dbraw/zinc/17/25/12/386172512.db2.gz JVRMXEVHLZAVOF-UHFFFAOYSA-N 1 0 238.247 0.174 20 5 BCBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000063170568 386324815 /nfs/dbraw/zinc/32/48/15/386324815.db2.gz XSEUZKHSXVFHNT-LURJTMIESA-N 1 0 227.220 0.655 20 5 BCBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)CO)c1 ZINC000052926370 386370894 /nfs/dbraw/zinc/37/08/94/386370894.db2.gz CMOIVBJVAVTHME-JTQLQIEISA-N 1 0 226.232 0.038 20 5 BCBDRO Cn1cccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151255410 386466763 /nfs/dbraw/zinc/46/67/63/386466763.db2.gz SXRBOBBGSKOIHE-UHFFFAOYSA-N 1 0 249.274 0.920 20 5 BCBDRO CC[C@@H]([NH3+])CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000518532044 386515381 /nfs/dbraw/zinc/51/53/81/386515381.db2.gz QJLWTEWYFPULSR-ZCFIWIBFSA-N 1 0 241.251 0.093 20 5 BCBDRO Cc1c(NC(=O)NCC[NH3+])cccc1[N+](=O)[O-] ZINC000414699210 386721772 /nfs/dbraw/zinc/72/17/72/386721772.db2.gz JOKUALJFLPHCMB-UHFFFAOYSA-N 1 0 238.247 0.983 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000228393027 387198380 /nfs/dbraw/zinc/19/83/80/387198380.db2.gz ZLCQXHHJEUAMRI-QMMMGPOBSA-N 1 0 237.259 0.601 20 5 BCBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000040454862 387666932 /nfs/dbraw/zinc/66/69/32/387666932.db2.gz MJZUSSBYPIIETB-ZETCQYMHSA-N 1 0 225.252 0.747 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000237567568 387690182 /nfs/dbraw/zinc/69/01/82/387690182.db2.gz YMOSJVXSVHEDRJ-MRVPVSSYSA-N 1 0 237.259 0.919 20 5 BCBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000052092956 177813670 /nfs/dbraw/zinc/81/36/70/177813670.db2.gz RMBYONLUAAXYSC-JTQLQIEISA-N 1 0 249.270 0.995 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000082576761 388037561 /nfs/dbraw/zinc/03/75/61/388037561.db2.gz MYKDVOQJKAQEKQ-ZCFIWIBFSA-N 1 0 226.236 0.010 20 5 BCBDRO C[N@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353187426 388368779 /nfs/dbraw/zinc/36/87/79/388368779.db2.gz WXUDYUPOPIAIBL-UHFFFAOYSA-N 1 0 237.259 0.902 20 5 BCBDRO CN(CC[NH3+])C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000228392876 388382799 /nfs/dbraw/zinc/38/27/99/388382799.db2.gz NIINQQRFHKPQHB-UHFFFAOYSA-N 1 0 237.259 0.554 20 5 BCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173531922 388424157 /nfs/dbraw/zinc/42/41/57/388424157.db2.gz WFAQZVYJAPPOHN-SNVBAGLBSA-N 1 0 240.263 0.246 20 5 BCBDRO CN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054417385 388518780 /nfs/dbraw/zinc/51/87/80/388518780.db2.gz GFLSQNNPDTXUDI-UHFFFAOYSA-N 1 0 241.222 0.765 20 5 BCBDRO CN(CC[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000054417546 388518861 /nfs/dbraw/zinc/51/88/61/388518861.db2.gz YHJVNUKZAZRLRH-UHFFFAOYSA-N 1 0 237.259 0.554 20 5 BCBDRO CN(CC[NH3+])C(=O)c1csc([N+](=O)[O-])c1 ZINC000054417320 388519162 /nfs/dbraw/zinc/51/91/62/388519162.db2.gz GCPRDQJQEPGUTK-UHFFFAOYSA-N 1 0 229.261 0.687 20 5 BCBDRO C[NH2+]CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000211575159 256825047 /nfs/dbraw/zinc/82/50/47/256825047.db2.gz VAARSBPATBCHJR-DAXSKMNVSA-N 1 0 249.270 0.944 20 5 BCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1C[NH2+]C1 ZINC000091408592 388629420 /nfs/dbraw/zinc/62/94/20/388629420.db2.gz QCWKKQCZZYTZGT-UHFFFAOYSA-N 1 0 249.270 0.773 20 5 BCBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423464826 388692468 /nfs/dbraw/zinc/69/24/68/388692468.db2.gz RCKOEKCPDDCGDQ-UHFFFAOYSA-N 1 0 241.251 0.047 20 5 BCBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374478661 388715055 /nfs/dbraw/zinc/71/50/55/388715055.db2.gz CSDLMDARRWQHQM-RGOKHQFPSA-N 1 0 239.275 0.005 20 5 BCBDRO C[C@H](Cn1cccc([N+](=O)[O-])c1=O)[NH+](C)C ZINC000330884989 388761103 /nfs/dbraw/zinc/76/11/03/388761103.db2.gz PYAPPYFLPUFFFG-MRVPVSSYSA-N 1 0 225.248 0.707 20 5 BCBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ncccc1[N+](=O)[O-] ZINC000261598996 135236445 /nfs/dbraw/zinc/23/64/45/135236445.db2.gz ZQVMJRKFFTWKCZ-YUMQZZPRSA-N 1 0 222.248 0.916 20 5 BCBDRO O=C(NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000262026029 135274230 /nfs/dbraw/zinc/27/42/30/135274230.db2.gz NGDGZWPDKPQDEU-UHFFFAOYSA-N 1 0 241.272 0.606 20 5 BCBDRO Cc1cccc(C(=O)NCC2C[NH2+]C2)c1[N+](=O)[O-] ZINC000262043519 135275756 /nfs/dbraw/zinc/27/57/56/135275756.db2.gz SWCLFGRRJXKYMF-UHFFFAOYSA-N 1 0 249.270 0.852 20 5 BCBDRO C[NH+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273615187 397747364 /nfs/dbraw/zinc/74/73/64/397747364.db2.gz MZOJHAOWFABNNW-QMMMGPOBSA-N 1 0 237.263 0.525 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2CO)c1 ZINC000174867917 398015779 /nfs/dbraw/zinc/01/57/79/398015779.db2.gz LUEJVRGUXMHUKH-SECBINFHSA-N 1 0 240.263 0.248 20 5 BCBDRO Cc1nc(NCC[NH+]2CCC2)ncc1[N+](=O)[O-] ZINC000450409334 410149991 /nfs/dbraw/zinc/14/99/91/410149991.db2.gz ULJNVFXCXVJGLQ-UHFFFAOYSA-N 1 0 237.263 0.811 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCO ZINC000049633650 411241899 /nfs/dbraw/zinc/24/18/99/411241899.db2.gz BTMTYNLABJAJKZ-UHFFFAOYSA-N 1 0 228.252 0.024 20 5 BCBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054263181 170115550 /nfs/dbraw/zinc/11/55/50/170115550.db2.gz UDBZGALLKOWKTH-UHFFFAOYSA-N 1 0 226.236 0.262 20 5 BCBDRO CC[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420241258 411650507 /nfs/dbraw/zinc/65/05/07/411650507.db2.gz HOQOMPWCQHMPRN-SSDOTTSWSA-N 1 0 239.279 1.103 20 5 BCBDRO Cc1nc(NC[C@@H]([NH3+])C2CC2)ncc1[N+](=O)[O-] ZINC000420220921 411775155 /nfs/dbraw/zinc/77/51/55/411775155.db2.gz XFHLHYWTTOQIJB-MRVPVSSYSA-N 1 0 237.263 0.842 20 5 BCBDRO C[NH+](C)CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000390301667 411910506 /nfs/dbraw/zinc/91/05/06/411910506.db2.gz CQVFUILPEGPTFI-UHFFFAOYSA-N 1 0 243.292 0.621 20 5 BCBDRO CN(C)C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037207452 172369862 /nfs/dbraw/zinc/36/98/62/172369862.db2.gz UGONGGOJOFETJE-UHFFFAOYSA-N 1 0 237.259 0.773 20 5 BCBDRO CN(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037207453 172370434 /nfs/dbraw/zinc/37/04/34/172370434.db2.gz VTAIZYPBKFSBLW-UHFFFAOYSA-N 1 0 237.259 0.773 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)C1 ZINC000037647703 173146682 /nfs/dbraw/zinc/14/66/82/173146682.db2.gz RLDZWZHEMRZFFG-MRVPVSSYSA-N 1 0 239.279 0.692 20 5 BCBDRO CNC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037207397 173277422 /nfs/dbraw/zinc/27/74/22/173277422.db2.gz PWWQQPFRCKDNEV-UHFFFAOYSA-N 1 0 223.232 0.430 20 5 BCBDRO C[NH2+]CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668497 173329855 /nfs/dbraw/zinc/32/98/55/173329855.db2.gz FJYAVCOCBNOVEB-UHFFFAOYSA-N 1 0 223.232 0.430 20 5 BCBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000036280334 173349231 /nfs/dbraw/zinc/34/92/31/173349231.db2.gz YMITXMBDVSKIDR-UHFFFAOYSA-N 1 0 226.236 0.262 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000069801675 173352014 /nfs/dbraw/zinc/35/20/14/173352014.db2.gz JAQDDLKNTXEITO-UHFFFAOYSA-N 1 0 227.220 0.479 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000069801377 173352626 /nfs/dbraw/zinc/35/26/26/173352626.db2.gz OEVXCLNNOQHOAC-UHFFFAOYSA-N 1 0 243.288 0.948 20 5 BCBDRO C[NH2+]CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000054244245 173355409 /nfs/dbraw/zinc/35/54/09/173355409.db2.gz HIYGFAHPAVEJFB-UHFFFAOYSA-N 1 0 237.259 0.473 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000054244147 173356337 /nfs/dbraw/zinc/35/63/37/173356337.db2.gz VTMNGKXIWITTMD-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261560881 173415994 /nfs/dbraw/zinc/41/59/94/173415994.db2.gz AHBKJZHSYFHZRG-LURJTMIESA-N 1 0 227.220 0.526 20 5 BCBDRO C[NH2+][C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261544296 173416370 /nfs/dbraw/zinc/41/63/70/173416370.db2.gz DQHHWHAICFQKDH-QMMMGPOBSA-N 1 0 237.259 0.933 20 5 BCBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261560882 173446397 /nfs/dbraw/zinc/44/63/97/173446397.db2.gz AHBKJZHSYFHZRG-ZCFIWIBFSA-N 1 0 227.220 0.526 20 5 BCBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000336657406 176627607 /nfs/dbraw/zinc/62/76/07/176627607.db2.gz LWZBLFDPWMAAEB-ZCFIWIBFSA-N 1 0 226.236 0.390 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000111302963 176661329 /nfs/dbraw/zinc/66/13/29/176661329.db2.gz DLTLIYVEMQKKJC-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO [NH3+]CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000563080182 323087734 /nfs/dbraw/zinc/08/77/34/323087734.db2.gz JBSLPBPCRQVHBB-UHFFFAOYSA-N 1 0 217.612 0.369 20 5 BCBDRO Cc1nc(N(C)[C@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000563660747 323134177 /nfs/dbraw/zinc/13/41/77/323134177.db2.gz GACLKDJKDYVFBW-QMMMGPOBSA-N 1 0 237.263 0.491 20 5 BCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000567925665 326284189 /nfs/dbraw/zinc/28/41/89/326284189.db2.gz QUCJKTQHCVBJRE-NTSWFWBYSA-N 1 0 241.251 0.174 20 5 BCBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000052092955 518186541 /nfs/dbraw/zinc/18/65/41/518186541.db2.gz RMBYONLUAAXYSC-SNVBAGLBSA-N 1 0 249.270 0.995 20 5 BCBDRO CC(C)[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])[NH+](C)C ZINC000813102235 582580218 /nfs/dbraw/zinc/58/02/18/582580218.db2.gz CGFNAUUPVMHAHT-IUCAKERBSA-N 1 0 232.280 0.781 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C ZINC000892007430 582760731 /nfs/dbraw/zinc/76/07/31/582760731.db2.gz IYZYJSSUOKMMHC-MRVPVSSYSA-N 1 0 239.279 0.834 20 5 BCBDRO C[NH2+]C1(CNc2c([N+](=O)[O-])cnn2C)CCC1 ZINC000894051296 583289127 /nfs/dbraw/zinc/28/91/27/583289127.db2.gz DYHOLBCOHMBEPQ-UHFFFAOYSA-N 1 0 239.279 0.882 20 5 BCBDRO COC[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000739868863 583370636 /nfs/dbraw/zinc/37/06/36/583370636.db2.gz GJTYIFWVDOJKJW-SECBINFHSA-N 1 0 240.263 0.717 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880485601 583544389 /nfs/dbraw/zinc/54/43/89/583544389.db2.gz DVWACEHHLGDGRW-SECBINFHSA-N 1 0 238.247 0.024 20 5 BCBDRO CC(C)[NH+](CCNCC[N+](=O)[O-])C(C)C ZINC000899860598 584242768 /nfs/dbraw/zinc/24/27/68/584242768.db2.gz SFTBGIVHIOQVJN-UHFFFAOYSA-N 1 0 217.313 0.972 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000899856340 584243926 /nfs/dbraw/zinc/24/39/26/584243926.db2.gz SNCYDOBXMMAVAV-UHFFFAOYSA-N 1 0 224.216 0.782 20 5 BCBDRO COc1ccc(OCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899867573 584244025 /nfs/dbraw/zinc/24/40/25/584244025.db2.gz QIEGLKLIFRZUHT-UHFFFAOYSA-N 1 0 240.259 0.940 20 5 BCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNCC[N+](=O)[O-])C1 ZINC000899875786 584245049 /nfs/dbraw/zinc/24/50/49/584245049.db2.gz IJBGTJCXSMVSLV-NSHDSACASA-N 1 0 245.323 0.210 20 5 BCBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839475994 585105136 /nfs/dbraw/zinc/10/51/36/585105136.db2.gz DSLXOIBVXCGICO-IVZWLZJFSA-N 1 0 241.291 0.252 20 5 BCBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839578463 585330926 /nfs/dbraw/zinc/33/09/26/585330926.db2.gz ZZZPASIPVCHPBB-FXBDTBDDSA-N 1 0 239.275 0.005 20 5 BCBDRO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839621678 585332447 /nfs/dbraw/zinc/33/24/47/585332447.db2.gz IVMTWEIGZXYABT-NXEZZACHSA-N 1 0 241.291 0.110 20 5 BCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839624262 585332782 /nfs/dbraw/zinc/33/27/82/585332782.db2.gz DYOBILSEOWBDFR-NXEZZACHSA-N 1 0 241.291 0.252 20 5 BCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000839690473 585335216 /nfs/dbraw/zinc/33/52/16/585335216.db2.gz ILCKBTGJQZBWFX-IVZWLZJFSA-N 1 0 241.291 0.204 20 5 BCBDRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839728325 585338887 /nfs/dbraw/zinc/33/88/87/585338887.db2.gz MXZCIMWFWLMLCH-NXEZZACHSA-N 1 0 241.291 0.204 20 5 BCBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000839778003 585341351 /nfs/dbraw/zinc/34/13/51/585341351.db2.gz LUFOWNDUNRYSPX-UTINFBMNSA-N 1 0 241.291 0.203 20 5 BCBDRO Cn1c(-c2nc(CC[NH3+])no2)ccc1[N+](=O)[O-] ZINC000843128753 586417150 /nfs/dbraw/zinc/41/71/50/586417150.db2.gz HYSNIYLATYRSIS-UHFFFAOYSA-N 1 0 237.219 0.485 20 5 BCBDRO CC(C)(CCc1noc([C@@H]2C[C@@H]2[NH3+])n1)[N+](=O)[O-] ZINC000823235225 587210552 /nfs/dbraw/zinc/21/05/52/587210552.db2.gz PVIXZOAVJRIMKW-RQJHMYQMSA-N 1 0 240.263 0.872 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843473716 588114137 /nfs/dbraw/zinc/11/41/37/588114137.db2.gz MJLQMHXWPYVFLW-ZCFIWIBFSA-N 1 0 238.247 0.254 20 5 BCBDRO C[C@@H]1[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1C ZINC000845822598 588246698 /nfs/dbraw/zinc/24/66/98/588246698.db2.gz YRJYLHXSSOKBJA-UTINFBMNSA-N 1 0 242.275 0.535 20 5 BCBDRO CC[C@@H](C[NH+](C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870546776 589673274 /nfs/dbraw/zinc/67/32/74/589673274.db2.gz DWBJWNDLZJDPFQ-DJLDLDEBSA-N 1 0 230.264 0.535 20 5 BCBDRO CC(C)[C@@H](C[NH+](C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870565524 589676411 /nfs/dbraw/zinc/67/64/11/589676411.db2.gz VJNCJGATPSCKDD-OPRDCNLKSA-N 1 0 244.291 0.781 20 5 BCBDRO COCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876888039 590254497 /nfs/dbraw/zinc/25/44/97/590254497.db2.gz NBXJYFYTUUBYHR-UHFFFAOYSA-N 1 0 240.263 0.731 20 5 BCBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cn1 ZINC000884823809 592022583 /nfs/dbraw/zinc/02/25/83/592022583.db2.gz GAUSHPDAVDZUTE-UHFFFAOYSA-N 1 0 240.263 0.326 20 5 BCBDRO C[N@H+](CCO)CCNc1ccsc1[N+](=O)[O-] ZINC000884823811 592022770 /nfs/dbraw/zinc/02/27/70/592022770.db2.gz GBUPXQKXCJWERI-UHFFFAOYSA-N 1 0 245.304 0.992 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886335910 592211805 /nfs/dbraw/zinc/21/18/05/592211805.db2.gz KANOWKDXVNTEBA-DTORHVGOSA-N 1 0 222.248 0.743 20 5 BCBDRO CN(Cc1cccnc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000886837344 592359103 /nfs/dbraw/zinc/35/91/03/592359103.db2.gz FMAZZWJETWBRSR-UHFFFAOYSA-N 1 0 222.248 0.393 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933369036 631331654 /nfs/dbraw/zinc/33/16/54/631331654.db2.gz IBSGBOKSQPRDMN-SECBINFHSA-N 1 0 214.265 0.954 20 5 BCBDRO C[C@H]([NH2+]C[C@@H](O)CO)c1ccccc1[N+](=O)[O-] ZINC000090281899 631524584 /nfs/dbraw/zinc/52/45/84/631524584.db2.gz HBNNCOUBWLLUMN-DTWKUNHWSA-N 1 0 240.259 0.599 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]1CO ZINC000934015599 631610419 /nfs/dbraw/zinc/61/04/19/631610419.db2.gz PEHWOCUELOBHFL-VIFPVBQESA-N 1 0 240.263 0.166 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1COc2ccccc2C1 ZINC000905046828 637563170 /nfs/dbraw/zinc/56/31/70/637563170.db2.gz CBROOFGVXDFDNJ-JTQLQIEISA-N 1 0 222.244 0.856 20 5 BCBDRO C[C@@H](CNCC[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000905049749 637566671 /nfs/dbraw/zinc/56/66/71/637566671.db2.gz PXIDYPXRBJSSKC-MNOVXSKESA-N 1 0 229.324 0.973 20 5 BCBDRO CC(C)[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905028515 637577021 /nfs/dbraw/zinc/57/70/21/637577021.db2.gz ULJFSEQTUWQGIO-UHFFFAOYSA-N 1 0 215.297 0.726 20 5 BCBDRO COC(=O)N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905080015 637580488 /nfs/dbraw/zinc/58/04/88/637580488.db2.gz ATLKTFHHNKBLTI-QMMMGPOBSA-N 1 0 231.252 0.084 20 5 BCBDRO C[C@H](CNCC[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000905065342 637599749 /nfs/dbraw/zinc/59/97/49/637599749.db2.gz HOKWSSGNZNIILN-LLVKDONJSA-N 1 0 229.324 0.973 20 5 BCBDRO CC(C)C[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905066125 637599919 /nfs/dbraw/zinc/59/99/19/637599919.db2.gz NTXHFJGOKYFVEN-UHFFFAOYSA-N 1 0 229.324 0.973 20 5 BCBDRO CC(C)[N@@H+]1CCC[C@H](CNCC[N+](=O)[O-])C1 ZINC000905073279 637606250 /nfs/dbraw/zinc/60/62/50/637606250.db2.gz VJOZIKLIHLMYBP-LLVKDONJSA-N 1 0 229.324 0.973 20 5 BCBDRO CN(CC[NH2+]CC[N+](=O)[O-])CC(F)(F)F ZINC000905109222 637615354 /nfs/dbraw/zinc/61/53/54/637615354.db2.gz JOTPEZKPORZZSK-UHFFFAOYSA-N 1 0 229.202 0.347 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOC[C@@H]1CCCO1 ZINC000905120904 637627507 /nfs/dbraw/zinc/62/75/07/637627507.db2.gz IESLVZFCMNVCQR-VIFPVBQESA-N 1 0 218.253 0.048 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CSCCS1 ZINC000905159061 637639418 /nfs/dbraw/zinc/63/94/18/637639418.db2.gz IRYVFRMYIUZTEQ-ZETCQYMHSA-N 1 0 222.335 0.701 20 5 BCBDRO C[C@@H](NCC[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000905132474 637644755 /nfs/dbraw/zinc/64/47/55/637644755.db2.gz MGRLSCXPCNZGEI-SECBINFHSA-N 1 0 217.313 0.829 20 5 BCBDRO C[C@H]1C[C@H](NCC[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000905160975 637672911 /nfs/dbraw/zinc/67/29/11/637672911.db2.gz RGQODTGAZXLTDB-IUCAKERBSA-N 1 0 213.281 0.478 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(Cl)cn1 ZINC000905164971 637676204 /nfs/dbraw/zinc/67/62/04/637676204.db2.gz BZTIXNHFRRCMMN-UHFFFAOYSA-N 1 0 245.666 0.980 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000905169929 637679318 /nfs/dbraw/zinc/67/93/18/637679318.db2.gz PLPJTOIKVFODLA-IVZWLZJFSA-N 1 0 214.265 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000905176107 637685087 /nfs/dbraw/zinc/68/50/87/637685087.db2.gz KQOUPPNXBRZOBN-UWVGGRQHSA-N 1 0 246.332 0.907 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000905229354 637690291 /nfs/dbraw/zinc/69/02/91/637690291.db2.gz BFYOFWFTZNKHBC-NSHDSACASA-N 1 0 227.308 0.870 20 5 BCBDRO CCCC[N@H+](C)C[C@H](C)NCC[N+](=O)[O-] ZINC000905263166 637717299 /nfs/dbraw/zinc/71/72/99/637717299.db2.gz ZWMLMUBBDSJEEM-JTQLQIEISA-N 1 0 217.313 0.973 20 5 BCBDRO COCC1(C[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000905264819 637717905 /nfs/dbraw/zinc/71/79/05/637717905.db2.gz ZFYHYGXRUBGEBR-UHFFFAOYSA-N 1 0 232.280 0.296 20 5 BCBDRO CC1(C)CC[C@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905234069 637720561 /nfs/dbraw/zinc/72/05/61/637720561.db2.gz YECVSHGHRWWSGC-MRVPVSSYSA-N 1 0 202.254 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(CO)cc1 ZINC000905351483 637770648 /nfs/dbraw/zinc/77/06/48/637770648.db2.gz SUQXKBFWZZAPFZ-UHFFFAOYSA-N 1 0 210.233 0.545 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)c1ccccc1 ZINC000905351503 637770925 /nfs/dbraw/zinc/77/09/25/637770925.db2.gz TZJLGAKUHXQMLI-NSHDSACASA-N 1 0 224.260 0.629 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000905352151 637771666 /nfs/dbraw/zinc/77/16/66/637771666.db2.gz DBQLIFJQVNNHTH-IUCAKERBSA-N 1 0 202.254 0.404 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccsc1 ZINC000905351691 637771800 /nfs/dbraw/zinc/77/18/00/637771800.db2.gz AZSLDBUSYCSOBC-MRVPVSSYSA-N 1 0 216.262 0.648 20 5 BCBDRO CC[C@H](C)C[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905358832 637777569 /nfs/dbraw/zinc/77/75/69/637777569.db2.gz QUPDIUNWGDLYDG-IUCAKERBSA-N 1 0 204.270 0.650 20 5 BCBDRO CCOC(=O)C1=CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905384997 637784083 /nfs/dbraw/zinc/78/40/83/637784083.db2.gz MWGYDMSBTFJJPO-SECBINFHSA-N 1 0 228.248 0.505 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCCOC1 ZINC000905388314 637786317 /nfs/dbraw/zinc/78/63/17/637786317.db2.gz ZUDQMARQZNCJEV-SECBINFHSA-N 1 0 202.254 0.669 20 5 BCBDRO CCC(CC)(CO)C[NH2+]CC[N+](=O)[O-] ZINC000905365718 637787712 /nfs/dbraw/zinc/78/77/12/637787712.db2.gz DTLCGRHCNWAWKS-UHFFFAOYSA-N 1 0 204.270 0.651 20 5 BCBDRO CC[C@@H](C[C@H](C)CO)[NH2+]CC[N+](=O)[O-] ZINC000905362901 637788148 /nfs/dbraw/zinc/78/81/48/637788148.db2.gz BJYUEJLVLPRLQV-IUCAKERBSA-N 1 0 204.270 0.650 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000905368420 637789692 /nfs/dbraw/zinc/78/96/92/637789692.db2.gz QOGUAJVGNYQDOZ-SNVBAGLBSA-N 1 0 242.250 0.768 20 5 BCBDRO O=[N+]([O-])CCNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000905397318 637794922 /nfs/dbraw/zinc/79/49/22/637794922.db2.gz VWEUDUPYQIYJOT-NSHDSACASA-N 1 0 227.308 0.870 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000905476373 637817540 /nfs/dbraw/zinc/81/75/40/637817540.db2.gz ZAPSFPCDUIEOHT-NSHDSACASA-N 1 0 242.250 0.595 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000905620712 637860372 /nfs/dbraw/zinc/86/03/72/637860372.db2.gz VIUNHKJQZWTYSI-NSHDSACASA-N 1 0 243.307 0.106 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000905647870 637882254 /nfs/dbraw/zinc/88/22/54/637882254.db2.gz JEUKBNSRQYXPPE-ZJUUUORDSA-N 1 0 214.265 0.810 20 5 BCBDRO C[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971883 637985539 /nfs/dbraw/zinc/98/55/39/637985539.db2.gz DNEGIIJBUOQSEN-SCZZXKLOSA-N 1 0 240.263 0.246 20 5 BCBDRO O=[N+]([O-])c1ncn(CCC[NH2+]C2CC2)n1 ZINC000042410443 639370908 /nfs/dbraw/zinc/37/09/08/639370908.db2.gz FDQRPMFZSLYZRS-UHFFFAOYSA-N 1 0 211.225 0.328 20 5 BCBDRO C[C@H](CO)[N@H+](CC[N+](=O)[O-])CC1CCC1 ZINC000930292790 639677539 /nfs/dbraw/zinc/67/75/39/639677539.db2.gz JSJITCAPERVHQZ-SECBINFHSA-N 1 0 216.281 0.746 20 5 BCBDRO CC[N@@H+]1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930452498 639755749 /nfs/dbraw/zinc/75/57/49/639755749.db2.gz LXQQUZAYOGYMJP-SECBINFHSA-N 1 0 201.270 0.289 20 5 BCBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC[N+](=O)[O-] ZINC000930459139 639757536 /nfs/dbraw/zinc/75/75/36/639757536.db2.gz ZWTIJGPWPMMSGM-QWRGUYRKSA-N 1 0 227.308 0.822 20 5 BCBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC[N+](=O)[O-] ZINC000930454637 639758403 /nfs/dbraw/zinc/75/84/03/639758403.db2.gz HQCKIGDUZLELFM-WDEREUQCSA-N 1 0 243.307 0.058 20 5 BCBDRO CCC[C@]1([NH2+]CC[N+](=O)[O-])CCOC1 ZINC000930462190 639764148 /nfs/dbraw/zinc/76/41/48/639764148.db2.gz XBCZIEPWKVSHGJ-VIFPVBQESA-N 1 0 202.254 0.812 20 5 BCBDRO Cc1c(C[NH2+]CCO)cccc1[N+](=O)[O-] ZINC000035648925 639797327 /nfs/dbraw/zinc/79/73/27/639797327.db2.gz JILLYPMWAQOIGY-UHFFFAOYSA-N 1 0 210.233 0.985 20 5 BCBDRO CC1(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000930626956 639829765 /nfs/dbraw/zinc/82/97/65/639829765.db2.gz NQTULKJBSWFGDV-HLTSFMKQSA-N 1 0 214.265 0.666 20 5 BCBDRO CC[C@H]1C[N@H+](CC)CCN1CC[N+](=O)[O-] ZINC000930653778 639847042 /nfs/dbraw/zinc/84/70/42/639847042.db2.gz ZNLRBNREYSWVFH-JTQLQIEISA-N 1 0 215.297 0.679 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000930866041 639959055 /nfs/dbraw/zinc/95/90/55/639959055.db2.gz HWGKKRREUIASBQ-SSDOTTSWSA-N 1 0 206.192 0.994 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000931059924 640048780 /nfs/dbraw/zinc/04/87/80/640048780.db2.gz PIDGWSGGUVXJPU-DTWKUNHWSA-N 1 0 200.238 0.231 20 5 BCBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@]1(C)CO ZINC000931065043 640054542 /nfs/dbraw/zinc/05/45/42/640054542.db2.gz DZFSHNCPGBYFJR-DTWKUNHWSA-N 1 0 202.254 0.213 20 5 BCBDRO C[NH+](C)CCC[C@H]1CN(CC[N+](=O)[O-])CCO1 ZINC000931076932 640060070 /nfs/dbraw/zinc/06/00/70/640060070.db2.gz ZJCFSBKVIOFACA-NSHDSACASA-N 1 0 245.323 0.306 20 5 BCBDRO C[N@@H+]1C[C@@]2(C)CN(CC[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931311743 640146340 /nfs/dbraw/zinc/14/63/40/640146340.db2.gz MJSSNOHHVASAEF-PHIMTYICSA-N 1 0 227.308 0.537 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000931504648 640235715 /nfs/dbraw/zinc/23/57/15/640235715.db2.gz JJHOAWUFGPDXDM-AXFHLTTASA-N 1 0 228.292 0.889 20 5 BCBDRO CC[C@@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000931766553 640358897 /nfs/dbraw/zinc/35/88/97/640358897.db2.gz CUNPIRKVBKGGPE-QMMMGPOBSA-N 1 0 228.252 0.152 20 5 BCBDRO CC[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000931767522 640359966 /nfs/dbraw/zinc/35/99/66/640359966.db2.gz LLKXPUFYCWBXEH-MRVPVSSYSA-N 1 0 228.252 0.152 20 5 BCBDRO Cn1nccc1[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000932261993 640463593 /nfs/dbraw/zinc/46/35/93/640463593.db2.gz MFVFHKWHFFUXSP-JTQLQIEISA-N 1 0 224.264 0.834 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](CCO)C1CCCC1 ZINC000934015146 640808004 /nfs/dbraw/zinc/80/80/04/640808004.db2.gz NHJFGGISYIWICC-SNVBAGLBSA-N 1 0 216.281 0.794 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](CCO)C1CCCC1 ZINC000934015145 640808658 /nfs/dbraw/zinc/80/86/58/640808658.db2.gz NHJFGGISYIWICC-JTQLQIEISA-N 1 0 216.281 0.794 20 5 BCBDRO CCO[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929678206 641393554 /nfs/dbraw/zinc/39/35/54/641393554.db2.gz HLDGWYJPNGUQLP-VIFPVBQESA-N 1 0 202.254 0.764 20 5 BCBDRO C[N@@H+]1CCC[C@@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000916558822 641947007 /nfs/dbraw/zinc/94/70/07/641947007.db2.gz QJSDLDUOLALQHB-MRVPVSSYSA-N 1 0 210.237 0.886 20 5 BCBDRO C[N@@H+]1CCC[C@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000916558823 641947817 /nfs/dbraw/zinc/94/78/17/641947817.db2.gz QJSDLDUOLALQHB-QMMMGPOBSA-N 1 0 210.237 0.886 20 5 BCBDRO C[N@@H+]1CCC[C@H]1Cn1nccc1[N+](=O)[O-] ZINC000916723332 641970923 /nfs/dbraw/zinc/97/09/23/641970923.db2.gz REVAURBPWXGXDN-QMMMGPOBSA-N 1 0 210.237 0.886 20 5 BCBDRO C[N@@H+]1CCC[C@@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918387928 642196536 /nfs/dbraw/zinc/19/65/36/642196536.db2.gz USPAJLHWXHJZFN-MRVPVSSYSA-N 1 0 210.237 0.886 20 5 BCBDRO CN(Cc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000085256941 643703174 /nfs/dbraw/zinc/70/31/74/643703174.db2.gz ISTVKVLAGYBMQI-UHFFFAOYSA-N 1 0 221.260 0.998 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H](CCO)C1 ZINC000929529361 646174812 /nfs/dbraw/zinc/17/48/12/646174812.db2.gz SEJPNEXIKBAEKJ-VIFPVBQESA-N 1 0 202.254 0.358 20 5 BCBDRO C[NH+](C)C[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929637698 646216337 /nfs/dbraw/zinc/21/63/37/646216337.db2.gz MXDPRZZVWMLLTG-VIFPVBQESA-N 1 0 201.270 0.147 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000929727084 646277172 /nfs/dbraw/zinc/27/71/72/646277172.db2.gz XHGSHSWCHGYBPE-NSHDSACASA-N 1 0 243.307 0.060 20 5 BCBDRO CCOC[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929780936 646307979 /nfs/dbraw/zinc/30/79/79/646307979.db2.gz SJSYKMNVKRPOEU-VIFPVBQESA-N 1 0 202.254 0.622 20 5 BCBDRO C[C@H]1C[C@@H](N(C)CC[N+](=O)[O-])CC[N@@H+]1C ZINC000929783048 646312940 /nfs/dbraw/zinc/31/29/40/646312940.db2.gz PLKHTNJCRIRBLH-UWVGGRQHSA-N 1 0 215.297 0.678 20 5 BCBDRO CC(C)[NH2+][C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929969249 646381119 /nfs/dbraw/zinc/38/11/19/646381119.db2.gz JKJXSJGASOXEKI-SNVBAGLBSA-N 1 0 215.297 0.726 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1(CO)CCCCC1 ZINC000930055391 646412273 /nfs/dbraw/zinc/41/22/73/646412273.db2.gz NWFQUHDWONBNPS-UHFFFAOYSA-N 1 0 202.254 0.548 20 5 BCBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC[N+](=O)[O-] ZINC000930104638 646435634 /nfs/dbraw/zinc/43/56/34/646435634.db2.gz CQJQQCRSELSTOL-MWLCHTKSSA-N 1 0 244.291 0.975 20 5 BCBDRO C[C@@]1(CCCO)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930157524 646451985 /nfs/dbraw/zinc/45/19/85/646451985.db2.gz GAPHMZACISOCFX-JTQLQIEISA-N 1 0 216.281 0.890 20 5 BCBDRO [NH3+][C@@H]1CC[C@H](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000309124204 711591809 /nfs/dbraw/zinc/59/18/09/711591809.db2.gz VOWIYCZCGDUAFS-JGVFFNPUSA-N 1 0 210.237 0.919 20 5 BCBDRO CC[C@H]1C[N@H+](CC[N+](=O)[O-])CCCO1 ZINC000930316413 712712189 /nfs/dbraw/zinc/71/21/89/712712189.db2.gz JBFAEYQDJDRTQX-VIFPVBQESA-N 1 0 202.254 0.764 20 5 BCBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000715094756 712508565 /nfs/dbraw/zinc/50/85/65/712508565.db2.gz IEVHZHKNKTWAAM-ONGXEEELSA-N 1 0 249.270 0.806 20 5 BCBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000719571360 712811054 /nfs/dbraw/zinc/81/10/54/712811054.db2.gz GTFKTSGVCGFRDA-APPZFPTMSA-N 1 0 237.263 0.889 20 5 BCBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH3+])C1 ZINC000052813054 178273882 /nfs/dbraw/zinc/27/38/82/178273882.db2.gz OVDXGQAGYLPBFY-MRVPVSSYSA-N 1 0 222.248 0.836 20 5 BCBDRO Cc1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000006071266 178391783 /nfs/dbraw/zinc/39/17/83/178391783.db2.gz KRXLHSGWNOLBTF-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO C[C@@H](CO)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000282785217 398318272 /nfs/dbraw/zinc/31/82/72/398318272.db2.gz NABHJMCVOFONMG-QMMMGPOBSA-N 1 0 228.252 0.104 20 5 BCBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000127876339 398332735 /nfs/dbraw/zinc/33/27/35/398332735.db2.gz VBNAZIXSDQZZAR-SNVBAGLBSA-N 1 0 249.270 0.995 20 5 BCBDRO O=[N+]([O-])c1ncn(CC2CC[NH2+]CC2)n1 ZINC000043497896 343091073 /nfs/dbraw/zinc/09/10/73/343091073.db2.gz GEBCHAOQVHGRFB-UHFFFAOYSA-N 1 0 211.225 0.186 20 5 BCBDRO O=[N+]([O-])c1cnccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000112335760 343129144 /nfs/dbraw/zinc/12/91/44/343129144.db2.gz VVIQMWDMPWDXGF-DTORHVGOSA-N 1 0 234.259 0.645 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C2)n1 ZINC000088036517 136284041 /nfs/dbraw/zinc/28/40/41/136284041.db2.gz JPCOWOMREZNSHW-MRVPVSSYSA-N 1 0 222.248 0.836 20 5 BCBDRO C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000310308859 343423786 /nfs/dbraw/zinc/42/37/86/343423786.db2.gz DGEXGBRLYCTEKP-ZETCQYMHSA-N 1 0 239.279 0.934 20 5 BCBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000380116208 343680232 /nfs/dbraw/zinc/68/02/32/343680232.db2.gz AWEUZQGDIKFVAS-VIFPVBQESA-N 1 0 242.279 0.492 20 5 BCBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000380116207 343679987 /nfs/dbraw/zinc/67/99/87/343679987.db2.gz AWEUZQGDIKFVAS-SECBINFHSA-N 1 0 242.279 0.492 20 5 BCBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]C1 ZINC000230734098 346997077 /nfs/dbraw/zinc/99/70/77/346997077.db2.gz JISRHQOULPLDBS-SNVBAGLBSA-N 1 0 239.231 0.670 20 5 BCBDRO CN(CC[NH+](C)C)c1cccnc1[N+](=O)[O-] ZINC000610469408 343963833 /nfs/dbraw/zinc/96/38/33/343963833.db2.gz FKBJHSLUNGVJKN-UHFFFAOYSA-N 1 0 224.264 0.988 20 5 BCBDRO [NH3+]CCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000158119695 344545689 /nfs/dbraw/zinc/54/56/89/344545689.db2.gz PWHNSFUMLOKGKN-UHFFFAOYSA-N 1 0 247.258 0.736 20 5 BCBDRO C[C@@H]1C[C@@H]([NH3+])CN1CCn1cc([N+](=O)[O-])cn1 ZINC000601329075 345772103 /nfs/dbraw/zinc/77/21/03/345772103.db2.gz DRLAAOQNQGJCCO-RKDXNWHRSA-N 1 0 239.279 0.213 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000088147704 178927235 /nfs/dbraw/zinc/92/72/35/178927235.db2.gz BHVNOBOUXWVVGW-VIFPVBQESA-N 1 0 249.270 0.995 20 5 BCBDRO C[NH+](C)C[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000589102063 346664991 /nfs/dbraw/zinc/66/49/91/346664991.db2.gz YARFJISACXTXPG-SECBINFHSA-N 1 0 239.275 0.929 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[NH3+] ZINC000054417579 179206441 /nfs/dbraw/zinc/20/64/41/179206441.db2.gz IYAVJAJYBPEKAQ-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc1 ZINC000591435835 347659825 /nfs/dbraw/zinc/65/98/25/347659825.db2.gz SXGUBGOOGQFYDQ-DTORHVGOSA-N 1 0 249.274 0.716 20 5 BCBDRO Cc1cc(=O)n(C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592162344 347746084 /nfs/dbraw/zinc/74/60/84/347746084.db2.gz XJQPPYCTLSKKEJ-SECBINFHSA-N 1 0 237.259 0.674 20 5 BCBDRO CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[NH2+]C1 ZINC000592472607 347790642 /nfs/dbraw/zinc/79/06/42/347790642.db2.gz DXFSPXAPAVZKPH-MRVPVSSYSA-N 1 0 239.279 0.122 20 5 BCBDRO CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[NH2+]C1 ZINC000592472608 347790773 /nfs/dbraw/zinc/79/07/73/347790773.db2.gz DXFSPXAPAVZKPH-QMMMGPOBSA-N 1 0 239.279 0.122 20 5 BCBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593670130 347925086 /nfs/dbraw/zinc/92/50/86/347925086.db2.gz LWMSLSISKKBEJG-AOOOYVTPSA-N 1 0 249.270 0.948 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCNC1=O ZINC000594961766 348151435 /nfs/dbraw/zinc/15/14/35/348151435.db2.gz HODCPFLMTZMQKB-NSHDSACASA-N 1 0 249.270 0.881 20 5 BCBDRO Cc1noc(C[NH2+][C@@H](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000595430271 348248414 /nfs/dbraw/zinc/24/84/14/348248414.db2.gz UFMKVKTYJQTLDZ-RQJHMYQMSA-N 1 0 243.263 0.998 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000595984961 348418940 /nfs/dbraw/zinc/41/89/40/348418940.db2.gz YZGUSKXJKKHGAL-SSDOTTSWSA-N 1 0 240.263 0.271 20 5 BCBDRO [NH3+][C@H]1C[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000595924957 348402433 /nfs/dbraw/zinc/40/24/33/348402433.db2.gz KPUUCHUSFFBAQF-MGCOHNPYSA-N 1 0 249.270 0.948 20 5 BCBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])nc1 ZINC000596242970 348485385 /nfs/dbraw/zinc/48/53/85/348485385.db2.gz HPPWBEFRMAJCPQ-SECBINFHSA-N 1 0 240.263 0.324 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1N1CC(C[NH+](C)C)C1 ZINC000596247606 348471898 /nfs/dbraw/zinc/47/18/98/348471898.db2.gz RZMHOBOVAWUQFV-UHFFFAOYSA-N 1 0 239.279 0.326 20 5 BCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]21 ZINC000599083372 349096478 /nfs/dbraw/zinc/09/64/78/349096478.db2.gz KGUAODQBTZZYET-JZYVYDRUSA-N 1 0 248.286 0.986 20 5 BCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH3+] ZINC000237585702 180175434 /nfs/dbraw/zinc/17/54/34/180175434.db2.gz COYKTSQKNFFUID-UHFFFAOYSA-N 1 0 238.247 0.377 20 5 BCBDRO C[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159605263 350933446 /nfs/dbraw/zinc/93/34/46/350933446.db2.gz DGYNVXZXUNFEIQ-MRVPVSSYSA-N 1 0 249.270 0.827 20 5 BCBDRO Cn1c(C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000344005657 351007772 /nfs/dbraw/zinc/00/77/72/351007772.db2.gz MPNHSCIOSJWWDK-UHFFFAOYSA-N 1 0 240.263 0.225 20 5 BCBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000344419381 351124120 /nfs/dbraw/zinc/12/41/20/351124120.db2.gz NAQJKNNCRJPVRR-SNVBAGLBSA-N 1 0 240.263 0.766 20 5 BCBDRO C[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090295602 363032600 /nfs/dbraw/zinc/03/26/00/363032600.db2.gz LZMUUUTXFCTIID-UHFFFAOYSA-N 1 0 247.258 0.954 20 5 BCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1C[NH2+]C1 ZINC000090289215 363032977 /nfs/dbraw/zinc/03/29/77/363032977.db2.gz MVDUJROXKMEYLS-UHFFFAOYSA-N 1 0 236.231 0.688 20 5 BCBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322841 363038536 /nfs/dbraw/zinc/03/85/36/363038536.db2.gz WWANVFAAXDVKNP-UWVGGRQHSA-N 1 0 248.286 0.954 20 5 BCBDRO Cn1c(C(=O)N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000050228762 180613737 /nfs/dbraw/zinc/61/37/37/180613737.db2.gz REUSFPZLOPXQKI-ZETCQYMHSA-N 1 0 238.247 0.107 20 5 BCBDRO CN(CC[NH3+])C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000054417543 363097287 /nfs/dbraw/zinc/09/72/87/363097287.db2.gz DSCMXYSIZKDDGU-UHFFFAOYSA-N 1 0 237.259 0.554 20 5 BCBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000053253207 187781923 /nfs/dbraw/zinc/78/19/23/187781923.db2.gz BMTOOZJIEAALOH-ZETCQYMHSA-N 1 0 238.247 0.405 20 5 BCBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000053253768 187782261 /nfs/dbraw/zinc/78/22/61/187782261.db2.gz ADGQOYBOZKJSHC-ZETCQYMHSA-N 1 0 239.231 0.670 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000074533061 356605985 /nfs/dbraw/zinc/60/59/85/356605985.db2.gz JDHLQRRJIYOLDZ-ZETCQYMHSA-N 1 0 223.232 0.672 20 5 BCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[NH2+]1 ZINC000384747382 356740024 /nfs/dbraw/zinc/74/00/24/356740024.db2.gz KULLHTBOQGYPJK-SNVBAGLBSA-N 1 0 249.270 0.915 20 5 BCBDRO [NH3+][C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000346032760 356957621 /nfs/dbraw/zinc/95/76/21/356957621.db2.gz BVYBGWZKHCQJNK-SECBINFHSA-N 1 0 239.279 0.214 20 5 BCBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000037988060 357021110 /nfs/dbraw/zinc/02/11/10/357021110.db2.gz SLFLVAXJWDMTSY-SSDOTTSWSA-N 1 0 227.268 0.690 20 5 BCBDRO C[N@@H+]1CC[C@@H](Cn2cnc([N+](=O)[O-])c2)C1 ZINC000191063277 357746498 /nfs/dbraw/zinc/74/64/98/357746498.db2.gz GNQHMYCNHACAPL-MRVPVSSYSA-N 1 0 210.237 0.743 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn[nH]c2)c1 ZINC000610890157 358227309 /nfs/dbraw/zinc/22/73/09/358227309.db2.gz LFWLBCJETVSPNN-UHFFFAOYSA-N 1 0 236.235 0.304 20 5 BCBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000085257216 134268633 /nfs/dbraw/zinc/26/86/33/134268633.db2.gz OYSRZWYEPCITNU-UHFFFAOYSA-N 1 0 221.260 0.998 20 5 BCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000580422350 359536571 /nfs/dbraw/zinc/53/65/71/359536571.db2.gz ZVPXAQNTZOMDJT-MUWHJKNJSA-N 1 0 240.238 0.912 20 5 BCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000580422351 359536783 /nfs/dbraw/zinc/53/67/83/359536783.db2.gz ZVPXAQNTZOMDJT-RCOVLWMOSA-N 1 0 240.238 0.912 20 5 BCBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000385858586 360426334 /nfs/dbraw/zinc/42/63/34/360426334.db2.gz RNNSACFPRVCJRK-RQJHMYQMSA-N 1 0 240.288 0.849 20 5 BCBDRO O=C1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N1 ZINC000079926629 370704786 /nfs/dbraw/zinc/70/47/86/370704786.db2.gz GGDVFXROTSLHOU-JTQLQIEISA-N 1 0 249.270 0.963 20 5 BCBDRO [NH3+]CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015915 181367753 /nfs/dbraw/zinc/36/77/53/181367753.db2.gz KEHPUOWQBLZDKM-UHFFFAOYSA-N 1 0 223.232 0.560 20 5 BCBDRO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000051355036 181382022 /nfs/dbraw/zinc/38/20/22/181382022.db2.gz IBVPVUHBPYTBAU-UHFFFAOYSA-N 1 0 229.261 0.735 20 5 BCBDRO [NH3+]CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135213433 181382610 /nfs/dbraw/zinc/38/26/10/181382610.db2.gz AAWOSTPAUYOFDN-UHFFFAOYSA-N 1 0 241.222 0.813 20 5 BCBDRO C[C@@H](O)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000574565838 365090586 /nfs/dbraw/zinc/09/05/86/365090586.db2.gz FCAKDVJRSWRICQ-JGVFFNPUSA-N 1 0 228.252 0.150 20 5 BCBDRO C[NH2+]CCCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000380692673 367281121 /nfs/dbraw/zinc/28/11/21/367281121.db2.gz JBAVRBZOPWZPJQ-UHFFFAOYSA-N 1 0 225.248 0.674 20 5 BCBDRO CCN(CC[NH3+])CCn1ccc([N+](=O)[O-])n1 ZINC000600722186 371698971 /nfs/dbraw/zinc/69/89/71/371698971.db2.gz ZCUVMQBHQXOUBR-UHFFFAOYSA-N 1 0 227.268 0.072 20 5 BCBDRO C[C@H]1C[C@@H]([NH3+])CN1CCn1ccc([N+](=O)[O-])n1 ZINC000601329635 371748178 /nfs/dbraw/zinc/74/81/78/371748178.db2.gz LMDUOXDLFYHJDO-DTWKUNHWSA-N 1 0 239.279 0.213 20 5 BCBDRO O=C1NCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602716943 371832841 /nfs/dbraw/zinc/83/28/41/371832841.db2.gz VWKNJERNXHPDGJ-NSHDSACASA-N 1 0 249.270 0.615 20 5 BCBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602554347 371820175 /nfs/dbraw/zinc/82/01/75/371820175.db2.gz HARXOXTULQFQCL-JGVFFNPUSA-N 1 0 242.279 0.435 20 5 BCBDRO C[NH2+]CCCN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603428326 371894057 /nfs/dbraw/zinc/89/40/57/371894057.db2.gz HUWGRDTUTDENLU-UHFFFAOYSA-N 1 0 241.295 0.370 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429034 371895093 /nfs/dbraw/zinc/89/50/93/371895093.db2.gz LFNLULMHWFUWKW-MRVPVSSYSA-N 1 0 239.279 0.122 20 5 BCBDRO CN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000603429310 371895311 /nfs/dbraw/zinc/89/53/11/371895311.db2.gz NDAJHDUTSXTGSS-VIFPVBQESA-N 1 0 239.279 0.122 20 5 BCBDRO CN(Cc1cn(C)nc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000603430845 371895536 /nfs/dbraw/zinc/89/55/36/371895536.db2.gz VGVSGKOJJRKZGY-UHFFFAOYSA-N 1 0 239.279 0.250 20 5 BCBDRO C[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676251 373587442 /nfs/dbraw/zinc/58/74/42/373587442.db2.gz BVBTZWSINCTZNT-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053253184 182237814 /nfs/dbraw/zinc/23/78/14/182237814.db2.gz JCEUMWFAXHMSSE-SSDOTTSWSA-N 1 0 238.247 0.405 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH3+] ZINC000111303028 383849968 /nfs/dbraw/zinc/84/99/68/383849968.db2.gz JBPCRHALDYLQLY-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO C[NH+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000156936463 383878317 /nfs/dbraw/zinc/87/83/17/383878317.db2.gz DHMDNIVPJDTDPM-UHFFFAOYSA-N 1 0 210.237 0.963 20 5 BCBDRO C[C@@H](O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000175263356 383886622 /nfs/dbraw/zinc/88/66/22/383886622.db2.gz LKFPZKUMKWBAHF-MRVPVSSYSA-N 1 0 228.252 0.104 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000050228589 383975629 /nfs/dbraw/zinc/97/56/29/383975629.db2.gz RYFOQECIOJZLMB-ZCFIWIBFSA-N 1 0 225.204 0.361 20 5 BCBDRO [NH3+][C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000050228150 383975913 /nfs/dbraw/zinc/97/59/13/383975913.db2.gz HNHNVQCMXWVBCR-SSDOTTSWSA-N 1 0 241.272 0.830 20 5 BCBDRO Cn1c(C(=O)N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000050228763 383976657 /nfs/dbraw/zinc/97/66/57/383976657.db2.gz REUSFPZLOPXQKI-SSDOTTSWSA-N 1 0 238.247 0.107 20 5 BCBDRO Cn1c(C(=O)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000310249206 384068122 /nfs/dbraw/zinc/06/81/22/384068122.db2.gz NQAIDMUKDLYVFX-UHFFFAOYSA-N 1 0 240.263 0.402 20 5 BCBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340223893 384138338 /nfs/dbraw/zinc/13/83/38/384138338.db2.gz UGQKHYSCPGOAER-LLVKDONJSA-N 1 0 249.270 0.915 20 5 BCBDRO CCc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000158728816 384142792 /nfs/dbraw/zinc/14/27/92/384142792.db2.gz LMLDLEJOHCYIAL-UHFFFAOYSA-N 1 0 237.259 0.846 20 5 BCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285624992 384172866 /nfs/dbraw/zinc/17/28/66/384172866.db2.gz WUJWFEOYLXCCPA-UHFFFAOYSA-N 1 0 240.263 0.248 20 5 BCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000610447938 384169605 /nfs/dbraw/zinc/16/96/05/384169605.db2.gz WWPKDJWAMJAASS-UHFFFAOYSA-N 1 0 242.279 0.494 20 5 BCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173531905 384227616 /nfs/dbraw/zinc/22/76/16/384227616.db2.gz WFAQZVYJAPPOHN-JTQLQIEISA-N 1 0 240.263 0.246 20 5 BCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000148778466 384374541 /nfs/dbraw/zinc/37/45/41/384374541.db2.gz QPLOKAKZLYBUJP-SSDOTTSWSA-N 1 0 240.263 0.508 20 5 BCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000148798099 384396356 /nfs/dbraw/zinc/39/63/56/384396356.db2.gz RKKAAOPLYATZHN-SSDOTTSWSA-N 1 0 241.247 0.773 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000141931524 384402415 /nfs/dbraw/zinc/40/24/15/384402415.db2.gz CZSKAXPPCSFCCW-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@@H](O)CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176266789 384509551 /nfs/dbraw/zinc/50/95/51/384509551.db2.gz RFZVEDUYZCWIGU-SECBINFHSA-N 1 0 242.279 0.494 20 5 BCBDRO CC(C)[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000176364906 384527620 /nfs/dbraw/zinc/52/76/20/384527620.db2.gz IWIGIIMEXAFCMG-UHFFFAOYSA-N 1 0 242.279 0.494 20 5 BCBDRO Nc1c([N+](=O)[O-])cnn1CC[C@H]1CC[NH2+]C1 ZINC000572834768 384942859 /nfs/dbraw/zinc/94/28/59/384942859.db2.gz ZVQASXAHHQJYEG-SSDOTTSWSA-N 1 0 225.252 0.373 20 5 BCBDRO C[NH+](C)C1(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000397840587 385723710 /nfs/dbraw/zinc/72/37/10/385723710.db2.gz GNKBFDFKBDOBCN-UHFFFAOYSA-N 1 0 236.275 0.918 20 5 BCBDRO COC[C@@](C)([NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000265078998 385929458 /nfs/dbraw/zinc/92/94/58/385929458.db2.gz ZPUGCCUAXOUZGU-VIFPVBQESA-N 1 0 243.267 0.104 20 5 BCBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000129202692 386065048 /nfs/dbraw/zinc/06/50/48/386065048.db2.gz AYWBFIFDXFKDMC-MRVPVSSYSA-N 1 0 238.247 0.390 20 5 BCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000266406685 386495529 /nfs/dbraw/zinc/49/55/29/386495529.db2.gz FXRZWLOUUFLMDZ-JTQLQIEISA-N 1 0 240.263 0.248 20 5 BCBDRO Cc1cc(C(=O)N(C)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000137109734 386530862 /nfs/dbraw/zinc/53/08/62/386530862.db2.gz SFSKIGCRAODNSP-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO C[C@@H](O)CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266920268 386694959 /nfs/dbraw/zinc/69/49/59/386694959.db2.gz IEYLMUUOVROIPH-SECBINFHSA-N 1 0 242.279 0.494 20 5 BCBDRO O=[N+]([O-])c1ncn(CC[C@@H]2CCC[NH2+]C2)n1 ZINC000051919960 386701423 /nfs/dbraw/zinc/70/14/23/386701423.db2.gz IVOXPRHQDVSELY-QMMMGPOBSA-N 1 0 225.252 0.576 20 5 BCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266922276 386719076 /nfs/dbraw/zinc/71/90/76/386719076.db2.gz IRDAMZYVEGNPLH-VIFPVBQESA-N 1 0 240.263 0.512 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000441608733 387325545 /nfs/dbraw/zinc/32/55/45/387325545.db2.gz CMRDLJKEEPPKBR-ZCFIWIBFSA-N 1 0 226.236 0.248 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)CO ZINC000347500284 387993264 /nfs/dbraw/zinc/99/32/64/387993264.db2.gz HOSSJMPGMGKVQA-NSHDSACASA-N 1 0 240.259 0.346 20 5 BCBDRO C[NH2+]CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592467425 388159591 /nfs/dbraw/zinc/15/95/91/388159591.db2.gz PWSUUTODOHORMY-UHFFFAOYSA-N 1 0 238.247 0.126 20 5 BCBDRO C[NH+](C)C1CN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193490058 388357175 /nfs/dbraw/zinc/35/71/75/388357175.db2.gz ZAYVTTWRPHAQCK-UHFFFAOYSA-N 1 0 236.275 0.927 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](CO)C2)c1 ZINC000304492548 388358815 /nfs/dbraw/zinc/35/88/15/388358815.db2.gz MHDJXPYFPWVLJE-VIFPVBQESA-N 1 0 240.263 0.106 20 5 BCBDRO CO[C@H](C)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000353200115 388368735 /nfs/dbraw/zinc/36/87/35/388368735.db2.gz AVGVAPMDMULEBZ-SECBINFHSA-N 1 0 242.279 0.758 20 5 BCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH3+] ZINC000194872591 388453332 /nfs/dbraw/zinc/45/33/32/388453332.db2.gz BKXIQCOOCORSBT-ZCFIWIBFSA-N 1 0 238.247 0.375 20 5 BCBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423588747 388693954 /nfs/dbraw/zinc/69/39/54/388693954.db2.gz BEUDURUGISZBKL-ZCFIWIBFSA-N 1 0 241.251 0.046 20 5 BCBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374478665 388715334 /nfs/dbraw/zinc/71/53/34/388715334.db2.gz CSDLMDARRWQHQM-XFWSIPNHSA-N 1 0 239.275 0.005 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1C[NH3+] ZINC000430546144 388728180 /nfs/dbraw/zinc/72/81/80/388728180.db2.gz JCGGMLNBMYFXAK-MRVPVSSYSA-N 1 0 239.279 0.251 20 5 BCBDRO C[NH2+][C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430647049 388729825 /nfs/dbraw/zinc/72/98/25/388729825.db2.gz XESKVIGEKSADGC-VIFPVBQESA-N 1 0 239.279 0.085 20 5 BCBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[NH2+]1 ZINC000430928293 388730059 /nfs/dbraw/zinc/73/00/59/388730059.db2.gz SRVQVQYVQOJPAT-QMMMGPOBSA-N 1 0 239.279 0.122 20 5 BCBDRO C[C@@H](Cn1cc([N+](=O)[O-])ccc1=O)[NH+](C)C ZINC000330893536 388762182 /nfs/dbraw/zinc/76/21/82/388762182.db2.gz YVQZLMOGCJHODK-QMMMGPOBSA-N 1 0 225.248 0.707 20 5 BCBDRO C[C@H](CO)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000284776182 388831835 /nfs/dbraw/zinc/83/18/35/388831835.db2.gz NABHJMCVOFONMG-MRVPVSSYSA-N 1 0 228.252 0.104 20 5 BCBDRO Cc1ccn(CC[NH+](C)C)c(=O)c1[N+](=O)[O-] ZINC000129696731 388866257 /nfs/dbraw/zinc/86/62/57/388866257.db2.gz HUCORZIVHYKVCI-UHFFFAOYSA-N 1 0 225.248 0.627 20 5 BCBDRO [NH3+]CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000051355049 133507404 /nfs/dbraw/zinc/50/74/04/133507404.db2.gz LYQXBYBDKSVIQI-UHFFFAOYSA-N 1 0 212.209 0.002 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCCC2)c1 ZINC000078387032 135122928 /nfs/dbraw/zinc/12/29/28/135122928.db2.gz KHMLDHDJKKOAIF-UHFFFAOYSA-N 1 0 210.237 0.887 20 5 BCBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000079617781 135341765 /nfs/dbraw/zinc/34/17/65/135341765.db2.gz WBWAZYLDIKFVDK-DTORHVGOSA-N 1 0 234.259 0.645 20 5 BCBDRO CN1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000263710183 135361810 /nfs/dbraw/zinc/36/18/10/135361810.db2.gz HWQXHXJUSFHZSM-JTQLQIEISA-N 1 0 249.270 0.915 20 5 BCBDRO C[NH2+][C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000054077011 322855177 /nfs/dbraw/zinc/85/51/77/322855177.db2.gz CUWJUKPZWZPJFI-QMMMGPOBSA-N 1 0 237.259 0.819 20 5 BCBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1 ZINC000110911229 397904561 /nfs/dbraw/zinc/90/45/61/397904561.db2.gz HMXKNAXIHNRPMY-SNVBAGLBSA-N 1 0 249.270 0.963 20 5 BCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC2)c1 ZINC000052209468 411400157 /nfs/dbraw/zinc/40/01/57/411400157.db2.gz ISKWWQHTQNIWCB-JTQLQIEISA-N 1 0 240.263 0.294 20 5 BCBDRO CC[NH2+]CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943189 170109688 /nfs/dbraw/zinc/10/96/88/170109688.db2.gz CVTMVEXQHLLCDL-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO CC[NH2+]CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000054263054 170115686 /nfs/dbraw/zinc/11/56/86/170115686.db2.gz RSZOBOPZBHRPQF-UHFFFAOYSA-N 1 0 243.288 0.996 20 5 BCBDRO CCc1nn(C)c(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000091561442 172039406 /nfs/dbraw/zinc/03/94/06/172039406.db2.gz CEURVERBEPMPJA-UHFFFAOYSA-N 1 0 241.295 0.864 20 5 BCBDRO C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230873037 173057018 /nfs/dbraw/zinc/05/70/18/173057018.db2.gz QMSUFCHWYGXGEG-QMMMGPOBSA-N 1 0 237.263 0.891 20 5 BCBDRO CN1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000299608883 173195419 /nfs/dbraw/zinc/19/54/19/173195419.db2.gz GGDWEGYXPZQSCP-SNVBAGLBSA-N 1 0 249.270 0.915 20 5 BCBDRO C[N@H+]1C[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]2C1 ZINC000278806782 173200289 /nfs/dbraw/zinc/20/02/89/173200289.db2.gz RSRQZFQLXZEGHY-AOOOYVTPSA-N 1 0 248.286 0.988 20 5 BCBDRO CNC(=O)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000274526565 173227256 /nfs/dbraw/zinc/22/72/56/173227256.db2.gz PMEPQNGNKNBFFG-UHFFFAOYSA-N 1 0 249.270 0.773 20 5 BCBDRO CNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037224642 173277810 /nfs/dbraw/zinc/27/78/10/173277810.db2.gz DFEXIEPQNFZIKV-QMMMGPOBSA-N 1 0 237.259 0.991 20 5 BCBDRO C[NH2+]CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766531 173331532 /nfs/dbraw/zinc/33/15/32/173331532.db2.gz WOOZAOBKWMTLDP-QMMMGPOBSA-N 1 0 237.259 0.991 20 5 BCBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000036280328 173349014 /nfs/dbraw/zinc/34/90/14/173349014.db2.gz AQVUWXKHTBAMNS-UHFFFAOYSA-N 1 0 240.263 0.273 20 5 BCBDRO C[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000054244428 173354907 /nfs/dbraw/zinc/35/49/07/173354907.db2.gz GAWNDVNUXRHWOX-UHFFFAOYSA-N 1 0 238.247 0.936 20 5 BCBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262063488 173355362 /nfs/dbraw/zinc/35/53/62/173355362.db2.gz IUQGYYRBLMMXID-UHFFFAOYSA-N 1 0 238.247 0.126 20 5 BCBDRO C[C@H]([NH2+]CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293905813 176850778 /nfs/dbraw/zinc/85/07/78/176850778.db2.gz WRMWHYGSDABVER-ZETCQYMHSA-N 1 0 225.248 0.820 20 5 BCBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC[N+](=O)[O-] ZINC000930029446 646402524 /nfs/dbraw/zinc/40/25/24/646402524.db2.gz VNNTZLDQYYSJCS-VIFPVBQESA-N 1 0 218.253 0.585 20 5 BCBDRO [NH3+]CCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000563078631 323087423 /nfs/dbraw/zinc/08/74/23/323087423.db2.gz AHTAQMQYRFCRND-UHFFFAOYSA-N 1 0 215.184 0.244 20 5 BCBDRO CC(C)(CC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000397241680 323093102 /nfs/dbraw/zinc/09/31/02/323093102.db2.gz RTMSVDBTGQRQBO-UHFFFAOYSA-N 1 0 240.263 0.780 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111301835 588741301 /nfs/dbraw/zinc/74/13/01/588741301.db2.gz JXSRQEZQJBDKPK-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000893938824 583253585 /nfs/dbraw/zinc/25/35/85/583253585.db2.gz GJWHIWBZXXRDEQ-SCZZXKLOSA-N 1 0 249.274 0.525 20 5 BCBDRO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893938821 583253695 /nfs/dbraw/zinc/25/36/95/583253695.db2.gz GJWHIWBZXXRDEQ-PSASIEDQSA-N 1 0 249.274 0.525 20 5 BCBDRO CNC(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899866701 584244097 /nfs/dbraw/zinc/24/40/97/584244097.db2.gz RHNPOYSSBMTJNL-UHFFFAOYSA-N 1 0 237.259 0.413 20 5 BCBDRO Cc1ccc([C@@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899870979 584244503 /nfs/dbraw/zinc/24/45/03/584244503.db2.gz PMDSRCQHLAURAD-NSHDSACASA-N 1 0 224.260 0.895 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCO[C@@H]1CC1(F)F ZINC000899890651 584245964 /nfs/dbraw/zinc/24/59/64/584245964.db2.gz BHILOHMQFYFWHN-ZCFIWIBFSA-N 1 0 210.180 0.277 20 5 BCBDRO COCC1(C2CC2)CN(CC[N+](=O)[O-])C1 ZINC000899894314 584248286 /nfs/dbraw/zinc/24/82/86/584248286.db2.gz XCUBBVFUHGEGHV-UHFFFAOYSA-N 1 0 214.265 0.622 20 5 BCBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839549998 585330385 /nfs/dbraw/zinc/33/03/85/585330385.db2.gz FKBPVNORVVXGCK-OPRDCNLKSA-N 1 0 241.291 0.108 20 5 BCBDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839558479 585330881 /nfs/dbraw/zinc/33/08/81/585330881.db2.gz BSIJCQMZPBXJDD-OPRDCNLKSA-N 1 0 241.291 0.110 20 5 BCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000839690474 585335308 /nfs/dbraw/zinc/33/53/08/585335308.db2.gz ILCKBTGJQZBWFX-OPRDCNLKSA-N 1 0 241.291 0.204 20 5 BCBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839727378 585338662 /nfs/dbraw/zinc/33/86/62/585338662.db2.gz AXPCHYVKZYIRMB-IVZWLZJFSA-N 1 0 241.291 0.252 20 5 BCBDRO C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839727621 585338865 /nfs/dbraw/zinc/33/88/65/585338865.db2.gz DOYPDBSKAVWHKH-NXEZZACHSA-N 1 0 241.291 0.204 20 5 BCBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774543 585341201 /nfs/dbraw/zinc/34/12/01/585341201.db2.gz BVNCABCRTHZFER-IVZWLZJFSA-N 1 0 243.307 0.497 20 5 BCBDRO O=c1ccn(CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000776433356 585698680 /nfs/dbraw/zinc/69/86/80/585698680.db2.gz RRFRHCSKKASEST-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO COC(=O)[C@@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000787728109 585915104 /nfs/dbraw/zinc/91/51/04/585915104.db2.gz BRWYHCMQTLESOZ-VIFPVBQESA-N 1 0 216.237 0.148 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000791051962 585972316 /nfs/dbraw/zinc/97/23/16/585972316.db2.gz ISOXNZQGYRACGP-IUCAKERBSA-N 1 0 232.305 0.469 20 5 BCBDRO C[NH+](C)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791051583 585972543 /nfs/dbraw/zinc/97/25/43/585972543.db2.gz FXHRSKUCDOYVEP-SECBINFHSA-N 1 0 201.270 0.289 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])CC1(O)CCCC1 ZINC000791053774 585973158 /nfs/dbraw/zinc/97/31/58/585973158.db2.gz GLMPXTDIMDDCSH-UHFFFAOYSA-N 1 0 202.254 0.500 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000791054242 585973439 /nfs/dbraw/zinc/97/34/39/585973439.db2.gz YXGUDCMFEINWQQ-UHFFFAOYSA-N 1 0 224.264 0.866 20 5 BCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000817496810 586808046 /nfs/dbraw/zinc/80/80/46/586808046.db2.gz VZJXCKBECSNUAC-OPRDCNLKSA-N 1 0 241.291 0.204 20 5 BCBDRO C[C@H](NCC[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817936051 586844658 /nfs/dbraw/zinc/84/46/58/586844658.db2.gz MOSHVXQSISQSGC-ZETCQYMHSA-N 1 0 224.264 0.786 20 5 BCBDRO C[C@H](NC1C[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817955479 586849931 /nfs/dbraw/zinc/84/99/31/586849931.db2.gz BUBDIAMVFWFXJU-ZETCQYMHSA-N 1 0 236.275 0.799 20 5 BCBDRO CC(C)[C@H](C(=O)OCCC[N+](=O)[O-])[NH+](C)C ZINC000860921646 589132627 /nfs/dbraw/zinc/13/26/27/589132627.db2.gz YZQCHXQXLGANJT-SECBINFHSA-N 1 0 232.280 0.783 20 5 BCBDRO Cc1ccc(CNC(=O)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000867995423 589543069 /nfs/dbraw/zinc/54/30/69/589543069.db2.gz CUZRVLLWSCDYTH-QMMMGPOBSA-N 1 0 237.259 0.867 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH3+] ZINC000876503005 590203647 /nfs/dbraw/zinc/20/36/47/590203647.db2.gz WCFLPYSGQVKLCS-UHFFFAOYSA-N 1 0 237.259 0.900 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000885960536 592116353 /nfs/dbraw/zinc/11/63/53/592116353.db2.gz MNDFGYPOWHUODI-GHMZBOCLSA-N 1 0 248.286 0.641 20 5 BCBDRO [NH3+][C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886828153 592352311 /nfs/dbraw/zinc/35/23/11/592352311.db2.gz YHIFWAPHJGVYOB-SNVBAGLBSA-N 1 0 236.275 0.913 20 5 BCBDRO C[C@H](C[NH3+])N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886830548 592354897 /nfs/dbraw/zinc/35/48/97/592354897.db2.gz SYXULCZLJZMFNF-MRVPVSSYSA-N 1 0 224.264 0.769 20 5 BCBDRO COC(=O)C[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000934037536 631636860 /nfs/dbraw/zinc/63/68/60/631636860.db2.gz XDARUWWWOQVGJQ-QMMMGPOBSA-N 1 0 232.280 0.831 20 5 BCBDRO CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983657669 635924156 /nfs/dbraw/zinc/92/41/56/635924156.db2.gz LDTWAAOWNUKOOQ-ZYUZMQFOSA-N 1 0 241.291 0.156 20 5 BCBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCNC1=O ZINC000897872193 636841244 /nfs/dbraw/zinc/84/12/44/636841244.db2.gz GNQXLLBDYZXYJQ-GFCCVEGCSA-N 1 0 249.270 0.963 20 5 BCBDRO NOCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000904457689 637418611 /nfs/dbraw/zinc/41/86/11/637418611.db2.gz SUEBHGCJFWCOSN-UHFFFAOYSA-N 1 0 225.248 0.965 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1cn2ccccc2n1 ZINC000905029408 637576223 /nfs/dbraw/zinc/57/62/23/637576223.db2.gz BAYCNFHEKUGYGQ-UHFFFAOYSA-N 1 0 234.259 0.743 20 5 BCBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCC[N+](=O)[O-] ZINC000905068359 637601723 /nfs/dbraw/zinc/60/17/23/637601723.db2.gz OICRNGPPZYBPHD-MNOVXSKESA-N 1 0 229.324 0.973 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCN1Cc2ccccc2C1 ZINC000905068519 637602052 /nfs/dbraw/zinc/60/20/52/637602052.db2.gz ORIHSXMUTPZQLV-UHFFFAOYSA-N 1 0 235.287 0.869 20 5 BCBDRO CC(C)(C)[S@](=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905109604 637618818 /nfs/dbraw/zinc/61/88/18/637618818.db2.gz LLXDFKCYVOQICK-CQSZACIVSA-N 1 0 222.310 0.400 20 5 BCBDRO C[NH+](C)[C@@H]1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905156943 637638464 /nfs/dbraw/zinc/63/84/64/637638464.db2.gz WZSMTDKZGNPQJW-VHSXEESVSA-N 1 0 215.297 0.726 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(CO)c1 ZINC000905159847 637639902 /nfs/dbraw/zinc/63/99/02/637639902.db2.gz MYLIDURTLBUGLS-UHFFFAOYSA-N 1 0 210.233 0.545 20 5 BCBDRO C[NH+](C)[C@H]1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905156941 637639979 /nfs/dbraw/zinc/63/99/79/637639979.db2.gz WZSMTDKZGNPQJW-UWVGGRQHSA-N 1 0 215.297 0.726 20 5 BCBDRO C[C@@H](Cc1ccncc1)[NH2+]CC[N+](=O)[O-] ZINC000905156578 637640120 /nfs/dbraw/zinc/64/01/20/637640120.db2.gz UBLPAPCWWGDEIN-VIFPVBQESA-N 1 0 209.249 0.879 20 5 BCBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])CC1(C)OCCO1 ZINC000905131602 637641799 /nfs/dbraw/zinc/64/17/99/637641799.db2.gz BQTOLLDCTHIWKZ-VIFPVBQESA-N 1 0 232.280 0.642 20 5 BCBDRO CC(C)OC(=O)[C@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905137456 637647340 /nfs/dbraw/zinc/64/73/40/637647340.db2.gz UBOLTGNZNVGXRU-MRVPVSSYSA-N 1 0 218.253 0.440 20 5 BCBDRO COC1(C[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000905181701 637664131 /nfs/dbraw/zinc/66/41/31/637664131.db2.gz OUCNIPRPNCSITK-UHFFFAOYSA-N 1 0 218.253 0.048 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000905185482 637667334 /nfs/dbraw/zinc/66/73/34/637667334.db2.gz BRKGGYZJXAQMOS-SNVBAGLBSA-N 1 0 236.275 0.527 20 5 BCBDRO CC(C)C(=O)NCCC[NH2+]CC[N+](=O)[O-] ZINC000905190977 637671549 /nfs/dbraw/zinc/67/15/49/637671549.db2.gz ZQDFHHFABWTTOX-UHFFFAOYSA-N 1 0 217.269 0.015 20 5 BCBDRO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC000905191394 637671891 /nfs/dbraw/zinc/67/18/91/637671891.db2.gz OGFHAYKBFCSJOC-AYMMMOKOSA-N 1 0 202.254 0.809 20 5 BCBDRO C[C@H]1CC([NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC000905191397 637672385 /nfs/dbraw/zinc/67/23/85/637672385.db2.gz OGFHAYKBFCSJOC-YUMQZZPRSA-N 1 0 202.254 0.809 20 5 BCBDRO C[C@@H]1C[C@@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905196163 637674251 /nfs/dbraw/zinc/67/42/51/637674251.db2.gz QRVMCOXTAOSITK-BDAKNGLRSA-N 1 0 202.254 0.668 20 5 BCBDRO C[C@H](C[C@H]1CCOC1)[NH2+]CC[N+](=O)[O-] ZINC000905168558 637679289 /nfs/dbraw/zinc/67/92/89/637679289.db2.gz MFPPCZLDNZDFTG-RKDXNWHRSA-N 1 0 202.254 0.668 20 5 BCBDRO COCCC1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905173186 637683611 /nfs/dbraw/zinc/68/36/11/637683611.db2.gz AVZYBYUGZFYZJX-UHFFFAOYSA-N 1 0 202.254 0.669 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1cccc(O)c1 ZINC000905176092 637684476 /nfs/dbraw/zinc/68/44/76/637684476.db2.gz KCXQQNBGHCKNPL-UHFFFAOYSA-N 1 0 210.233 0.801 20 5 BCBDRO Cc1cc(C[C@H](C)[NH2+]CC[N+](=O)[O-])[nH]n1 ZINC000905175554 637685108 /nfs/dbraw/zinc/68/51/08/637685108.db2.gz NNTKLPKREVZAMR-ZETCQYMHSA-N 1 0 212.253 0.515 20 5 BCBDRO CO[C@H]1CCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905201098 637694321 /nfs/dbraw/zinc/69/43/21/637694321.db2.gz MRVZIBLTOXKNCP-IUCAKERBSA-N 1 0 202.254 0.668 20 5 BCBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])[C@]12CCCO2 ZINC000905211298 637697552 /nfs/dbraw/zinc/69/75/52/637697552.db2.gz CEZSTSDNQLNBFT-GMTAPVOTSA-N 1 0 244.291 0.579 20 5 BCBDRO CC(C)OC(=O)CC[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905244046 637702883 /nfs/dbraw/zinc/70/28/83/637702883.db2.gz UCOVQDFOXONESV-VIFPVBQESA-N 1 0 232.280 0.973 20 5 BCBDRO CO[C@](C)(C[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905262962 637717220 /nfs/dbraw/zinc/71/72/20/637717220.db2.gz NQPYSWGLOSKMQB-SECBINFHSA-N 1 0 202.254 0.668 20 5 BCBDRO Cn1ncc2ccc(C[NH2+]CC[N+](=O)[O-])cc21 ZINC000905263622 637717242 /nfs/dbraw/zinc/71/72/42/637717242.db2.gz NKIYBIYIYFUXRZ-UHFFFAOYSA-N 1 0 234.259 0.940 20 5 BCBDRO CC[C@H](C)[C@@H](C[NH2+]CC[N+](=O)[O-])OC ZINC000905273073 637731704 /nfs/dbraw/zinc/73/17/04/637731704.db2.gz KBWREJOCUACVEN-DTWKUNHWSA-N 1 0 204.270 0.914 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCC1(O)CCC1 ZINC000905287382 637739578 /nfs/dbraw/zinc/73/95/78/637739578.db2.gz DEBVFWLVOCIZSQ-UHFFFAOYSA-N 1 0 202.254 0.548 20 5 BCBDRO CCC(CC)[C@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905347812 637769865 /nfs/dbraw/zinc/76/98/65/637769865.db2.gz CTXAUOKQRQAXRB-SECBINFHSA-N 1 0 204.270 0.650 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000905352588 637771718 /nfs/dbraw/zinc/77/17/18/637771718.db2.gz ADFPPOOQIPCDQQ-DTORHVGOSA-N 1 0 202.254 0.404 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)C1CCCCC1 ZINC000905342351 637782089 /nfs/dbraw/zinc/78/20/89/637782089.db2.gz WHTAHRGKNGETSC-JTQLQIEISA-N 1 0 216.281 0.794 20 5 BCBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000905362896 637788351 /nfs/dbraw/zinc/78/83/51/637788351.db2.gz BJBOFDNWCXNVCF-ZYHUDNBSSA-N 1 0 238.287 0.845 20 5 BCBDRO Cc1cccc(C[C@H](CO)[NH2+]CC[N+](=O)[O-])c1 ZINC000905367635 637789978 /nfs/dbraw/zinc/78/99/78/637789978.db2.gz LEDUIGBKAHKRRQ-GFCCVEGCSA-N 1 0 238.287 0.765 20 5 BCBDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905393366 637806414 /nfs/dbraw/zinc/80/64/14/637806414.db2.gz AIKKRBSPJYPFEH-NSHDSACASA-N 1 0 249.270 0.680 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000905476372 637817877 /nfs/dbraw/zinc/81/78/77/637817877.db2.gz ZAPSFPCDUIEOHT-LLVKDONJSA-N 1 0 242.250 0.595 20 5 BCBDRO CN(C)c1cc[nH+]c(CNCC[N+](=O)[O-])c1 ZINC000905518988 637843798 /nfs/dbraw/zinc/84/37/98/637843798.db2.gz QMCPRRIQBBQBLF-UHFFFAOYSA-N 1 0 224.264 0.514 20 5 BCBDRO Cc1ncccc1CC[NH2+]CC[N+](=O)[O-] ZINC000905699641 637890267 /nfs/dbraw/zinc/89/02/67/637890267.db2.gz LVCVULUTUCUHIP-UHFFFAOYSA-N 1 0 209.249 0.799 20 5 BCBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(CCO)cc1 ZINC000905697117 637896143 /nfs/dbraw/zinc/89/61/43/637896143.db2.gz RHEAWKMYEHVTKJ-UHFFFAOYSA-N 1 0 224.260 0.588 20 5 BCBDRO [NH3+]CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911628788 639689973 /nfs/dbraw/zinc/68/99/73/639689973.db2.gz DXCHOQCLVKIXLB-MNOVXSKESA-N 1 0 249.270 0.773 20 5 BCBDRO CO[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930323464 639705966 /nfs/dbraw/zinc/70/59/66/639705966.db2.gz NOXPEGNBLVXRFC-DTWKUNHWSA-N 1 0 202.254 0.762 20 5 BCBDRO CCC(CC)(CCO)[NH2+]CC[N+](=O)[O-] ZINC000930349001 639725036 /nfs/dbraw/zinc/72/50/36/639725036.db2.gz DMEXSKXVVMOVGY-UHFFFAOYSA-N 1 0 204.270 0.794 20 5 BCBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC[N+](=O)[O-] ZINC000930483826 639774400 /nfs/dbraw/zinc/77/44/00/639774400.db2.gz ZCLUYTWDYKWMMO-GHMZBOCLSA-N 1 0 227.308 0.822 20 5 BCBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N+](=O)[O-] ZINC000930483827 639775806 /nfs/dbraw/zinc/77/58/06/639775806.db2.gz ZCLUYTWDYKWMMO-MNOVXSKESA-N 1 0 227.308 0.822 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000930563851 639811561 /nfs/dbraw/zinc/81/15/61/639811561.db2.gz IOLSCWJOJLWJSS-GFCCVEGCSA-N 1 0 238.287 0.799 20 5 BCBDRO CC(C)(CO)[C@H]([NH2+]CC[N+](=O)[O-])C1CC1 ZINC000930583970 639814460 /nfs/dbraw/zinc/81/44/60/639814460.db2.gz CPYDFXASUCIPNN-SECBINFHSA-N 1 0 216.281 0.650 20 5 BCBDRO CC[C@@H]1C[N@H+](C)CCN1CC[N+](=O)[O-] ZINC000930587540 639814489 /nfs/dbraw/zinc/81/44/89/639814489.db2.gz VERFSFRUAHEJAE-SECBINFHSA-N 1 0 201.270 0.289 20 5 BCBDRO CC[C@H]1C[N@H+](C)CCN1CC[N+](=O)[O-] ZINC000930587543 639814628 /nfs/dbraw/zinc/81/46/28/639814628.db2.gz VERFSFRUAHEJAE-VIFPVBQESA-N 1 0 201.270 0.289 20 5 BCBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930607006 639818936 /nfs/dbraw/zinc/81/89/36/639818936.db2.gz LCKJMBZTUMVLRM-DTWKUNHWSA-N 1 0 202.254 0.356 20 5 BCBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000930640823 639833967 /nfs/dbraw/zinc/83/39/67/639833967.db2.gz XGKUGQZKDWEVSW-ZJUUUORDSA-N 1 0 244.291 0.975 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000930638643 639836691 /nfs/dbraw/zinc/83/66/91/639836691.db2.gz JTXXPXLNTMVNQW-QWRGUYRKSA-N 1 0 228.292 0.650 20 5 BCBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000930650048 639843296 /nfs/dbraw/zinc/84/32/96/639843296.db2.gz LEPUKYDKEWBICJ-BDAKNGLRSA-N 1 0 230.264 0.585 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000930650914 639845044 /nfs/dbraw/zinc/84/50/44/639845044.db2.gz QQNQKSZUWOZLOJ-VIFPVBQESA-N 1 0 218.297 0.992 20 5 BCBDRO CC[C@@H](C)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000930654279 639847326 /nfs/dbraw/zinc/84/73/26/639847326.db2.gz LWXMTYMUIPBSKJ-SNVBAGLBSA-N 1 0 215.297 0.679 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000930702133 639868043 /nfs/dbraw/zinc/86/80/43/639868043.db2.gz KIIUFMAHSVVCKO-BDAKNGLRSA-N 1 0 200.238 0.374 20 5 BCBDRO CN(CC[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000930753595 639897169 /nfs/dbraw/zinc/89/71/69/639897169.db2.gz HICAEZWXYIUVMY-VIFPVBQESA-N 1 0 201.270 0.289 20 5 BCBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930965547 639995685 /nfs/dbraw/zinc/99/56/85/639995685.db2.gz NFUVTMQEPXBWHA-VHSXEESVSA-N 1 0 216.281 0.746 20 5 BCBDRO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000930997422 640017299 /nfs/dbraw/zinc/01/72/99/640017299.db2.gz YBCNTURSQBRLSV-BRPSZJMVSA-N 1 0 202.254 0.212 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000931504652 640236101 /nfs/dbraw/zinc/23/61/01/640236101.db2.gz JJHOAWUFGPDXDM-MXWKQRLJSA-N 1 0 228.292 0.889 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000931549648 640269415 /nfs/dbraw/zinc/26/94/15/640269415.db2.gz NYJFKOMYWJBCFU-RKDXNWHRSA-N 1 0 216.306 0.948 20 5 BCBDRO CC(C)[C@H]1CN(CC[N+](=O)[O-])CC[N@@H+]1C ZINC000931549615 640270645 /nfs/dbraw/zinc/27/06/45/640270645.db2.gz GFSNOVIRMBWPPC-SNVBAGLBSA-N 1 0 215.297 0.535 20 5 BCBDRO CC(C)(O)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931622370 640294625 /nfs/dbraw/zinc/29/46/25/640294625.db2.gz NGPXEBONYDVNIV-QMMMGPOBSA-N 1 0 202.254 0.356 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000931747162 640346793 /nfs/dbraw/zinc/34/67/93/640346793.db2.gz MVCKAEGOQNHINV-NXEZZACHSA-N 1 0 214.265 0.500 20 5 BCBDRO O=[N+]([O-])CCN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000931753564 640351023 /nfs/dbraw/zinc/35/10/23/640351023.db2.gz RMKDDCUBDXPTIO-SSDOTTSWSA-N 1 0 242.197 0.510 20 5 BCBDRO C[N@@H+]1CCC[C@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000916832542 641979278 /nfs/dbraw/zinc/97/92/78/641979278.db2.gz RGRCEKSXGIWWSG-VIFPVBQESA-N 1 0 237.259 0.851 20 5 BCBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000087383681 644492599 /nfs/dbraw/zinc/49/25/99/644492599.db2.gz BKGZUNYLHXFXTF-SECBINFHSA-N 1 0 238.247 0.390 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1CCO ZINC000930369414 645935426 /nfs/dbraw/zinc/93/54/26/645935426.db2.gz AATLTPSCZBCEJY-SNVBAGLBSA-N 1 0 216.281 0.890 20 5 BCBDRO COC(=O)[C@@H](C)C[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929478680 646133099 /nfs/dbraw/zinc/13/30/99/646133099.db2.gz AUEXQRUVUSDIEV-QMMMGPOBSA-N 1 0 230.264 0.537 20 5 BCBDRO COC(=O)[C@H](C)C[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929478679 646133420 /nfs/dbraw/zinc/13/34/20/646133420.db2.gz AUEXQRUVUSDIEV-MRVPVSSYSA-N 1 0 230.264 0.537 20 5 BCBDRO O=[N+]([O-])CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000929605214 646196263 /nfs/dbraw/zinc/19/62/63/646196263.db2.gz GMINTAJTWXSQLA-NSHDSACASA-N 1 0 227.308 0.823 20 5 BCBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929764565 646298403 /nfs/dbraw/zinc/29/84/03/646298403.db2.gz WYAHWSDGIBJNCL-GFCCVEGCSA-N 1 0 241.335 0.927 20 5 BCBDRO CCC(CC)(CC(=O)OC)[NH2+]CC[N+](=O)[O-] ZINC000930025988 646398888 /nfs/dbraw/zinc/39/88/88/646398888.db2.gz VSVKMINOWWCIHZ-UHFFFAOYSA-N 1 0 232.280 0.975 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000930097888 646433906 /nfs/dbraw/zinc/43/39/06/646433906.db2.gz SLGQCSDYJIUHLN-DTWKUNHWSA-N 1 0 202.254 0.356 20 5 BCBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC[N+](=O)[O-] ZINC000930104635 646435524 /nfs/dbraw/zinc/43/55/24/646435524.db2.gz CQJQQCRSELSTOL-GXSJLCMTSA-N 1 0 244.291 0.975 20 5 BCBDRO NC(=O)CCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930156635 646463975 /nfs/dbraw/zinc/46/39/75/646463975.db2.gz AKNHJHMWRBAMAC-UHFFFAOYSA-N 1 0 229.280 0.241 20 5 BCBDRO C[N@@H+]1CCCC12CCN(CC[N+](=O)[O-])CC2 ZINC000930171137 646472136 /nfs/dbraw/zinc/47/21/36/646472136.db2.gz LPPHWLFSVPAUTF-UHFFFAOYSA-N 1 0 227.308 0.823 20 5 BCBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000717365623 712652727 /nfs/dbraw/zinc/65/27/27/712652727.db2.gz NGACTPAGMYBDGA-LLVKDONJSA-N 1 0 239.275 0.929 20 5 BCBDRO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])CCCO1 ZINC000930316412 712712197 /nfs/dbraw/zinc/71/21/97/712712197.db2.gz JBFAEYQDJDRTQX-SECBINFHSA-N 1 0 202.254 0.764 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000930590380 712712841 /nfs/dbraw/zinc/71/28/41/712712841.db2.gz SLMJQXXMMUOPOK-QWRGUYRKSA-N 1 0 244.291 0.173 20 5 BCBDRO C[NH+](C)C[C@H](O)CNc1cccnc1[N+](=O)[O-] ZINC000717419205 712657021 /nfs/dbraw/zinc/65/70/21/712657021.db2.gz IOQAWLOXLAYEQS-MRVPVSSYSA-N 1 0 240.263 0.324 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000930590379 712713103 /nfs/dbraw/zinc/71/31/03/712713103.db2.gz SLMJQXXMMUOPOK-MNOVXSKESA-N 1 0 244.291 0.173 20 5 BCBDRO C[C@@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668512 712736142 /nfs/dbraw/zinc/73/61/42/712736142.db2.gz HOPOGWAEGWKEAX-MRVPVSSYSA-N 1 0 237.259 0.948 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]CC1 ZINC000044747634 178271467 /nfs/dbraw/zinc/27/14/67/178271467.db2.gz WXNWDQPTUOBQHU-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO Cc1ccc(C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000111302952 178431192 /nfs/dbraw/zinc/43/11/92/178431192.db2.gz LEZPKPFOHFBVGV-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO COC[C@](C)([NH3+])CNc1cccnc1[N+](=O)[O-] ZINC000609626243 342889199 /nfs/dbraw/zinc/88/91/99/342889199.db2.gz HUISEIWXCRNBJY-SNVBAGLBSA-N 1 0 240.263 0.766 20 5 BCBDRO COC[C@@](C)([NH3+])CNc1cccnc1[N+](=O)[O-] ZINC000609626242 342889395 /nfs/dbraw/zinc/88/93/95/342889395.db2.gz HUISEIWXCRNBJY-JTQLQIEISA-N 1 0 240.263 0.766 20 5 BCBDRO C[NH+](C)C1CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000158300265 398332112 /nfs/dbraw/zinc/33/21/12/398332112.db2.gz IECIJZXFFQMLFB-UHFFFAOYSA-N 1 0 249.270 0.981 20 5 BCBDRO [NH3+]CCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000518369994 259340204 /nfs/dbraw/zinc/34/02/04/259340204.db2.gz JGDMASXDTJQWJI-UHFFFAOYSA-N 1 0 231.639 0.759 20 5 BCBDRO CC[N@H+](C)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000309296165 259342660 /nfs/dbraw/zinc/34/26/60/259342660.db2.gz XAOOLJJOPSXTBR-MRVPVSSYSA-N 1 0 228.252 0.104 20 5 BCBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000380021477 343670341 /nfs/dbraw/zinc/67/03/41/343670341.db2.gz DMSLDNBPUYYBRN-ZETCQYMHSA-N 1 0 240.263 0.780 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165894896 344195303 /nfs/dbraw/zinc/19/53/03/344195303.db2.gz MWIZCGXDKLLSGN-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000320662900 344450075 /nfs/dbraw/zinc/45/00/75/344450075.db2.gz IHPSEOGMAUZKCS-BQBZGAKWSA-N 1 0 240.263 0.779 20 5 BCBDRO CO[C@H](C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611337015 344476755 /nfs/dbraw/zinc/47/67/55/344476755.db2.gz REEMBTYWQZBTOY-DTWKUNHWSA-N 1 0 242.279 0.804 20 5 BCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000381370783 344498994 /nfs/dbraw/zinc/49/89/94/344498994.db2.gz MMSGTDUCVIVRRU-BQBZGAKWSA-N 1 0 240.263 0.399 20 5 BCBDRO Cn1cc(CN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000603428266 344521404 /nfs/dbraw/zinc/52/14/04/344521404.db2.gz GHFYJUTWHWZJQE-SECBINFHSA-N 1 0 239.279 0.251 20 5 BCBDRO CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363208623 344930928 /nfs/dbraw/zinc/93/09/28/344930928.db2.gz DPCIZNGTYUNXHX-UWVGGRQHSA-N 1 0 241.291 0.206 20 5 BCBDRO Cc1nn(C)c(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000080684643 345430697 /nfs/dbraw/zinc/43/06/97/345430697.db2.gz JNZRRYMMUSOSON-UHFFFAOYSA-N 1 0 241.295 0.635 20 5 BCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000381763342 346025181 /nfs/dbraw/zinc/02/51/81/346025181.db2.gz OXOMDCCJUTZEOU-WDSKDSINSA-N 1 0 226.236 0.388 20 5 BCBDRO C[C@H]([NH2+]CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000020083412 259387621 /nfs/dbraw/zinc/38/76/21/259387621.db2.gz VYJYHGUATZBWNY-ZETCQYMHSA-N 1 0 223.232 0.731 20 5 BCBDRO CC[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756638 347690894 /nfs/dbraw/zinc/69/08/94/347690894.db2.gz LBXLENPYWQQFJW-SECBINFHSA-N 1 0 228.252 0.152 20 5 BCBDRO Cc1n[nH]c(C(=O)N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000592298106 347766405 /nfs/dbraw/zinc/76/64/05/347766405.db2.gz FKOZJKBEUDVYJW-UHFFFAOYSA-N 1 0 241.251 0.047 20 5 BCBDRO O=[N+]([O-])c1ncccc1OC[C@H]1CC[NH2+]C1 ZINC000592157492 347745801 /nfs/dbraw/zinc/74/58/01/347745801.db2.gz ASAPZFYFQXCRIP-QMMMGPOBSA-N 1 0 223.232 0.978 20 5 BCBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CC1C[NH2+]C1 ZINC000592158456 347746078 /nfs/dbraw/zinc/74/60/78/347746078.db2.gz CNGDMTZYNITWSN-UHFFFAOYSA-N 1 0 249.226 0.722 20 5 BCBDRO O=[N+]([O-])c1cn(CC2C[NH2+]C2)nc1C1CC1 ZINC000592170459 347747032 /nfs/dbraw/zinc/74/70/32/347747032.db2.gz KIZAQMDYHHOGGB-UHFFFAOYSA-N 1 0 222.248 0.888 20 5 BCBDRO Cc1noc(C[NH2+][C@@H](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595430268 348248589 /nfs/dbraw/zinc/24/85/89/348248589.db2.gz UFMKVKTYJQTLDZ-BQBZGAKWSA-N 1 0 243.263 0.998 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000595982385 348417558 /nfs/dbraw/zinc/41/75/58/348417558.db2.gz JLYCICVSVZCGNN-LURJTMIESA-N 1 0 243.288 0.994 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595983702 348418255 /nfs/dbraw/zinc/41/82/55/348418255.db2.gz QLSNVNLGHIBFEL-MRVPVSSYSA-N 1 0 237.259 0.933 20 5 BCBDRO O=C1NCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000596057472 348434862 /nfs/dbraw/zinc/43/48/62/348434862.db2.gz SFIFWWZPXBHADP-JTQLQIEISA-N 1 0 235.243 0.573 20 5 BCBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cn2)CCC1 ZINC000598633433 349005067 /nfs/dbraw/zinc/00/50/67/349005067.db2.gz MWFPBRXYWRYOOA-UHFFFAOYSA-N 1 0 237.263 0.939 20 5 BCBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000382997021 351162780 /nfs/dbraw/zinc/16/27/80/351162780.db2.gz LVAODXZMFXBUEO-ZCFIWIBFSA-N 1 0 226.236 0.342 20 5 BCBDRO C[NH2+]CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856755 351411887 /nfs/dbraw/zinc/41/18/87/351411887.db2.gz MWQIYOWWQUSVLO-UHFFFAOYSA-N 1 0 237.259 0.739 20 5 BCBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000090322772 363038310 /nfs/dbraw/zinc/03/83/10/363038310.db2.gz FJHFSSVRNBQXOA-YUMQZZPRSA-N 1 0 235.247 0.040 20 5 BCBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322840 363038702 /nfs/dbraw/zinc/03/87/02/363038702.db2.gz WWANVFAAXDVKNP-NXEZZACHSA-N 1 0 248.286 0.954 20 5 BCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[NH2+]CC1 ZINC000019385015 352505374 /nfs/dbraw/zinc/50/53/74/352505374.db2.gz NDSMIONVNDSNQF-UHFFFAOYSA-N 1 0 239.231 0.623 20 5 BCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000320662906 353772995 /nfs/dbraw/zinc/77/29/95/353772995.db2.gz IHPSEOGMAUZKCS-RQJHMYQMSA-N 1 0 240.263 0.779 20 5 BCBDRO Cc1nc(N[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420237932 192183729 /nfs/dbraw/zinc/18/37/29/192183729.db2.gz MOWYEPSFVBSTSL-MRVPVSSYSA-N 1 0 237.263 0.857 20 5 BCBDRO CN(CC[NH3+])c1ncnc2cccc([N+](=O)[O-])c21 ZINC000420275942 192198434 /nfs/dbraw/zinc/19/84/34/192198434.db2.gz GIRGGCGKKVBVBZ-UHFFFAOYSA-N 1 0 247.258 0.933 20 5 BCBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[NH2+]1 ZINC000088059081 356473457 /nfs/dbraw/zinc/47/34/57/356473457.db2.gz XGZODCVMJJLHTQ-ZETCQYMHSA-N 1 0 238.247 0.357 20 5 BCBDRO Cc1c(CNC(=O)[C@H]2CC[NH2+]2)cccc1[N+](=O)[O-] ZINC000384813485 356755982 /nfs/dbraw/zinc/75/59/82/356755982.db2.gz HLFQLIZYKBECSS-SNVBAGLBSA-N 1 0 249.270 0.881 20 5 BCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]1 ZINC000384837666 356772061 /nfs/dbraw/zinc/77/20/61/356772061.db2.gz QIMGBMZOSXWGDW-SECBINFHSA-N 1 0 221.216 0.895 20 5 BCBDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000389723200 356930022 /nfs/dbraw/zinc/93/00/22/356930022.db2.gz INZXCLMEDOTLAL-CBAPKCEASA-N 1 0 237.263 0.795 20 5 BCBDRO C[N@H+]1C[C@H]2CN(c3ccncc3[N+](=O)[O-])C[C@H]2C1 ZINC000618686124 357234906 /nfs/dbraw/zinc/23/49/06/357234906.db2.gz GWXVACNPVQMHOF-AOOOYVTPSA-N 1 0 248.286 0.988 20 5 BCBDRO C[N@@H+]1CC[C@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000191094343 357749685 /nfs/dbraw/zinc/74/96/85/357749685.db2.gz XOYRELGMCXSHOE-QMMMGPOBSA-N 1 0 210.237 0.743 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1SCC[NH+](C)C ZINC000610680842 358059381 /nfs/dbraw/zinc/05/93/81/358059381.db2.gz QTJKSBDYGCRLNL-UHFFFAOYSA-N 1 0 230.293 0.982 20 5 BCBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035794564 359455554 /nfs/dbraw/zinc/45/55/54/359455554.db2.gz YRRTYOPOPGTVKE-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000580422348 359536359 /nfs/dbraw/zinc/53/63/59/359536359.db2.gz ZVPXAQNTZOMDJT-HZGVNTEJSA-N 1 0 240.238 0.912 20 5 BCBDRO [NH3+]CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262396438 181352268 /nfs/dbraw/zinc/35/22/68/181352268.db2.gz NAWXKMHWIHGQIW-UHFFFAOYSA-N 1 0 223.232 0.212 20 5 BCBDRO [NH3+]CCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943218 181372598 /nfs/dbraw/zinc/37/25/98/181372598.db2.gz KMPVCBABSRPSAO-UHFFFAOYSA-N 1 0 237.259 0.950 20 5 BCBDRO [NH3+]CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669230 181381758 /nfs/dbraw/zinc/38/17/58/181381758.db2.gz LPJSUCSWEQBADE-UHFFFAOYSA-N 1 0 241.222 0.813 20 5 BCBDRO [NH3+]CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000013834259 181395468 /nfs/dbraw/zinc/39/54/68/181395468.db2.gz XRYYFGDGSJGUCK-UHFFFAOYSA-N 1 0 209.205 0.283 20 5 BCBDRO CC[N@H+](C)C[C@H](O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000581022045 367237015 /nfs/dbraw/zinc/23/70/15/367237015.db2.gz JJTIHKLXMVIYHF-VIFPVBQESA-N 1 0 242.279 0.412 20 5 BCBDRO C[N@H+](CCC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000027215581 368237239 /nfs/dbraw/zinc/23/72/39/368237239.db2.gz ACJDHAIRHSFQLX-UHFFFAOYSA-N 1 0 237.259 0.902 20 5 BCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000567473166 326199432 /nfs/dbraw/zinc/19/94/32/326199432.db2.gz BBZDDZIUZKYCHC-WDSKDSINSA-N 1 0 241.251 0.174 20 5 BCBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000070446740 371029854 /nfs/dbraw/zinc/02/98/54/371029854.db2.gz OJZUASFDVHIABK-ZETCQYMHSA-N 1 0 241.247 0.901 20 5 BCBDRO C[N@H+](C[C@@H](O)Cn1ccnc1[N+](=O)[O-])C1CC1 ZINC000601964321 371780057 /nfs/dbraw/zinc/78/00/57/371780057.db2.gz NMRPFAUJHRTSTR-SECBINFHSA-N 1 0 240.263 0.246 20 5 BCBDRO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[NH2+]1 ZINC000602430035 371803809 /nfs/dbraw/zinc/80/38/09/371803809.db2.gz VBHUVNGWLBILAN-MRVPVSSYSA-N 1 0 239.279 0.122 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc[nH]c2)c1 ZINC000178872988 182959992 /nfs/dbraw/zinc/95/99/92/182959992.db2.gz SDQULIQFPPTCGP-UHFFFAOYSA-N 1 0 235.247 0.909 20 5 BCBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158459153 383974836 /nfs/dbraw/zinc/97/48/36/383974836.db2.gz FGEAWYRIZRPICU-UHFFFAOYSA-N 1 0 249.270 0.981 20 5 BCBDRO C[NH+](C)CCNc1ccncc1[N+](=O)[O-] ZINC000020370193 384307906 /nfs/dbraw/zinc/30/79/06/384307906.db2.gz SGGBPOYSPNEISN-UHFFFAOYSA-N 1 0 210.237 0.963 20 5 BCBDRO C[C@H](CC(N)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135725382 384318607 /nfs/dbraw/zinc/31/86/07/384318607.db2.gz KFRMJCAQDJZZNS-MRVPVSSYSA-N 1 0 237.259 0.948 20 5 BCBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000148778347 384376510 /nfs/dbraw/zinc/37/65/10/384376510.db2.gz QPLOKAKZLYBUJP-ZETCQYMHSA-N 1 0 240.263 0.508 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](O)C2)n1 ZINC000176190075 384450871 /nfs/dbraw/zinc/45/08/71/384450871.db2.gz YKXPLEAVBHWIPE-VIFPVBQESA-N 1 0 240.263 0.248 20 5 BCBDRO C[C@@H]([NH3+])Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000573203793 384461583 /nfs/dbraw/zinc/46/15/83/384461583.db2.gz XDDIKAAGIBAROW-RXMQYKEDSA-N 1 0 215.184 0.243 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2CO)n1 ZINC000176248749 384496647 /nfs/dbraw/zinc/49/66/47/384496647.db2.gz YOGOUSPXJXULBI-VIFPVBQESA-N 1 0 240.263 0.248 20 5 BCBDRO C[NH2+][C@@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000261545675 384552875 /nfs/dbraw/zinc/55/28/75/384552875.db2.gz GGZQZRVCQJXWAH-QMMMGPOBSA-N 1 0 237.259 0.933 20 5 BCBDRO COC[C@@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070589965 384593576 /nfs/dbraw/zinc/59/35/76/384593576.db2.gz HVGVHQKBVJRQIP-QMMMGPOBSA-N 1 0 246.288 0.753 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165895902 384883735 /nfs/dbraw/zinc/88/37/35/384883735.db2.gz CZSKAXPPCSFCCW-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCO)C2)c1 ZINC000364323859 385032118 /nfs/dbraw/zinc/03/21/18/385032118.db2.gz KNGITVAEQSIYRG-SECBINFHSA-N 1 0 240.263 0.421 20 5 BCBDRO C[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351336 385134636 /nfs/dbraw/zinc/13/46/36/385134636.db2.gz BZWSGUJSEYNBBM-NSHDSACASA-N 1 0 240.259 0.552 20 5 BCBDRO Cc1c(NC(=O)C[NH3+])cccc1[N+](=O)[O-] ZINC000034979745 385661038 /nfs/dbraw/zinc/66/10/38/385661038.db2.gz WZVMDYIRVSEFSI-UHFFFAOYSA-N 1 0 209.205 0.800 20 5 BCBDRO CC[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943242 386434152 /nfs/dbraw/zinc/43/41/52/386434152.db2.gz OAGRFXJTMKZCIF-JTQLQIEISA-N 1 0 237.259 0.948 20 5 BCBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346277517 387094098 /nfs/dbraw/zinc/09/40/98/387094098.db2.gz UGLLGMVLCUPMFY-ZETCQYMHSA-N 1 0 240.263 0.603 20 5 BCBDRO CN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000054417668 388519030 /nfs/dbraw/zinc/51/90/30/388519030.db2.gz SLEOZZVMZNUNRR-UHFFFAOYSA-N 1 0 223.232 0.626 20 5 BCBDRO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298873818 388672835 /nfs/dbraw/zinc/67/28/35/388672835.db2.gz WYLFRDMGRBLELZ-UHFFFAOYSA-N 1 0 226.236 0.214 20 5 BCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000424080703 388693665 /nfs/dbraw/zinc/69/36/65/388693665.db2.gz TZWBPSGBUDGMHK-DTWKUNHWSA-N 1 0 221.216 0.881 20 5 BCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH3+] ZINC000490047962 388845589 /nfs/dbraw/zinc/84/55/89/388845589.db2.gz WJIHRNNJZHERMG-UHFFFAOYSA-N 1 0 239.231 0.178 20 5 BCBDRO C[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000076991359 135056979 /nfs/dbraw/zinc/05/69/79/135056979.db2.gz MBMWPZVXOJDJOM-UHFFFAOYSA-N 1 0 240.259 0.898 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261906033 135261670 /nfs/dbraw/zinc/26/16/70/135261670.db2.gz WYGLYJOHLHLOLM-SECBINFHSA-N 1 0 239.279 0.085 20 5 BCBDRO [NH3+]CCN(CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000342394040 135270591 /nfs/dbraw/zinc/27/05/91/135270591.db2.gz WPBQDJPDLOLAOG-UHFFFAOYSA-N 1 0 239.275 0.348 20 5 BCBDRO C[NH+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273615184 397747321 /nfs/dbraw/zinc/74/73/21/397747321.db2.gz MZOJHAOWFABNNW-MRVPVSSYSA-N 1 0 237.263 0.525 20 5 BCBDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000104220084 410928129 /nfs/dbraw/zinc/92/81/29/410928129.db2.gz VXUUUHCHCMWQFN-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO CC[NH2+]CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000054263688 170115497 /nfs/dbraw/zinc/11/54/97/170115497.db2.gz KTWVWEMNPMOPLQ-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO CC[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000054263682 170115798 /nfs/dbraw/zinc/11/57/98/170115798.db2.gz KCMHNQPGBDZIOQ-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO Cc1nc(NCC[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000420154025 411775010 /nfs/dbraw/zinc/77/50/10/411775010.db2.gz HTGKDLUPBHRBLI-LURJTMIESA-N 1 0 225.252 0.842 20 5 BCBDRO Nc1ccc(NC2CC[NH2+]CC2)nc1[N+](=O)[O-] ZINC000596016980 412302865 /nfs/dbraw/zinc/30/28/65/412302865.db2.gz XOTGQLMOPQPQJE-UHFFFAOYSA-N 1 0 237.263 0.736 20 5 BCBDRO CN1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000299608879 173186273 /nfs/dbraw/zinc/18/62/73/173186273.db2.gz GGDWEGYXPZQSCP-JTQLQIEISA-N 1 0 249.270 0.915 20 5 BCBDRO CNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037207398 173277639 /nfs/dbraw/zinc/27/76/39/173277639.db2.gz DMAAHPYEQOWIDN-UHFFFAOYSA-N 1 0 223.232 0.430 20 5 BCBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000036279889 173349013 /nfs/dbraw/zinc/34/90/13/173349013.db2.gz AFJDMXVNCYASOF-UHFFFAOYSA-N 1 0 243.288 0.996 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070303664 173351873 /nfs/dbraw/zinc/35/18/73/173351873.db2.gz OJFFAFURDYHNOG-UHFFFAOYSA-N 1 0 237.259 0.886 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000237096492 173355983 /nfs/dbraw/zinc/35/59/83/173355983.db2.gz NGTKRMAWXVRAIY-UHFFFAOYSA-N 1 0 238.247 0.126 20 5 BCBDRO COc1ccc(CN(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000054419288 175095179 /nfs/dbraw/zinc/09/51/79/175095179.db2.gz FAYUUYNGDGYHER-UHFFFAOYSA-N 1 0 239.275 0.994 20 5 BCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH3+] ZINC000237190680 175200765 /nfs/dbraw/zinc/20/07/65/175200765.db2.gz CBSLFAOJUZAWBQ-UHFFFAOYSA-N 1 0 239.231 0.292 20 5 BCBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH2+]1 ZINC000088059084 176261023 /nfs/dbraw/zinc/26/10/23/176261023.db2.gz ZWHQOSMCQBNHLL-SSDOTTSWSA-N 1 0 238.247 0.357 20 5 BCBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000340906156 176382061 /nfs/dbraw/zinc/38/20/61/176382061.db2.gz KQWJTCSBJZROAM-PSASIEDQSA-N 1 0 240.263 0.246 20 5 BCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000394472682 323037187 /nfs/dbraw/zinc/03/71/87/323037187.db2.gz NLIRDSRTWFGMLS-RQJHMYQMSA-N 1 0 240.263 0.399 20 5 BCBDRO Cc1nn(CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000570042228 323048312 /nfs/dbraw/zinc/04/83/12/323048312.db2.gz DZJWGMYJUTUAKF-UHFFFAOYSA-N 1 0 239.279 0.005 20 5 BCBDRO Nc1c([N+](=O)[O-])cnn1CCC1CC[NH2+]CC1 ZINC000564839927 325814890 /nfs/dbraw/zinc/81/48/90/325814890.db2.gz HHRFJZVNQYRSGX-UHFFFAOYSA-N 1 0 239.279 0.763 20 5 BCBDRO CN(CC1C[NH+](C)C1)Cn1cc([N+](=O)[O-])cn1 ZINC000853553590 588748558 /nfs/dbraw/zinc/74/85/58/588748558.db2.gz QKIIADWAGWXSDY-UHFFFAOYSA-N 1 0 239.279 0.242 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1C ZINC000892007432 582760765 /nfs/dbraw/zinc/76/07/65/582760765.db2.gz IYZYJSSUOKMMHC-QMMMGPOBSA-N 1 0 239.279 0.834 20 5 BCBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cn1 ZINC000894878116 583542112 /nfs/dbraw/zinc/54/21/12/583542112.db2.gz FCJKRTLRVWFIPM-DTORHVGOSA-N 1 0 249.274 0.668 20 5 BCBDRO CC1CC[NH+](CCCNCC[N+](=O)[O-])CC1 ZINC000899866797 584244030 /nfs/dbraw/zinc/24/40/30/584244030.db2.gz NGZHPFBQIOZZIH-UHFFFAOYSA-N 1 0 229.324 0.975 20 5 BCBDRO C[C@@H]1CN(CCC[NH2+]CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000899865057 584245422 /nfs/dbraw/zinc/24/54/22/584245422.db2.gz PIFKGFYRTSBFTB-GHMZBOCLSA-N 1 0 245.323 0.352 20 5 BCBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000899891354 584246239 /nfs/dbraw/zinc/24/62/39/584246239.db2.gz OHAFATYBZHAJHU-MXWKQRLJSA-N 1 0 245.323 0.350 20 5 BCBDRO C[C@H]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000899891938 584248868 /nfs/dbraw/zinc/24/88/68/584248868.db2.gz NGQRJUJYTABFTO-DTWKUNHWSA-N 1 0 202.254 0.810 20 5 BCBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839525273 585105732 /nfs/dbraw/zinc/10/57/32/585105732.db2.gz RSQWPUKALQQNOZ-OPRDCNLKSA-N 1 0 243.307 0.498 20 5 BCBDRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839632629 585333040 /nfs/dbraw/zinc/33/30/40/585333040.db2.gz HROVZKWWAQLDGG-OPRDCNLKSA-N 1 0 241.291 0.204 20 5 BCBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000839639642 585334832 /nfs/dbraw/zinc/33/48/32/585334832.db2.gz BYZYXFMRZWTRCK-FXBDTBDDSA-N 1 0 241.291 0.251 20 5 BCBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839690599 585335411 /nfs/dbraw/zinc/33/54/11/585335411.db2.gz YKXDUQRMMOIEND-KXUCPTDWSA-N 1 0 243.307 0.354 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761716229 585417998 /nfs/dbraw/zinc/41/79/98/585417998.db2.gz ZIWZEHTZIWOGNN-KOLCDFICSA-N 1 0 249.270 0.851 20 5 BCBDRO O=[N+]([O-])CCN1CC[NH+](C2CCC2)CC1 ZINC000787716926 585914387 /nfs/dbraw/zinc/91/43/87/585914387.db2.gz KFYMTDWNPVQEBS-UHFFFAOYSA-N 1 0 213.281 0.433 20 5 BCBDRO NC(=O)C[C@H]([NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000787732230 585914872 /nfs/dbraw/zinc/91/48/72/585914872.db2.gz XFWGKOAJEMRXKU-JTQLQIEISA-N 1 0 243.307 0.677 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000791052406 585972559 /nfs/dbraw/zinc/97/25/59/585972559.db2.gz NBVMHELPVAHYDU-SECBINFHSA-N 1 0 200.238 0.376 20 5 BCBDRO CC(=O)NC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791052008 585972743 /nfs/dbraw/zinc/97/27/43/585972743.db2.gz JUYFHHWTNKJBLC-JTQLQIEISA-N 1 0 229.280 0.111 20 5 BCBDRO O=C1CN(CC[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000791052391 585972883 /nfs/dbraw/zinc/97/28/83/585972883.db2.gz MTTLDAYHRRLWSE-IUCAKERBSA-N 1 0 227.264 0.006 20 5 BCBDRO C[NH+](C)C1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827515854 587385726 /nfs/dbraw/zinc/38/57/26/587385726.db2.gz HMPZVAQSUIQDJU-UHFFFAOYSA-N 1 0 243.307 0.594 20 5 BCBDRO CNC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000848982699 588424680 /nfs/dbraw/zinc/42/46/80/588424680.db2.gz ALXNTPHIZRGRFA-UHFFFAOYSA-N 1 0 237.263 0.750 20 5 BCBDRO C[C@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642160 589386910 /nfs/dbraw/zinc/38/69/10/589386910.db2.gz ITYDUCAXNYPMJD-LURJTMIESA-N 1 0 213.241 0.353 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886841798 592364173 /nfs/dbraw/zinc/36/41/73/592364173.db2.gz VTBGOZXNSWZQFU-PHIMTYICSA-N 1 0 248.286 0.926 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)C1 ZINC000892319649 632049341 /nfs/dbraw/zinc/04/93/41/632049341.db2.gz NYTSFQLQNULMOJ-QMMMGPOBSA-N 1 0 239.279 0.692 20 5 BCBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CC[N+](=O)[O-])C1 ZINC000930751401 634088359 /nfs/dbraw/zinc/08/83/59/634088359.db2.gz ZQVKGQVLVMBNSW-RKDXNWHRSA-N 1 0 202.254 0.213 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000162870259 635147156 /nfs/dbraw/zinc/14/71/56/635147156.db2.gz WXMRLAPEVRAGLM-UWVGGRQHSA-N 1 0 248.286 0.954 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000162870134 635147526 /nfs/dbraw/zinc/14/75/26/635147526.db2.gz WXMRLAPEVRAGLM-NXEZZACHSA-N 1 0 248.286 0.954 20 5 BCBDRO CC1CC[NH+](CCNCC[N+](=O)[O-])CC1 ZINC000905051172 637569886 /nfs/dbraw/zinc/56/98/86/637569886.db2.gz ZMAKBFFYLZRSDM-UHFFFAOYSA-N 1 0 215.297 0.585 20 5 BCBDRO C[C@@H](CNCC[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000905086233 637584143 /nfs/dbraw/zinc/58/41/43/637584143.db2.gz CABFCJWWCPYRFY-QMMMGPOBSA-N 1 0 201.270 0.335 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000905076570 637605252 /nfs/dbraw/zinc/60/52/52/637605252.db2.gz QJXQPTKHBGQXQA-ZETCQYMHSA-N 1 0 241.213 0.489 20 5 BCBDRO CC[C@H](C[NH+]1CCCC1)NCC[N+](=O)[O-] ZINC000905121265 637626384 /nfs/dbraw/zinc/62/63/84/637626384.db2.gz CCJPGERMUINWST-SNVBAGLBSA-N 1 0 215.297 0.727 20 5 BCBDRO CC(C)OC(=O)[C@@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905137457 637646505 /nfs/dbraw/zinc/64/65/05/637646505.db2.gz UBOLTGNZNVGXRU-QMMMGPOBSA-N 1 0 218.253 0.440 20 5 BCBDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905140233 637648173 /nfs/dbraw/zinc/64/81/73/637648173.db2.gz UELOREPIUDMKJS-MRVPVSSYSA-N 1 0 240.307 0.834 20 5 BCBDRO CCC[N@H+](CC)CCNCC[N+](=O)[O-] ZINC000905143698 637651385 /nfs/dbraw/zinc/65/13/85/637651385.db2.gz BFMFXDAYVLECFS-UHFFFAOYSA-N 1 0 203.286 0.585 20 5 BCBDRO CC1(C)C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905190106 637668808 /nfs/dbraw/zinc/66/88/08/637668808.db2.gz WOKBOTIRNIIDQX-MRVPVSSYSA-N 1 0 202.254 0.810 20 5 BCBDRO C[C@@H]1CC([NH2+]CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000905191396 637671193 /nfs/dbraw/zinc/67/11/93/637671193.db2.gz OGFHAYKBFCSJOC-HTQZYQBOSA-N 1 0 202.254 0.809 20 5 BCBDRO CCOC(=O)CC[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905192322 637672411 /nfs/dbraw/zinc/67/24/11/637672411.db2.gz ZHMDMLBFWUWDCG-MRVPVSSYSA-N 1 0 218.253 0.585 20 5 BCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC[N+](=O)[O-] ZINC000905161255 637674082 /nfs/dbraw/zinc/67/40/82/637674082.db2.gz WHFZFWHHZKYZES-SCZZXKLOSA-N 1 0 213.281 0.335 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCOC2(CCC2)C1 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/nfs/dbraw/zinc/31/08/37/646310837.db2.gz PLKHTNJCRIRBLH-NXEZZACHSA-N 1 0 215.297 0.678 20 5 BCBDRO C[C@H]1C[C@H](N(C)CC[N+](=O)[O-])CC[N@@H+]1C ZINC000929783049 646311449 /nfs/dbraw/zinc/31/14/49/646311449.db2.gz PLKHTNJCRIRBLH-VHSXEESVSA-N 1 0 215.297 0.678 20 5 BCBDRO O=[N+]([O-])CCN1CC[C@](O)(C(F)(F)F)C1 ZINC000929798932 646324463 /nfs/dbraw/zinc/32/44/63/646324463.db2.gz KCBWMNAAXZTYKD-ZCFIWIBFSA-N 1 0 228.170 0.262 20 5 BCBDRO CC(C)(O)C[N@H+](CC[N+](=O)[O-])C1CCOCC1 ZINC000929797733 646324865 /nfs/dbraw/zinc/32/48/65/646324865.db2.gz FMDXGJFXLRYNGL-UHFFFAOYSA-N 1 0 246.307 0.515 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000929822525 646338618 /nfs/dbraw/zinc/33/86/18/646338618.db2.gz DPLFLDAJAOHVKT-ZJUUUORDSA-N 1 0 214.265 0.764 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000930071230 646419632 /nfs/dbraw/zinc/41/96/32/646419632.db2.gz FEKLDHILGRARMR-NXEZZACHSA-N 1 0 214.265 0.622 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000930590381 712713068 /nfs/dbraw/zinc/71/30/68/712713068.db2.gz SLMJQXXMMUOPOK-WDEREUQCSA-N 1 0 244.291 0.173 20 5 BCBDRO C[N@@H+]1CC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000712590578 712435611 /nfs/dbraw/zinc/43/56/11/712435611.db2.gz CQUCOXIKPDEMNE-ZETCQYMHSA-N 1 0 238.247 0.811 20 5 BCBDRO C[C@@H]([NH2+]CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000037176689 712550480 /nfs/dbraw/zinc/55/04/80/712550480.db2.gz YVRBSWHLBCPGKE-SSDOTTSWSA-N 1 0 223.232 0.731 20 5 BCBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000719571362 712810624 /nfs/dbraw/zinc/81/06/24/712810624.db2.gz GTFKTSGVCGFRDA-IONNQARKSA-N 1 0 237.263 0.889 20 5 BCBDRO C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000719570493 712810807 /nfs/dbraw/zinc/81/08/07/712810807.db2.gz DVMUNSCKSHJNJS-SFYZADRCSA-N 1 0 239.279 0.833 20 5 BCBDRO Cn1cc(C[NH+]2CCCC2)c([N+](=O)[O-])n1 ZINC000602427657 349533424 /nfs/dbraw/zinc/53/34/24/349533424.db2.gz HKNNNIHFTCSADX-UHFFFAOYSA-N 1 0 210.237 0.924 20 5 BCBDRO Cc1ccc(C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000054417386 178378209 /nfs/dbraw/zinc/37/82/09/178378209.db2.gz KFBACTWCTNUUSY-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267848184 398314525 /nfs/dbraw/zinc/31/45/25/398314525.db2.gz APYHFERAFXKNPN-UHFFFAOYSA-N 1 0 240.263 0.557 20 5 BCBDRO [NH3+]C[C@H]1CC[C@H](Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000518765037 259364240 /nfs/dbraw/zinc/36/42/40/259364240.db2.gz IHBZNLOFGZZDHC-KYZUINATSA-N 1 0 239.279 0.951 20 5 BCBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000379842612 343638444 /nfs/dbraw/zinc/63/84/44/343638444.db2.gz CANZULBYOLIYFS-SSDOTTSWSA-N 1 0 240.263 0.780 20 5 BCBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000380032269 343671756 /nfs/dbraw/zinc/67/17/56/343671756.db2.gz GSWCKQAZKCGDTE-SSDOTTSWSA-N 1 0 240.263 0.400 20 5 BCBDRO C[C@](O)(CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000090284700 344267818 /nfs/dbraw/zinc/26/78/18/344267818.db2.gz HLFMWOJSMIMIRO-LLVKDONJSA-N 1 0 240.259 0.428 20 5 BCBDRO CO[C@@H](C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611337016 344477081 /nfs/dbraw/zinc/47/70/81/344477081.db2.gz REEMBTYWQZBTOY-IUCAKERBSA-N 1 0 242.279 0.804 20 5 BCBDRO [NH3+]CCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000158156104 344555924 /nfs/dbraw/zinc/55/59/24/344555924.db2.gz JFJBBMIVNHXMHZ-UHFFFAOYSA-N 1 0 247.258 0.736 20 5 BCBDRO CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000363208624 344931094 /nfs/dbraw/zinc/93/10/94/344931094.db2.gz DPCIZNGTYUNXHX-VHSXEESVSA-N 1 0 241.291 0.206 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000082573562 345436911 /nfs/dbraw/zinc/43/69/11/345436911.db2.gz ZLAYETNOZRHLET-YFKPBYRVSA-N 1 0 229.261 0.733 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000082573566 345436944 /nfs/dbraw/zinc/43/69/44/345436944.db2.gz QHMLSQYUIZRIDR-YFKPBYRVSA-N 1 0 213.193 0.265 20 5 BCBDRO Cc1nc(N[C@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000574927233 346415694 /nfs/dbraw/zinc/41/56/94/346415694.db2.gz BGWQYMBUEXJKQW-ZETCQYMHSA-N 1 0 223.236 0.467 20 5 BCBDRO O=c1c([N+](=O)[O-])cccn1CC[C@H]1CC[NH2+]C1 ZINC000580644139 365839633 /nfs/dbraw/zinc/83/96/33/365839633.db2.gz HTUXDLQBLOMDAV-SECBINFHSA-N 1 0 237.259 0.756 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000592333563 347768540 /nfs/dbraw/zinc/76/85/40/347768540.db2.gz KDAFBDLDUNXXOQ-ZCFIWIBFSA-N 1 0 238.247 0.254 20 5 BCBDRO C[C@@H]([NH3+])Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000592160010 347745853 /nfs/dbraw/zinc/74/58/53/347745853.db2.gz IMCUKKDUDSWPGL-RXMQYKEDSA-N 1 0 231.639 0.757 20 5 BCBDRO O=c1c([N+](=O)[O-])cccn1C[C@H]1CC[NH2+]C1 ZINC000592158769 347745917 /nfs/dbraw/zinc/74/59/17/347745917.db2.gz QMRMVZDTMWNVKV-QMMMGPOBSA-N 1 0 223.232 0.366 20 5 BCBDRO C[NH2+]CCCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000577277843 365914281 /nfs/dbraw/zinc/91/42/81/365914281.db2.gz BRLVLRGTMIYNHY-UHFFFAOYSA-N 1 0 225.248 0.674 20 5 BCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592477595 347791396 /nfs/dbraw/zinc/79/13/96/347791396.db2.gz CJTSPZOCTKOSKM-URLYPYJESA-N 1 0 247.254 0.999 20 5 BCBDRO Cc1noc(CN[C@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595433002 348249000 /nfs/dbraw/zinc/24/90/00/348249000.db2.gz XXKQJFBPCNLXEF-MRVPVSSYSA-N 1 0 243.263 0.998 20 5 BCBDRO Cc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000161528934 180003651 /nfs/dbraw/zinc/00/36/51/180003651.db2.gz VQOZWAUIVOVNDF-AOOOYVTPSA-N 1 0 248.286 0.954 20 5 BCBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000133614313 191107425 /nfs/dbraw/zinc/10/74/25/191107425.db2.gz SZUZOCBYLWALNM-SSDOTTSWSA-N 1 0 239.231 0.527 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000159759638 350995778 /nfs/dbraw/zinc/99/57/78/350995778.db2.gz BPFCPBOFRGPXNK-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@@H]([NH3+])Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000222855081 351123886 /nfs/dbraw/zinc/12/38/86/351123886.db2.gz GTFCPGCGAZXYDP-SCSAIBSYSA-N 1 0 249.068 0.901 20 5 BCBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000383025358 351166411 /nfs/dbraw/zinc/16/64/11/351166411.db2.gz YGWZBTCSRRESHW-SSDOTTSWSA-N 1 0 240.263 0.353 20 5 BCBDRO C[C@@H]([NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943249 353136934 /nfs/dbraw/zinc/13/69/34/353136934.db2.gz WDWOJEFHAGRZFF-MRVPVSSYSA-N 1 0 237.259 0.948 20 5 BCBDRO O=C1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000048545805 353157268 /nfs/dbraw/zinc/15/72/68/353157268.db2.gz MDLQQFWBQBQFDE-UHFFFAOYSA-N 1 0 249.270 0.569 20 5 BCBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035148852 355855252 /nfs/dbraw/zinc/85/52/52/355855252.db2.gz MJUVKIXIOYZFHQ-SSDOTTSWSA-N 1 0 223.232 0.558 20 5 BCBDRO NC(=O)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726303 181225390 /nfs/dbraw/zinc/22/53/90/181225390.db2.gz JAWPEIQPMXSANV-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO Nc1c(C(=O)NCCC[NH3+])cccc1[N+](=O)[O-] ZINC000262474705 181382311 /nfs/dbraw/zinc/38/23/11/181382311.db2.gz MCKPINMIXAPGNV-UHFFFAOYSA-N 1 0 238.247 0.256 20 5 BCBDRO [NH3+]CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000223034855 181394394 /nfs/dbraw/zinc/39/43/94/181394394.db2.gz AZZZEBOKFJCIDO-UHFFFAOYSA-N 1 0 239.231 0.049 20 5 BCBDRO C[C@@H]([NH3+])Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000575293012 365279283 /nfs/dbraw/zinc/27/92/83/365279283.db2.gz FHJUUJVORBVOEF-RXMQYKEDSA-N 1 0 231.639 0.757 20 5 BCBDRO O=[N+]([O-])c1cccnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107571377 369352498 /nfs/dbraw/zinc/35/24/98/369352498.db2.gz KYFMPVFVZSMPCE-RKDXNWHRSA-N 1 0 234.259 0.645 20 5 BCBDRO Cc1cccc(C(=O)NC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000111301898 370126161 /nfs/dbraw/zinc/12/61/61/370126161.db2.gz QIBQDKTUANDTMH-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1ccnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000078834185 370605997 /nfs/dbraw/zinc/60/59/97/370605997.db2.gz AYMOEJAHPVGZNT-NXEZZACHSA-N 1 0 248.286 0.954 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000082584599 371010953 /nfs/dbraw/zinc/01/09/53/371010953.db2.gz WAQJIGSHEXWXSS-SSDOTTSWSA-N 1 0 223.232 0.672 20 5 BCBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000230067019 371647448 /nfs/dbraw/zinc/64/74/48/371647448.db2.gz AUFPOXALZMOAIT-UHFFFAOYSA-N 1 0 238.247 0.534 20 5 BCBDRO CC(C)[N@H+](C)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964875 371779081 /nfs/dbraw/zinc/77/90/81/371779081.db2.gz QVQZXEUZNMTYTA-VIFPVBQESA-N 1 0 242.279 0.492 20 5 BCBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429996 371895145 /nfs/dbraw/zinc/89/51/45/371895145.db2.gz QFYCLHSRQOJZMX-CBAPKCEASA-N 1 0 239.279 0.250 20 5 BCBDRO Cn1cc(CN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431909 371895687 /nfs/dbraw/zinc/89/56/87/371895687.db2.gz ZTQALIWZGSNTRN-MRVPVSSYSA-N 1 0 239.279 0.109 20 5 BCBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])o1 ZINC000132800377 371924911 /nfs/dbraw/zinc/92/49/11/371924911.db2.gz ISENIZVGDWJMJP-UHFFFAOYSA-N 1 0 227.220 0.609 20 5 BCBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000378185792 182118949 /nfs/dbraw/zinc/11/89/49/182118949.db2.gz YNIICASACCTCBC-UAAUVISNSA-N 1 0 239.275 0.051 20 5 BCBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000378185790 182119366 /nfs/dbraw/zinc/11/93/66/182119366.db2.gz YNIICASACCTCBC-OLFALWBMSA-N 1 0 239.275 0.051 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH3+] ZINC000041031423 374090149 /nfs/dbraw/zinc/09/01/49/374090149.db2.gz BPWFWTKBOXNPPL-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000052943196 182254079 /nfs/dbraw/zinc/25/40/79/182254079.db2.gz FPKJEQCFUARAGX-LLVKDONJSA-N 1 0 249.270 0.963 20 5 BCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000052093173 182304265 /nfs/dbraw/zinc/30/42/65/182304265.db2.gz OJAYNKLDDQTMPX-SECBINFHSA-N 1 0 235.243 0.687 20 5 BCBDRO Cc1n[nH]c(C(=O)NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000429036256 206061096 /nfs/dbraw/zinc/06/10/96/206061096.db2.gz RKNRHFXSIAMGLW-YFKPBYRVSA-N 1 0 241.251 0.093 20 5 BCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000052092924 182335499 /nfs/dbraw/zinc/33/54/99/182335499.db2.gz FGPOHSRKZDFDAX-LURJTMIESA-N 1 0 224.220 0.015 20 5 BCBDRO O=C(N[C@H]1CC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000052092827 182335973 /nfs/dbraw/zinc/33/59/73/182335973.db2.gz BLAQVFULNHXDPO-ZETCQYMHSA-N 1 0 241.272 0.748 20 5 BCBDRO O=C(N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000052093172 182336789 /nfs/dbraw/zinc/33/67/89/182336789.db2.gz PUWMRYLTVNETJR-VIFPVBQESA-N 1 0 235.243 0.687 20 5 BCBDRO O=[N+]([O-])c1cccnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107571374 182953299 /nfs/dbraw/zinc/95/32/99/182953299.db2.gz KYFMPVFVZSMPCE-DTORHVGOSA-N 1 0 234.259 0.645 20 5 BCBDRO CCC[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176208907 169165176 /nfs/dbraw/zinc/16/51/76/169165176.db2.gz LULPWQDXGPUCHA-UHFFFAOYSA-N 1 0 242.279 0.496 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000111302962 383850276 /nfs/dbraw/zinc/85/02/76/383850276.db2.gz DLTLIYVEMQKKJC-QMMMGPOBSA-N 1 0 237.259 0.601 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000050228588 383976067 /nfs/dbraw/zinc/97/60/67/383976067.db2.gz RYFOQECIOJZLMB-LURJTMIESA-N 1 0 225.204 0.361 20 5 BCBDRO CO[C@H](C)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000285681981 384199056 /nfs/dbraw/zinc/19/90/56/384199056.db2.gz NFFPBFLNPYISKT-SECBINFHSA-N 1 0 242.279 0.758 20 5 BCBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000286859297 384404359 /nfs/dbraw/zinc/40/43/59/384404359.db2.gz BWHKVZAMMQBFMJ-ZETCQYMHSA-N 1 0 241.247 0.868 20 5 BCBDRO C[N@@H+]1CC[C@H](Cn2cnc([N+](=O)[O-])n2)C1 ZINC000187681077 384381125 /nfs/dbraw/zinc/38/11/25/384381125.db2.gz OTXCVZPIXBXPBH-ZETCQYMHSA-N 1 0 211.225 0.138 20 5 BCBDRO CC(C)[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176362133 384458720 /nfs/dbraw/zinc/45/87/20/384458720.db2.gz NMSRYZVPBHFPQS-UHFFFAOYSA-N 1 0 242.279 0.494 20 5 BCBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000430916179 384549138 /nfs/dbraw/zinc/54/91/38/384549138.db2.gz GQBPOXWUCGWWSV-SECBINFHSA-N 1 0 239.279 0.085 20 5 BCBDRO CC(=O)N1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000565217984 384620248 /nfs/dbraw/zinc/62/02/48/384620248.db2.gz KVALYJGIAZVPRJ-UHFFFAOYSA-N 1 0 249.270 0.915 20 5 BCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCC2)c1 ZINC000052209465 384708878 /nfs/dbraw/zinc/70/88/78/384708878.db2.gz ISKWWQHTQNIWCB-SNVBAGLBSA-N 1 0 240.263 0.294 20 5 BCBDRO C[C@H](O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000175263333 384885773 /nfs/dbraw/zinc/88/57/73/384885773.db2.gz LKFPZKUMKWBAHF-QMMMGPOBSA-N 1 0 228.252 0.104 20 5 BCBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599002465 385084676 /nfs/dbraw/zinc/08/46/76/385084676.db2.gz BMOXKYFSOUWPPG-MGCOHNPYSA-N 1 0 249.270 0.948 20 5 BCBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])cn1C ZINC000310072851 385260100 /nfs/dbraw/zinc/26/01/00/385260100.db2.gz OXRUKLQWYIRLNG-UHFFFAOYSA-N 1 0 240.263 0.354 20 5 BCBDRO C[N@H+](C[C@@H](O)Cn1cnc([N+](=O)[O-])c1)C1CC1 ZINC000290505687 385468745 /nfs/dbraw/zinc/46/87/45/385468745.db2.gz BAPSHKNLIVCPDD-SECBINFHSA-N 1 0 240.263 0.246 20 5 BCBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000111303548 385502419 /nfs/dbraw/zinc/50/24/19/385502419.db2.gz QTZHNPGAWCWDOR-ZETCQYMHSA-N 1 0 240.263 0.400 20 5 BCBDRO C[NH2+][C@@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000261561760 385819457 /nfs/dbraw/zinc/81/94/57/385819457.db2.gz AUCREJTVCCVWHM-LURJTMIESA-N 1 0 243.288 0.994 20 5 BCBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000265028300 385877631 /nfs/dbraw/zinc/87/76/31/385877631.db2.gz KNFWPDPGUQGWGQ-SNVBAGLBSA-N 1 0 240.263 0.766 20 5 BCBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000063170296 386324685 /nfs/dbraw/zinc/32/46/85/386324685.db2.gz RYTCSBHAEDSXHR-LURJTMIESA-N 1 0 226.236 0.390 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237374345 386505267 /nfs/dbraw/zinc/50/52/67/386505267.db2.gz URSQECJWXBLUBB-QMMMGPOBSA-N 1 0 237.259 0.919 20 5 BCBDRO C[NH2+]CCNCc1csc([N+](=O)[O-])c1 ZINC000414819507 386660309 /nfs/dbraw/zinc/66/03/09/386660309.db2.gz HSARBCOWFVQWDC-UHFFFAOYSA-N 1 0 215.278 0.965 20 5 BCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000266921414 386691306 /nfs/dbraw/zinc/69/13/06/386691306.db2.gz IRDAMZYVEGNPLH-SECBINFHSA-N 1 0 240.263 0.512 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH3+])c1 ZINC000088147763 386846639 /nfs/dbraw/zinc/84/66/39/386846639.db2.gz RDLRWFIEPVSDIK-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(CO)CC1 ZINC000353171156 387148073 /nfs/dbraw/zinc/14/80/73/387148073.db2.gz SAUXAJNLCOEEIA-UHFFFAOYSA-N 1 0 240.263 0.248 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH3+] ZINC000415509612 387369778 /nfs/dbraw/zinc/36/97/78/387369778.db2.gz WYMREQAVNXEOIZ-UHFFFAOYSA-N 1 0 238.247 0.983 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237566564 387686932 /nfs/dbraw/zinc/68/69/32/387686932.db2.gz URSQECJWXBLUBB-MRVPVSSYSA-N 1 0 237.259 0.919 20 5 BCBDRO Cc1cc(C(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC000019276375 177783082 /nfs/dbraw/zinc/78/30/82/177783082.db2.gz OVGFMNKYOSPTCS-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372904982 388084578 /nfs/dbraw/zinc/08/45/78/388084578.db2.gz OTGDQXVNWKJPPA-QCLAVDOMSA-N 1 0 239.275 0.005 20 5 BCBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372904980 388084631 /nfs/dbraw/zinc/08/46/31/388084631.db2.gz OTGDQXVNWKJPPA-JXUBOQSCSA-N 1 0 239.275 0.005 20 5 BCBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000270705578 388366110 /nfs/dbraw/zinc/36/61/10/388366110.db2.gz BXGQRTYGNWJMSB-UHFFFAOYSA-N 1 0 222.248 0.740 20 5 BCBDRO Cn1c(C(=O)NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000122296357 388372990 /nfs/dbraw/zinc/37/29/90/388372990.db2.gz OJTHTNIRKCDGDA-UHFFFAOYSA-N 1 0 240.263 0.400 20 5 BCBDRO C[N@H+](CCCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000276227109 388738408 /nfs/dbraw/zinc/73/84/08/388738408.db2.gz CCDZNCMXWAIDQR-UHFFFAOYSA-N 1 0 242.279 0.496 20 5 BCBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066958722 388691810 /nfs/dbraw/zinc/69/18/10/388691810.db2.gz XFWQUNBNOQPTOJ-UHFFFAOYSA-N 1 0 241.247 0.869 20 5 BCBDRO CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cn1 ZINC000302214987 388717248 /nfs/dbraw/zinc/71/72/48/388717248.db2.gz ISECAWFTYVCPFV-UHFFFAOYSA-N 1 0 239.279 0.773 20 5 BCBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000082578848 388728216 /nfs/dbraw/zinc/72/82/16/388728216.db2.gz YVSOGKZMHJEWBG-ZCFIWIBFSA-N 1 0 226.236 0.390 20 5 BCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(O)C1 ZINC000332004148 388782443 /nfs/dbraw/zinc/78/24/43/388782443.db2.gz QJTOMEWVRXKMEF-UHFFFAOYSA-N 1 0 240.263 0.246 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])nc1 ZINC000054374949 132233875 /nfs/dbraw/zinc/23/38/75/132233875.db2.gz IOARQPWDRKCMEL-MRVPVSSYSA-N 1 0 222.248 0.788 20 5 BCBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000351951579 134016746 /nfs/dbraw/zinc/01/67/46/134016746.db2.gz LNHOCVWEZTXBLO-RKDXNWHRSA-N 1 0 240.263 0.104 20 5 BCBDRO CN(Cc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000085257409 134267404 /nfs/dbraw/zinc/26/74/04/134267404.db2.gz OGMOZQPOOCTQIF-UHFFFAOYSA-N 1 0 221.260 0.998 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000261723921 135248063 /nfs/dbraw/zinc/24/80/63/135248063.db2.gz GHKFFYWDQRICLL-MRVPVSSYSA-N 1 0 239.279 0.122 20 5 BCBDRO Cc1cc(C(=O)NCC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000261933746 135264582 /nfs/dbraw/zinc/26/45/82/135264582.db2.gz DJPKBNRMDFAZOK-UHFFFAOYSA-N 1 0 249.270 0.852 20 5 BCBDRO [NH3+]CCN(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000342387282 135270216 /nfs/dbraw/zinc/27/02/16/135270216.db2.gz MJNFEZLKWKXLOB-UHFFFAOYSA-N 1 0 239.275 0.348 20 5 BCBDRO CN1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000263710186 135361968 /nfs/dbraw/zinc/36/19/68/135361968.db2.gz HWQXHXJUSFHZSM-SNVBAGLBSA-N 1 0 249.270 0.915 20 5 BCBDRO CC[C@H](CO)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000295670415 398016259 /nfs/dbraw/zinc/01/62/59/398016259.db2.gz JGAMIIQPPMAVTR-SECBINFHSA-N 1 0 242.279 0.494 20 5 BCBDRO CC[C@@H](CO)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000295670417 398016981 /nfs/dbraw/zinc/01/69/81/398016981.db2.gz JGAMIIQPPMAVTR-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO CCOCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000093311629 170389435 /nfs/dbraw/zinc/38/94/35/170389435.db2.gz SXYJSQZGQLOART-UHFFFAOYSA-N 1 0 242.279 0.760 20 5 BCBDRO Cc1nc(NC[C@@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000420198686 411774597 /nfs/dbraw/zinc/77/45/97/411774597.db2.gz YKLSILPAKLSRBS-MRVPVSSYSA-N 1 0 239.279 1.088 20 5 BCBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000071310178 172341013 /nfs/dbraw/zinc/34/10/13/172341013.db2.gz XUSOOIDZFKLPHV-SSDOTTSWSA-N 1 0 239.231 0.622 20 5 BCBDRO CNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037207837 173278405 /nfs/dbraw/zinc/27/84/05/173278405.db2.gz GUJWNAWEQBUBGC-MRVPVSSYSA-N 1 0 237.259 0.991 20 5 BCBDRO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cn1 ZINC000273725735 173320541 /nfs/dbraw/zinc/32/05/41/173320541.db2.gz HEJVIDGZQDACNO-UHFFFAOYSA-N 1 0 225.252 0.795 20 5 BCBDRO C[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237192998 173327453 /nfs/dbraw/zinc/32/74/53/173327453.db2.gz TYWIUSFZBLQTAH-UHFFFAOYSA-N 1 0 235.243 0.703 20 5 BCBDRO C[NH2+]CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262655481 173327994 /nfs/dbraw/zinc/32/79/94/173327994.db2.gz WVYOPXMRQYRWDE-UHFFFAOYSA-N 1 0 235.243 0.703 20 5 BCBDRO C[NH2+]CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015977 173340804 /nfs/dbraw/zinc/34/08/04/173340804.db2.gz RPDFZSOLUBDWTJ-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000069801576 173352263 /nfs/dbraw/zinc/35/22/63/173352263.db2.gz KAUMKOCZGVDZAE-UHFFFAOYSA-N 1 0 226.236 0.214 20 5 BCBDRO C[NH2+]CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135223947 173355082 /nfs/dbraw/zinc/35/50/82/173355082.db2.gz ZZHLQPCPYCTKRZ-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO C[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000054244246 173355392 /nfs/dbraw/zinc/35/53/92/173355392.db2.gz AISLXNKWPSRIEY-UHFFFAOYSA-N 1 0 237.259 0.473 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054244097 173356098 /nfs/dbraw/zinc/35/60/98/173356098.db2.gz LMQQDUPKTYMGBE-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO COc1ccc(NC(=O)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000136478666 175146954 /nfs/dbraw/zinc/14/69/54/175146954.db2.gz ZPDKJQBWKMVXJT-LURJTMIESA-N 1 0 239.231 0.889 20 5 BCBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000309443954 175672769 /nfs/dbraw/zinc/67/27/69/175672769.db2.gz MJMXROZFAAMVSZ-LURJTMIESA-N 1 0 227.220 0.655 20 5 BCBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340886775 177373257 /nfs/dbraw/zinc/37/32/57/177373257.db2.gz DHVKEIXQJYJISO-IUCAKERBSA-N 1 0 240.263 0.246 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+](C)C)CC1 ZINC000397832502 262936617 /nfs/dbraw/zinc/93/66/17/262936617.db2.gz DGARFGQRUQPVJE-UHFFFAOYSA-N 1 0 239.279 0.834 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000571209958 323138603 /nfs/dbraw/zinc/13/86/03/323138603.db2.gz BVENBLQRUWDYQL-SSDOTTSWSA-N 1 0 240.263 0.258 20 5 BCBDRO CNc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000553964363 325701589 /nfs/dbraw/zinc/70/15/89/325701589.db2.gz CNBCXMQIIQMNNT-UHFFFAOYSA-N 1 0 238.247 0.325 20 5 BCBDRO O=c1c([N+](=O)[O-])cccn1CC1CC[NH2+]CC1 ZINC000564925345 325827351 /nfs/dbraw/zinc/82/73/51/325827351.db2.gz APEGCADOLMNJCV-UHFFFAOYSA-N 1 0 237.259 0.756 20 5 BCBDRO C[C@@H](C[NH3+])C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000567822080 326263676 /nfs/dbraw/zinc/26/36/76/326263676.db2.gz WMQRRTVFVZGDIV-LURJTMIESA-N 1 0 239.231 0.834 20 5 BCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000567925666 326284283 /nfs/dbraw/zinc/28/42/83/326284283.db2.gz QUCJKTQHCVBJRE-PHDIDXHHSA-N 1 0 241.251 0.174 20 5 BCBDRO O=[N+]([O-])c1ncn(CCC2CC[NH2+]CC2)n1 ZINC000157618629 326287402 /nfs/dbraw/zinc/28/74/02/326287402.db2.gz SLVHACWBNUNVQH-UHFFFAOYSA-N 1 0 225.252 0.576 20 5 BCBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000568087210 326306661 /nfs/dbraw/zinc/30/66/61/326306661.db2.gz VMVDXOYMEOTTEK-RFZPGFLSSA-N 1 0 241.251 0.092 20 5 BCBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000293505524 487555045 /nfs/dbraw/zinc/55/50/45/487555045.db2.gz UUUIFDHAZNAJET-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH3+] ZINC000111303044 588741549 /nfs/dbraw/zinc/74/15/49/588741549.db2.gz CYHIELMPVMZAHG-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000891756381 582717348 /nfs/dbraw/zinc/71/73/48/582717348.db2.gz NNHYHGINZMLQPA-SSDOTTSWSA-N 1 0 227.268 0.690 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C[C@H]2CO)c1 ZINC000880486108 583544137 /nfs/dbraw/zinc/54/41/37/583544137.db2.gz LGLRFWWLUGDLDG-VIFPVBQESA-N 1 0 238.247 0.024 20 5 BCBDRO CCC[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000899860944 584242392 /nfs/dbraw/zinc/24/23/92/584242392.db2.gz NXPMPYJVFKCKFI-UHFFFAOYSA-N 1 0 215.297 0.727 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccccc1 ZINC000899858839 584242589 /nfs/dbraw/zinc/24/25/89/584242589.db2.gz CQCAXJKORPVVHR-SNVBAGLBSA-N 1 0 210.233 0.586 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCO[C@H]1CC1(F)F ZINC000899890650 584245868 /nfs/dbraw/zinc/24/58/68/584245868.db2.gz BHILOHMQFYFWHN-LURJTMIESA-N 1 0 210.180 0.277 20 5 BCBDRO Cc1cncc(CC[NH2+]CC[N+](=O)[O-])n1 ZINC000899890995 584246076 /nfs/dbraw/zinc/24/60/76/584246076.db2.gz FXYMRUNIGPNQKU-UHFFFAOYSA-N 1 0 210.237 0.194 20 5 BCBDRO CC[C@H](CO)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000754245886 585280973 /nfs/dbraw/zinc/28/09/73/585280973.db2.gz GELYBHHDRIVTHE-SECBINFHSA-N 1 0 242.279 0.460 20 5 BCBDRO CC[C@@H](CO)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000754245887 585281054 /nfs/dbraw/zinc/28/10/54/585281054.db2.gz GELYBHHDRIVTHE-VIFPVBQESA-N 1 0 242.279 0.460 20 5 BCBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839719516 585338376 /nfs/dbraw/zinc/33/83/76/585338376.db2.gz ZLAMEPMKNZQWIZ-ZYUZMQFOSA-N 1 0 241.291 0.203 20 5 BCBDRO O=[N+]([O-])c1ncn(CC[NH+]2CCCC2)n1 ZINC000776432898 585698807 /nfs/dbraw/zinc/69/88/07/585698807.db2.gz ZXBOYFBPPYPQJW-UHFFFAOYSA-N 1 0 211.225 0.282 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000791051959 585972887 /nfs/dbraw/zinc/97/28/87/585972887.db2.gz ISOXNZQGYRACGP-BDAKNGLRSA-N 1 0 232.305 0.469 20 5 BCBDRO CCCCC[N@H+](CCO)CC[N+](=O)[O-] ZINC000791051400 585972942 /nfs/dbraw/zinc/97/29/42/585972942.db2.gz CKBMSSUOSHBEMC-UHFFFAOYSA-N 1 0 204.270 0.748 20 5 BCBDRO COC(=O)[C@@H](C)C[N@H+](C)CC[N+](=O)[O-] ZINC000791054783 585972979 /nfs/dbraw/zinc/97/29/79/585972979.db2.gz XTBFCFQGIXZKDX-ZETCQYMHSA-N 1 0 204.226 0.004 20 5 BCBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053208 585973102 /nfs/dbraw/zinc/97/31/02/585973102.db2.gz BPJWFCBQGZUHSM-QMMMGPOBSA-N 1 0 202.254 0.498 20 5 BCBDRO O=[N+]([O-])CCN1CC[NH+](C2CCCC2)CC1 ZINC000791053131 585973211 /nfs/dbraw/zinc/97/32/11/585973211.db2.gz IJLWUVMLSVEJKA-UHFFFAOYSA-N 1 0 227.308 0.823 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(n2ccnc2)CC1 ZINC000791054172 585973462 /nfs/dbraw/zinc/97/34/62/585973462.db2.gz YHAYFTBUEGGHEX-UHFFFAOYSA-N 1 0 224.264 0.797 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC2(CC1)OCCO2 ZINC000791054478 585973469 /nfs/dbraw/zinc/97/34/69/585973469.db2.gz VNKVGSOQQHIUAZ-UHFFFAOYSA-N 1 0 216.237 0.102 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000798196367 586140117 /nfs/dbraw/zinc/14/01/17/586140117.db2.gz VGTMOBCBZQRNOS-SECBINFHSA-N 1 0 230.264 0.348 20 5 BCBDRO [NH3+]C1(c2noc([C@@H]3CC3[N+](=O)[O-])n2)CCCC1 ZINC000842596389 588045149 /nfs/dbraw/zinc/04/51/49/588045149.db2.gz NCEHJHOMERUQAV-RNFRBKRXSA-N 1 0 238.247 0.930 20 5 BCBDRO C[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843059824 588077673 /nfs/dbraw/zinc/07/76/73/588077673.db2.gz OJAFNLIOASTPDW-KCJUWKMLSA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000845660153 588239714 /nfs/dbraw/zinc/23/97/14/588239714.db2.gz AUSQJOGBBNOKDZ-IVZWLZJFSA-N 1 0 242.275 0.679 20 5 BCBDRO C[C@@H]([NH3+])CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000863569799 589300759 /nfs/dbraw/zinc/30/07/59/589300759.db2.gz PNTXAOWDAVSOSX-MRVPVSSYSA-N 1 0 227.268 0.070 20 5 BCBDRO CC[NH2+]Cc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642001 589386818 /nfs/dbraw/zinc/38/68/18/589386818.db2.gz GGQJHOKHQNYQBQ-UHFFFAOYSA-N 1 0 227.268 0.443 20 5 BCBDRO CC[C@@](C)([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642253 589387094 /nfs/dbraw/zinc/38/70/94/589387094.db2.gz LFRMGQRKGQTHFV-SNVBAGLBSA-N 1 0 241.295 0.917 20 5 BCBDRO C[C@H](O)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877120533 590289009 /nfs/dbraw/zinc/28/90/09/590289009.db2.gz HDOGEDBBFGDCCS-UEJVZZJDSA-N 1 0 240.263 0.465 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]1CO ZINC000885988760 592122938 /nfs/dbraw/zinc/12/29/38/592122938.db2.gz NTRUAUYLZNFEKJ-JTQLQIEISA-N 1 0 237.259 0.947 20 5 BCBDRO [NH3+]C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827270 592349972 /nfs/dbraw/zinc/34/99/72/592349972.db2.gz IJQMVEMTTKEZQW-SECBINFHSA-N 1 0 236.275 0.770 20 5 BCBDRO CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000052345275 632130191 /nfs/dbraw/zinc/13/01/91/632130191.db2.gz ZTXNDWUWNLHXIT-UHFFFAOYSA-N 1 0 208.221 0.839 20 5 BCBDRO CC1(C)C[C@H](O)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930651112 633987018 /nfs/dbraw/zinc/98/70/18/633987018.db2.gz QUBGYPAJIGODIZ-SECBINFHSA-N 1 0 216.281 0.746 20 5 BCBDRO C[C@@H]1COC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000925563157 634048245 /nfs/dbraw/zinc/04/82/45/634048245.db2.gz ASFSVGHWVDFBSY-PSASIEDQSA-N 1 0 240.263 0.416 20 5 BCBDRO O=[N+]([O-])CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000791054285 635763344 /nfs/dbraw/zinc/76/33/44/635763344.db2.gz ZHNBMWXCKKSCQD-JTQLQIEISA-N 1 0 213.281 0.433 20 5 BCBDRO O=[N+]([O-])CCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000791054190 635763446 /nfs/dbraw/zinc/76/34/46/635763446.db2.gz YJUXINRMSIQECX-RQJHMYQMSA-N 1 0 242.197 0.651 20 5 BCBDRO O=[N+]([O-])c1cnn(CCC[NH2+]C2CC2)c1 ZINC000042409758 637231016 /nfs/dbraw/zinc/23/10/16/637231016.db2.gz SHRYLUNRRQQZKR-UHFFFAOYSA-N 1 0 210.237 0.933 20 5 BCBDRO O=[N+]([O-])CCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000905047738 637566300 /nfs/dbraw/zinc/56/63/00/637566300.db2.gz VWYOQLOMVGJETN-UWVGGRQHSA-N 1 0 213.281 0.480 20 5 BCBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])c1cccs1 ZINC000905051732 637569397 /nfs/dbraw/zinc/56/93/97/637569397.db2.gz HEAJQCIOPNBHMD-UHFFFAOYSA-N 1 0 243.288 0.344 20 5 BCBDRO C[C@H](CNCC[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000905055970 637588843 /nfs/dbraw/zinc/58/88/43/637588843.db2.gz UWGYORJRHCQIQM-LLVKDONJSA-N 1 0 229.324 0.975 20 5 BCBDRO CC(C)[NH2+]Cc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000905059950 637596346 /nfs/dbraw/zinc/59/63/46/637596346.db2.gz ZDEGBVAUZZTERW-UHFFFAOYSA-N 1 0 241.295 0.831 20 5 BCBDRO COC(=O)CCCC[NH2+]CC[N+](=O)[O-] ZINC000905065944 637598440 /nfs/dbraw/zinc/59/84/40/637598440.db2.gz RIZIIZYRXXXADG-UHFFFAOYSA-N 1 0 204.226 0.196 20 5 BCBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCC[N+](=O)[O-] ZINC000905068360 637600993 /nfs/dbraw/zinc/60/09/93/637600993.db2.gz OICRNGPPZYBPHD-QWRGUYRKSA-N 1 0 229.324 0.973 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000905074970 637606758 /nfs/dbraw/zinc/60/67/58/637606758.db2.gz GZTQUSVNRXSTMM-UHFFFAOYSA-N 1 0 237.250 0.582 20 5 BCBDRO CC[N@H+](CCNCC[N+](=O)[O-])C(C)C ZINC000905109700 637618213 /nfs/dbraw/zinc/61/82/13/637618213.db2.gz FHDQKNIOYGARTP-UHFFFAOYSA-N 1 0 203.286 0.583 20 5 BCBDRO COC(=O)C1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905095693 637634275 /nfs/dbraw/zinc/63/42/75/637634275.db2.gz KJHPMEARHXRLLJ-UHFFFAOYSA-N 1 0 230.264 0.585 20 5 BCBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]CC[N+](=O)[O-] ZINC000905158074 637638319 /nfs/dbraw/zinc/63/83/19/637638319.db2.gz DLOMRUSIVWNYAP-BDAKNGLRSA-N 1 0 218.253 0.047 20 5 BCBDRO Cc1nccn1CCCC[NH2+]CC[N+](=O)[O-] ZINC000905135098 637645284 /nfs/dbraw/zinc/64/52/84/637645284.db2.gz UYSBHZZCJPSAIB-UHFFFAOYSA-N 1 0 226.280 0.838 20 5 BCBDRO CC(C)(CCCO)C[NH2+]CC[N+](=O)[O-] ZINC000905194278 637670642 /nfs/dbraw/zinc/67/06/42/637670642.db2.gz IXSAXRHFKYZYSJ-UHFFFAOYSA-N 1 0 204.270 0.651 20 5 BCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC[N+](=O)[O-] ZINC000905161254 637673140 /nfs/dbraw/zinc/67/31/40/637673140.db2.gz WHFZFWHHZKYZES-PSASIEDQSA-N 1 0 213.281 0.335 20 5 BCBDRO CC1(C)OC[C@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905168541 637679345 /nfs/dbraw/zinc/67/93/45/637679345.db2.gz MDJKWAHWTMXBAI-ZETCQYMHSA-N 1 0 204.226 0.004 20 5 BCBDRO CC[C@@H](C)[C@H](C[NH2+]CC[N+](=O)[O-])OC ZINC000905273072 637732397 /nfs/dbraw/zinc/73/23/97/637732397.db2.gz KBWREJOCUACVEN-BDAKNGLRSA-N 1 0 204.270 0.914 20 5 BCBDRO CO[C@@H]([C@@H](C)[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905278027 637735071 /nfs/dbraw/zinc/73/50/71/637735071.db2.gz BEJZPTCAIRDZOP-APPZFPTMSA-N 1 0 202.254 0.666 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000905289013 637739501 /nfs/dbraw/zinc/73/95/01/637739501.db2.gz POLXLWQBJQOSEE-ZETCQYMHSA-N 1 0 223.223 0.192 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000905289012 637740291 /nfs/dbraw/zinc/74/02/91/637740291.db2.gz POLXLWQBJQOSEE-SSDOTTSWSA-N 1 0 223.223 0.192 20 5 BCBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905345089 637767614 /nfs/dbraw/zinc/76/76/14/637767614.db2.gz LFUPJXZBIPTYDA-GXSJLCMTSA-N 1 0 224.260 0.975 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@@H](O)C(F)(F)F ZINC000905349656 637768809 /nfs/dbraw/zinc/76/88/09/637768809.db2.gz KOHJNCWSJSGDJD-RXMQYKEDSA-N 1 0 216.159 0.166 20 5 BCBDRO CC[C@@H](C)C[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905358833 637777070 /nfs/dbraw/zinc/77/70/70/637777070.db2.gz QUPDIUNWGDLYDG-RKDXNWHRSA-N 1 0 204.270 0.650 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000905340957 637782709 /nfs/dbraw/zinc/78/27/09/637782709.db2.gz KKMCLXATXUNUSX-SNVBAGLBSA-N 1 0 228.223 0.725 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1cccnc1 ZINC000905364917 637787691 /nfs/dbraw/zinc/78/76/91/637787691.db2.gz HGDPZAYUWBSARX-NSHDSACASA-N 1 0 239.275 0.099 20 5 BCBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905365280 637787940 /nfs/dbraw/zinc/78/79/40/637787940.db2.gz IPWSXGVYRBXXIM-VIFPVBQESA-N 1 0 218.297 0.896 20 5 BCBDRO CCC[N@@H+]1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905372564 637791326 /nfs/dbraw/zinc/79/13/26/637791326.db2.gz NNZHDPUFOCVOPZ-SECBINFHSA-N 1 0 201.270 0.337 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](CO)CC1CCC1 ZINC000905371728 637791476 /nfs/dbraw/zinc/79/14/76/637791476.db2.gz ICSZJIUMAZWCNY-SECBINFHSA-N 1 0 202.254 0.404 20 5 BCBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)C(C)C ZINC000905375729 637792769 /nfs/dbraw/zinc/79/27/69/637792769.db2.gz ZJEDEFRKYZDTNW-IUCAKERBSA-N 1 0 204.270 0.648 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000905404986 637796563 /nfs/dbraw/zinc/79/65/63/637796563.db2.gz MNLIQYHUNYPART-SNVBAGLBSA-N 1 0 244.291 0.438 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCSC1 ZINC000905401243 637797018 /nfs/dbraw/zinc/79/70/18/637797018.db2.gz XPBPFQMTHDVQBW-QMMMGPOBSA-N 1 0 204.295 0.996 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000905409827 637798237 /nfs/dbraw/zinc/79/82/37/637798237.db2.gz WYCHBXZMPNULTQ-KXUCPTDWSA-N 1 0 214.265 0.810 20 5 BCBDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905415149 637803284 /nfs/dbraw/zinc/80/32/84/637803284.db2.gz FKUBEIRVRRAQOG-KYZUINATSA-N 1 0 244.291 0.973 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1ccns1 ZINC000905420381 637805034 /nfs/dbraw/zinc/80/50/34/637805034.db2.gz ZCYHLUMZQZDLEL-UHFFFAOYSA-N 1 0 201.251 0.552 20 5 BCBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCCCO1 ZINC000905597628 637858869 /nfs/dbraw/zinc/85/88/69/637858869.db2.gz SIHFEDIMNRLKOG-VIFPVBQESA-N 1 0 202.254 0.812 20 5 BCBDRO COC[C@@H](C[NH2+]CC[N+](=O)[O-])C(C)C ZINC000905617690 637868527 /nfs/dbraw/zinc/86/85/27/637868527.db2.gz QYQPDNBCPNIFPN-SECBINFHSA-N 1 0 204.270 0.771 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H]1C[NH2+]C[C@H]1C ZINC000905731621 637900772 /nfs/dbraw/zinc/90/07/72/637900772.db2.gz MUESEISQSIHCOL-APPZFPTMSA-N 1 0 224.264 0.955 20 5 BCBDRO C[C@H]1CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971887 637986119 /nfs/dbraw/zinc/98/61/19/637986119.db2.gz DNEGIIJBUOQSEN-WPRPVWTQSA-N 1 0 240.263 0.246 20 5 BCBDRO CN(CCC[NH+]1CCCC1)CC[N+](=O)[O-] ZINC000930310536 639696186 /nfs/dbraw/zinc/69/61/86/639696186.db2.gz HZWVTFZAFBZARR-UHFFFAOYSA-N 1 0 215.297 0.681 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000930366759 639732024 /nfs/dbraw/zinc/73/20/24/639732024.db2.gz YMLNDMPVVMUDLU-ZJUUUORDSA-N 1 0 214.265 0.907 20 5 BCBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC[N+](=O)[O-] ZINC000930454636 639760047 /nfs/dbraw/zinc/76/00/47/639760047.db2.gz HQCKIGDUZLELFM-QWRGUYRKSA-N 1 0 243.307 0.058 20 5 BCBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930471825 639768692 /nfs/dbraw/zinc/76/86/92/639768692.db2.gz RKCNCUCVXOJCIO-JTQLQIEISA-N 1 0 243.307 0.644 20 5 BCBDRO CC(C)[NH2+]C1(CO)CCN(CC[N+](=O)[O-])CC1 ZINC000930614750 639823133 /nfs/dbraw/zinc/82/31/33/639823133.db2.gz HLIHJCLCWBVCBS-UHFFFAOYSA-N 1 0 245.323 0.088 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000930631424 639831527 /nfs/dbraw/zinc/83/15/27/639831527.db2.gz DHMQAFVULPFQSS-OPRDCNLKSA-N 1 0 226.276 0.810 20 5 BCBDRO CO[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1C ZINC000930634850 639834009 /nfs/dbraw/zinc/83/40/09/639834009.db2.gz OQEDJDAOWZKAMT-RKDXNWHRSA-N 1 0 202.254 0.620 20 5 BCBDRO O=[N+]([O-])CCN1CCC(c2ccncn2)CC1 ZINC000930708986 639873812 /nfs/dbraw/zinc/87/38/12/639873812.db2.gz HGWKYWINRGFBQR-UHFFFAOYSA-N 1 0 236.275 0.933 20 5 BCBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC[N+](=O)[O-])C1 ZINC000930928203 639992935 /nfs/dbraw/zinc/99/29/35/639992935.db2.gz OQUHBGDQDKFYRK-AXFHLTTASA-N 1 0 246.307 0.419 20 5 BCBDRO C[C@H]1CCC[N@H+](CC[N+](=O)[O-])[C@H]1CCO ZINC000930972225 640007422 /nfs/dbraw/zinc/00/74/22/640007422.db2.gz YMCDTICWVBCJIK-UWVGGRQHSA-N 1 0 216.281 0.746 20 5 BCBDRO C[C@H]1C[NH+](CC[N+](=O)[O-])C[C@H](C)C1O ZINC000930997424 640016269 /nfs/dbraw/zinc/01/62/69/640016269.db2.gz YBCNTURSQBRLSV-YUMQZZPRSA-N 1 0 202.254 0.212 20 5 BCBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000931075711 640059790 /nfs/dbraw/zinc/05/97/90/640059790.db2.gz JFTWVKJQBZMLSS-SFYZADRCSA-N 1 0 216.237 0.194 20 5 BCBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1CO ZINC000931102859 640066778 /nfs/dbraw/zinc/06/67/78/640066778.db2.gz HYVOYOZXLHPZPA-DTWKUNHWSA-N 1 0 202.254 0.213 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000931381959 640172068 /nfs/dbraw/zinc/17/20/68/640172068.db2.gz KFROUBBGHYYPDN-RKDXNWHRSA-N 1 0 202.254 0.498 20 5 BCBDRO COC(=O)[C@@]1(C)C[N@H+](CC[N+](=O)[O-])C[C@@H]1C ZINC000931379366 640172926 /nfs/dbraw/zinc/17/29/26/640172926.db2.gz IGBCHHJENYANBC-WPRPVWTQSA-N 1 0 230.264 0.394 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(CCO)(CCO)CC1 ZINC000931468994 640226250 /nfs/dbraw/zinc/22/62/50/640226250.db2.gz LIBDUCDOHZEHMG-UHFFFAOYSA-N 1 0 246.307 0.110 20 5 BCBDRO CC[C@]1(O)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931476083 640232050 /nfs/dbraw/zinc/23/20/50/640232050.db2.gz NFDJPSZIJKIHSS-VIFPVBQESA-N 1 0 202.254 0.500 20 5 BCBDRO CC1([NH+]2CCC2)CCN(CC[N+](=O)[O-])CC1 ZINC000931700940 640324483 /nfs/dbraw/zinc/32/44/83/640324483.db2.gz SZTPSKVWWKDBFI-UHFFFAOYSA-N 1 0 227.308 0.823 20 5 BCBDRO CC[NH2+]CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000044649437 640445656 /nfs/dbraw/zinc/44/56/56/640445656.db2.gz NLHVWJAIHMYPON-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO COC[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000229092927 640921695 /nfs/dbraw/zinc/92/16/95/640921695.db2.gz HVMHCNHIXWRZJR-SNVBAGLBSA-N 1 0 240.259 0.692 20 5 BCBDRO CC(C)[N@@H+]1CCCN(CC[N+](=O)[O-])CC1 ZINC000929493173 641334147 /nfs/dbraw/zinc/33/41/47/641334147.db2.gz PSMATPRSEUTSRH-UHFFFAOYSA-N 1 0 215.297 0.679 20 5 BCBDRO CCC[N@H+](CC[N+](=O)[O-])CC(C)(C)O ZINC000929526150 641344682 /nfs/dbraw/zinc/34/46/82/641344682.db2.gz OFTRXXWGKVHGAD-UHFFFAOYSA-N 1 0 204.270 0.746 20 5 BCBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC[N+](=O)[O-] ZINC000929815742 641664126 /nfs/dbraw/zinc/66/41/26/641664126.db2.gz VCENYIUEKRVWMA-MNOVXSKESA-N 1 0 227.308 0.822 20 5 BCBDRO COC(=O)CC(C)(C)[NH2+]CC[N+](=O)[O-] ZINC000930032791 642227953 /nfs/dbraw/zinc/22/79/53/642227953.db2.gz BKWFIERNNMYYEG-UHFFFAOYSA-N 1 0 204.226 0.194 20 5 BCBDRO C[C@H](O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930059945 642299953 /nfs/dbraw/zinc/29/99/53/642299953.db2.gz HBISYQUAWNWLBT-IUCAKERBSA-N 1 0 202.254 0.356 20 5 BCBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000932486969 643311220 /nfs/dbraw/zinc/31/12/20/643311220.db2.gz FNRWRXOBQWVRBO-APPZFPTMSA-N 1 0 240.263 0.453 20 5 BCBDRO C[NH+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822147963 645039933 /nfs/dbraw/zinc/03/99/33/645039933.db2.gz DSTPAFSTVTWCON-UHFFFAOYSA-N 1 0 231.296 0.500 20 5 BCBDRO O=[N+]([O-])CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000929129387 645961989 /nfs/dbraw/zinc/96/19/89/645961989.db2.gz OKYWUHVKADGJQV-NSHDSACASA-N 1 0 243.307 0.060 20 5 BCBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929475546 646134419 /nfs/dbraw/zinc/13/44/19/646134419.db2.gz ZBKXTZIAQCQFQB-VIFPVBQESA-N 1 0 230.264 0.681 20 5 BCBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929594944 646190331 /nfs/dbraw/zinc/19/03/31/646190331.db2.gz KRARSPJDAIKJPF-DTWKUNHWSA-N 1 0 202.254 0.498 20 5 BCBDRO C[NH+](C)C[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929637696 646217149 /nfs/dbraw/zinc/21/71/49/646217149.db2.gz MXDPRZZVWMLLTG-SECBINFHSA-N 1 0 201.270 0.147 20 5 BCBDRO CN(CC[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000929700310 646255489 /nfs/dbraw/zinc/25/54/89/646255489.db2.gz ZQRFGDQSGJNRPF-SNVBAGLBSA-N 1 0 215.297 0.537 20 5 BCBDRO CCC(CC)(C[NH2+]CC[N+](=O)[O-])C(=O)OC ZINC000930083886 646424244 /nfs/dbraw/zinc/42/42/44/646424244.db2.gz NGLHCNGVYAVWPS-UHFFFAOYSA-N 1 0 232.280 0.832 20 5 BCBDRO CS[C@H]1CN(CC[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000930128688 646452458 /nfs/dbraw/zinc/45/24/58/646452458.db2.gz NIODLWYWQUJBOW-IUCAKERBSA-N 1 0 233.337 0.241 20 5 BCBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930163685 646466796 /nfs/dbraw/zinc/46/67/96/646466796.db2.gz VAEZFCVXOYJVDK-DTWKUNHWSA-N 1 0 201.270 0.288 20 5 BCBDRO C[NH+](C)C[C@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000717282066 712644650 /nfs/dbraw/zinc/64/46/50/712644650.db2.gz VNFKQLPJCDZVNT-SSDOTTSWSA-N 1 0 245.304 0.991 20 5 BCBDRO C[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000712594038 712435090 /nfs/dbraw/zinc/43/50/90/712435090.db2.gz KCOWKEKFXUGIND-ZETCQYMHSA-N 1 0 223.236 0.501 20 5 BCBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000717365625 712652719 /nfs/dbraw/zinc/65/27/19/712652719.db2.gz NGACTPAGMYBDGA-NSHDSACASA-N 1 0 239.275 0.929 20 5 BCBDRO C[NH2+][C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000576288811 365553486 /nfs/dbraw/zinc/55/34/86/365553486.db2.gz FUVUGZPMEQWLQT-VIFPVBQESA-N 1 0 249.226 0.446 20 5 BCBDRO O=[N+]([O-])c1cc(C[NH2+]CCO)cs1 ZINC000037472346 342935786 /nfs/dbraw/zinc/93/57/86/342935786.db2.gz WJYXWHHCWJVFAN-UHFFFAOYSA-N 1 0 202.235 0.738 20 5 BCBDRO CO[C@H](C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611337017 344476750 /nfs/dbraw/zinc/47/67/50/344476750.db2.gz REEMBTYWQZBTOY-RKDXNWHRSA-N 1 0 242.279 0.804 20 5 BCBDRO C[NH2+]CCCn1cccc([N+](=O)[O-])c1=O ZINC000050453342 344692077 /nfs/dbraw/zinc/69/20/77/344692077.db2.gz VCTARZZNQSBOBF-UHFFFAOYSA-N 1 0 211.221 0.366 20 5 BCBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363208625 344931213 /nfs/dbraw/zinc/93/12/13/344931213.db2.gz DPCIZNGTYUNXHX-ZJUUUORDSA-N 1 0 241.291 0.206 20 5 BCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000381763335 346024904 /nfs/dbraw/zinc/02/49/04/346024904.db2.gz OXOMDCCJUTZEOU-PHDIDXHHSA-N 1 0 226.236 0.388 20 5 BCBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H]1CC[NH2+]C1 ZINC000592169376 347747298 /nfs/dbraw/zinc/74/72/98/347747298.db2.gz ZLCLOOJJDGOJQL-SECBINFHSA-N 1 0 237.259 0.674 20 5 BCBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000595962437 348406006 /nfs/dbraw/zinc/40/60/06/348406006.db2.gz RLXPFDFCOAWIDL-UHFFFAOYSA-N 1 0 240.263 0.732 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000595981852 348416944 /nfs/dbraw/zinc/41/69/44/348416944.db2.gz GCMSHGBXIXGTIY-LURJTMIESA-N 1 0 243.288 0.994 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000595982627 348417408 /nfs/dbraw/zinc/41/74/08/348417408.db2.gz KGTDUYNIJGXHNN-ZCFIWIBFSA-N 1 0 226.236 0.261 20 5 BCBDRO C[NH+](C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])s1 ZINC000596244098 348485746 /nfs/dbraw/zinc/48/57/46/348485746.db2.gz PDMMECBNMNOUKU-LURJTMIESA-N 1 0 246.292 0.386 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](O)C2)c1 ZINC000205425460 348515365 /nfs/dbraw/zinc/51/53/65/348515365.db2.gz RRYHZHBUPJFIBQ-SNVBAGLBSA-N 1 0 240.263 0.248 20 5 BCBDRO C[NH2+]CCNc1ncc([N+](=O)[O-])cc1F ZINC000420170992 192167799 /nfs/dbraw/zinc/16/77/99/192167799.db2.gz YMOLGCQNGAOBFM-UHFFFAOYSA-N 1 0 214.200 0.760 20 5 BCBDRO CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])cn1C ZINC000122220163 362945710 /nfs/dbraw/zinc/94/57/10/362945710.db2.gz JWWUCPIQLZAJKJ-UHFFFAOYSA-N 1 0 240.263 0.354 20 5 BCBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000063170282 351265895 /nfs/dbraw/zinc/26/58/95/351265895.db2.gz XKMIRGJCFUOASA-LURJTMIESA-N 1 0 226.236 0.390 20 5 BCBDRO Cc1c(CNC(N)=[NH2+])cccc1[N+](=O)[O-] ZINC000231865026 351416376 /nfs/dbraw/zinc/41/63/76/351416376.db2.gz JRPKVAJASDKVJY-UHFFFAOYSA-N 1 0 208.221 0.886 20 5 BCBDRO O=C(C[NH2+]C1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943245 353137190 /nfs/dbraw/zinc/13/71/90/353137190.db2.gz CDHSEGBUXCXIDS-UHFFFAOYSA-N 1 0 249.270 0.963 20 5 BCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])o1 ZINC000252421345 363239759 /nfs/dbraw/zinc/23/97/59/363239759.db2.gz ZBQGPNFRYZHUIC-KPCSLPGQSA-N 1 0 237.215 0.135 20 5 BCBDRO C[C@H](Cn1cc([N+](=O)[O-])cc(F)c1=O)[NH+](C)C ZINC000583564240 355645956 /nfs/dbraw/zinc/64/59/56/355645956.db2.gz HPPSGPZXOMDFDH-SSDOTTSWSA-N 1 0 243.238 0.846 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000074533063 356605833 /nfs/dbraw/zinc/60/58/33/356605833.db2.gz JDHLQRRJIYOLDZ-SSDOTTSWSA-N 1 0 223.232 0.672 20 5 BCBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H](C)[NH2+]1 ZINC000053712203 357156450 /nfs/dbraw/zinc/15/64/50/357156450.db2.gz ZRTUULPYAZEMIO-OCAPTIKFSA-N 1 0 239.279 0.515 20 5 BCBDRO C[N@@H+]1CC[C@H](Cn2cnc([N+](=O)[O-])c2)C1 ZINC000191063260 357746166 /nfs/dbraw/zinc/74/61/66/357746166.db2.gz GNQHMYCNHACAPL-QMMMGPOBSA-N 1 0 210.237 0.743 20 5 BCBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)CO ZINC000610485248 357957305 /nfs/dbraw/zinc/95/73/05/357957305.db2.gz ZOSKXRQFJOGJRI-UHFFFAOYSA-N 1 0 242.279 0.494 20 5 BCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000046381335 358575282 /nfs/dbraw/zinc/57/52/82/358575282.db2.gz NOBMOCUZWGVQKZ-ZETCQYMHSA-N 1 0 240.263 0.603 20 5 BCBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000054263183 359760472 /nfs/dbraw/zinc/76/04/72/359760472.db2.gz BCMGQXHABDBNMQ-UHFFFAOYSA-N 1 0 240.263 0.273 20 5 BCBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000429409522 201105595 /nfs/dbraw/zinc/10/55/95/201105595.db2.gz RIDHWXQEOCNQBX-HTQZYQBOSA-N 1 0 240.263 0.595 20 5 BCBDRO NC(=O)C1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000152444394 201199294 /nfs/dbraw/zinc/19/92/94/201199294.db2.gz MJNRJDCJQJEBNF-UHFFFAOYSA-N 1 0 241.272 0.764 20 5 BCBDRO [NH3+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237947453 181351030 /nfs/dbraw/zinc/35/10/30/181351030.db2.gz CXPRNZSOPLBFHP-UHFFFAOYSA-N 1 0 221.216 0.443 20 5 BCBDRO [NH3+]CCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015945 181372420 /nfs/dbraw/zinc/37/24/20/181372420.db2.gz KOOIIIPVNZXJFT-UHFFFAOYSA-N 1 0 237.259 0.950 20 5 BCBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000037714521 181377869 /nfs/dbraw/zinc/37/78/69/181377869.db2.gz TWFHQFFUQUBZHJ-UHFFFAOYSA-N 1 0 227.220 0.657 20 5 BCBDRO [NH3+]CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135213461 181381174 /nfs/dbraw/zinc/38/11/74/181381174.db2.gz BHVPIWQLXYODRQ-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO [NH3+]CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000051355024 181381466 /nfs/dbraw/zinc/38/14/66/181381466.db2.gz ZTNADTMNYGJLSL-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO C[C@H](O)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000574565840 365091043 /nfs/dbraw/zinc/09/10/43/365091043.db2.gz FCAKDVJRSWRICQ-YUMQZZPRSA-N 1 0 228.252 0.150 20 5 BCBDRO [NH3+]CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000237875074 181394620 /nfs/dbraw/zinc/39/46/20/181394620.db2.gz JBIKOWHQYDGCLE-UHFFFAOYSA-N 1 0 239.231 0.049 20 5 BCBDRO O=C([C@H]1CC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000444122262 193035644 /nfs/dbraw/zinc/03/56/44/193035644.db2.gz JVMPTDWEJWICMO-SECBINFHSA-N 1 0 247.254 0.846 20 5 BCBDRO C[C@H](CCC[NH3+])NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000581011082 367233762 /nfs/dbraw/zinc/23/37/62/367233762.db2.gz JONZREJVJQKNDO-ZCFIWIBFSA-N 1 0 241.251 0.175 20 5 BCBDRO C[C@H]([NH3+])CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000581251750 367309418 /nfs/dbraw/zinc/30/94/18/367309418.db2.gz KYZRNQAKOLHZJQ-QMMMGPOBSA-N 1 0 236.275 0.695 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH3+] ZINC000111302010 370125402 /nfs/dbraw/zinc/12/54/02/370125402.db2.gz NRBAXGYCFCNBPJ-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1c(C(=O)NC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000111301925 370125521 /nfs/dbraw/zinc/12/55/21/370125521.db2.gz CSVMQQCZTYMMBJ-ZETCQYMHSA-N 1 0 237.259 0.980 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000082584509 371011990 /nfs/dbraw/zinc/01/19/90/371011990.db2.gz VHLVHHUIBIMNEU-ZCFIWIBFSA-N 1 0 226.236 0.010 20 5 BCBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000041028422 181577798 /nfs/dbraw/zinc/57/77/98/181577798.db2.gz GPLZEAUWSYVJBZ-SSDOTTSWSA-N 1 0 239.231 0.751 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000050228284 181650468 /nfs/dbraw/zinc/65/04/68/181650468.db2.gz FTRZGHNBPPYXAW-QMMMGPOBSA-N 1 0 235.243 0.768 20 5 BCBDRO CC(C)[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000156271367 371370305 /nfs/dbraw/zinc/37/03/05/371370305.db2.gz FGAMZFSKMFFNQJ-SNVBAGLBSA-N 1 0 242.279 0.398 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCO ZINC000302538407 371581480 /nfs/dbraw/zinc/58/14/80/371581480.db2.gz YHSQFADYUAAGHM-UHFFFAOYSA-N 1 0 242.279 0.414 20 5 BCBDRO Nc1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc1[N+](=O)[O-] ZINC000600888551 371708734 /nfs/dbraw/zinc/70/87/34/371708734.db2.gz ZIXQKIRSQDDBJY-BQBZGAKWSA-N 1 0 235.247 0.123 20 5 BCBDRO CC[N@H+](C)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601965988 371779741 /nfs/dbraw/zinc/77/97/41/371779741.db2.gz VITJUPGAVLKPSI-MRVPVSSYSA-N 1 0 228.252 0.104 20 5 BCBDRO CC[N@H+](C)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601965989 371779817 /nfs/dbraw/zinc/77/98/17/371779817.db2.gz VITJUPGAVLKPSI-QMMMGPOBSA-N 1 0 228.252 0.104 20 5 BCBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602554348 371820881 /nfs/dbraw/zinc/82/08/81/371820881.db2.gz HARXOXTULQFQCL-SFYZADRCSA-N 1 0 242.279 0.435 20 5 BCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602601431 371824136 /nfs/dbraw/zinc/82/41/36/371824136.db2.gz LQLLMLFQUAXPMO-ONGXEEELSA-N 1 0 247.254 0.781 20 5 BCBDRO Cn1cc(CN2CCC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000603430089 371895166 /nfs/dbraw/zinc/89/51/66/371895166.db2.gz RQGUAFAPIJKJFE-UHFFFAOYSA-N 1 0 239.279 0.124 20 5 BCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000126944094 182042763 /nfs/dbraw/zinc/04/27/63/182042763.db2.gz KOHOHXJREGLQDL-SNVBAGLBSA-N 1 0 249.270 0.615 20 5 BCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000052093052 182046349 /nfs/dbraw/zinc/04/63/49/182046349.db2.gz FKOLSXDRZSKLKF-JTQLQIEISA-N 1 0 249.270 0.615 20 5 BCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000019435629 182046662 /nfs/dbraw/zinc/04/66/62/182046662.db2.gz PZMVCAZZISBJAF-UHFFFAOYSA-N 1 0 249.270 0.569 20 5 BCBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000036962397 182115394 /nfs/dbraw/zinc/11/53/94/182115394.db2.gz SKJFPLCVHAGDIN-UHFFFAOYSA-N 1 0 239.231 0.670 20 5 BCBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054265473 182188894 /nfs/dbraw/zinc/18/88/94/182188894.db2.gz YRKJRSCJQNIVLV-UHFFFAOYSA-N 1 0 238.247 0.405 20 5 BCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000062116734 182258885 /nfs/dbraw/zinc/25/88/85/182258885.db2.gz CJGFQDAGIPTUPL-SNVBAGLBSA-N 1 0 249.270 0.821 20 5 BCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000052093080 182335494 /nfs/dbraw/zinc/33/54/94/182335494.db2.gz XKDBQIIFQOWIBC-LURJTMIESA-N 1 0 241.272 0.748 20 5 BCBDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000111302903 383850216 /nfs/dbraw/zinc/85/02/16/383850216.db2.gz SLHGQEQJVMETHI-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2)c1 ZINC000088147198 383881292 /nfs/dbraw/zinc/88/12/92/383881292.db2.gz VOBWVJBVWDLJPK-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO COC[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000111892866 383884101 /nfs/dbraw/zinc/88/41/01/383884101.db2.gz FFJZZPIFOQSLDC-LLVKDONJSA-N 1 0 240.259 0.692 20 5 BCBDRO CC[C@H]([NH3+])CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000518532043 383987723 /nfs/dbraw/zinc/98/77/23/383987723.db2.gz QJLWTEWYFPULSR-LURJTMIESA-N 1 0 241.251 0.093 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000050228584 383976669 /nfs/dbraw/zinc/97/66/69/383976669.db2.gz VWYBOKMRYVVVLN-LURJTMIESA-N 1 0 241.272 0.830 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000050228276 383977030 /nfs/dbraw/zinc/97/70/30/383977030.db2.gz FXLJQRAFERGZBH-VIFPVBQESA-N 1 0 235.243 0.768 20 5 BCBDRO O=C1NCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000050394707 384017161 /nfs/dbraw/zinc/01/71/61/384017161.db2.gz SPGLBYBZKPIFTH-NSHDSACASA-N 1 0 249.270 0.963 20 5 BCBDRO CO[C@@H](C)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000285681984 384198453 /nfs/dbraw/zinc/19/84/53/384198453.db2.gz NFFPBFLNPYISKT-VIFPVBQESA-N 1 0 242.279 0.758 20 5 BCBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000336645935 384244484 /nfs/dbraw/zinc/24/44/84/384244484.db2.gz DJSKCSYKRCBBNM-LURJTMIESA-N 1 0 226.236 0.390 20 5 BCBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)CO)c1 ZINC000083354415 384499094 /nfs/dbraw/zinc/49/90/94/384499094.db2.gz CMOIVBJVAVTHME-SNVBAGLBSA-N 1 0 226.232 0.038 20 5 BCBDRO COC[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000070980131 384487691 /nfs/dbraw/zinc/48/76/91/384487691.db2.gz VTWVZKSONMMFMQ-SNVBAGLBSA-N 1 0 240.259 0.692 20 5 BCBDRO C[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015920 384582385 /nfs/dbraw/zinc/58/23/85/384582385.db2.gz JHHLEHQSFWPLIK-ZETCQYMHSA-N 1 0 223.232 0.558 20 5 BCBDRO O=C1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1 ZINC000104354017 384679660 /nfs/dbraw/zinc/67/96/60/384679660.db2.gz JNCAWIQCYWVCBJ-SNVBAGLBSA-N 1 0 249.270 0.963 20 5 BCBDRO CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361374003 384690575 /nfs/dbraw/zinc/69/05/75/384690575.db2.gz VUGLSVBPUMQDBC-SNVBAGLBSA-N 1 0 240.263 0.512 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](O)C2)n1 ZINC000176190091 385036056 /nfs/dbraw/zinc/03/60/56/385036056.db2.gz YKXPLEAVBHWIPE-SECBINFHSA-N 1 0 240.263 0.248 20 5 BCBDRO C[C@@H](CO)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000338591759 385259727 /nfs/dbraw/zinc/25/97/27/385259727.db2.gz IBZOYNFUGQCCNF-ZETCQYMHSA-N 1 0 228.252 0.141 20 5 BCBDRO COCC[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000130993085 385300478 /nfs/dbraw/zinc/30/04/78/385300478.db2.gz SZAXBPIGEIFIHZ-VIFPVBQESA-N 1 0 242.279 0.806 20 5 BCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000052092855 385657565 /nfs/dbraw/zinc/65/75/65/385657565.db2.gz ZWXWXOPCBXIIIH-VIFPVBQESA-N 1 0 249.270 0.995 20 5 BCBDRO Cn1c(C(=O)N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000052092920 385657972 /nfs/dbraw/zinc/65/79/72/385657972.db2.gz NIQBPVUSQJWJLK-ZETCQYMHSA-N 1 0 238.247 0.025 20 5 BCBDRO O=[N+]([O-])c1ncn(CC[C@H]2CC[NH2+]C2)n1 ZINC000396641183 385724331 /nfs/dbraw/zinc/72/43/31/385724331.db2.gz JQABGNRQCYFSPQ-SSDOTTSWSA-N 1 0 211.225 0.186 20 5 BCBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261596417 385823254 /nfs/dbraw/zinc/82/32/54/385823254.db2.gz YVJCBYBQEZQIDG-LURJTMIESA-N 1 0 243.288 0.994 20 5 BCBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)C[NH+](C)C ZINC000291671783 385909114 /nfs/dbraw/zinc/90/91/14/385909114.db2.gz DLXDZBRIDVIYEO-QMMMGPOBSA-N 1 0 239.279 0.994 20 5 BCBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000087383674 386198602 /nfs/dbraw/zinc/19/86/02/386198602.db2.gz LOFQDXIKZKMOIJ-ZETCQYMHSA-N 1 0 239.231 0.655 20 5 BCBDRO C[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237461535 386381207 /nfs/dbraw/zinc/38/12/07/386381207.db2.gz HFPWCWPSQGHRQQ-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO CC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943243 386434260 /nfs/dbraw/zinc/43/42/60/386434260.db2.gz OAGRFXJTMKZCIF-SNVBAGLBSA-N 1 0 237.259 0.948 20 5 BCBDRO CC[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000519536783 386481034 /nfs/dbraw/zinc/48/10/34/386481034.db2.gz LBXLENPYWQQFJW-VIFPVBQESA-N 1 0 228.252 0.152 20 5 BCBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000151280573 386495209 /nfs/dbraw/zinc/49/52/09/386495209.db2.gz OOTCWKNRDOSHIP-UHFFFAOYSA-N 1 0 238.247 0.247 20 5 BCBDRO C[C@H](O)CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266920270 386696440 /nfs/dbraw/zinc/69/64/40/386696440.db2.gz IEYLMUUOVROIPH-VIFPVBQESA-N 1 0 242.279 0.494 20 5 BCBDRO COC[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000124492108 386808967 /nfs/dbraw/zinc/80/89/67/386808967.db2.gz FRZIHBKZWRGSFU-QMMMGPOBSA-N 1 0 228.252 0.416 20 5 BCBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053253183 387022262 /nfs/dbraw/zinc/02/22/62/387022262.db2.gz JCEUMWFAXHMSSE-ZETCQYMHSA-N 1 0 238.247 0.405 20 5 BCBDRO Cc1n[nH]c(C(=O)N(C)[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000269244072 387174134 /nfs/dbraw/zinc/17/41/34/387174134.db2.gz ZBGFDQKHZNBLDU-YFKPBYRVSA-N 1 0 241.251 0.046 20 5 BCBDRO C[C@H]1[C@@H]([NH3+])CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000520234695 387697447 /nfs/dbraw/zinc/69/74/47/387697447.db2.gz AKBJCNAICYDWGP-WPRPVWTQSA-N 1 0 239.279 0.213 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000237571639 387704771 /nfs/dbraw/zinc/70/47/71/387704771.db2.gz ZAOSJGRDEOZDHN-ZCFIWIBFSA-N 1 0 243.288 0.981 20 5 BCBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000122308657 388374272 /nfs/dbraw/zinc/37/42/72/388374272.db2.gz PXPVPOQUBGLQLE-SSDOTTSWSA-N 1 0 239.231 0.751 20 5 BCBDRO CC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668505 388522466 /nfs/dbraw/zinc/52/24/66/388522466.db2.gz MUMZQXDNGIUTBE-JTQLQIEISA-N 1 0 237.259 0.948 20 5 BCBDRO CC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668506 388646188 /nfs/dbraw/zinc/64/61/88/388646188.db2.gz MUMZQXDNGIUTBE-SNVBAGLBSA-N 1 0 237.259 0.948 20 5 BCBDRO [NH3+]C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430938734 388730286 /nfs/dbraw/zinc/73/02/86/388730286.db2.gz CTXIHBUIAHOHLO-VIFPVBQESA-N 1 0 239.279 0.072 20 5 BCBDRO CN(CCCO)Cc1c([N+](=O)[O-])ncn1C ZINC000331278977 388769680 /nfs/dbraw/zinc/76/96/80/388769680.db2.gz DSCSLWVDPWYFFQ-UHFFFAOYSA-N 1 0 228.252 0.143 20 5 BCBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])nc1 ZINC000261592072 135232880 /nfs/dbraw/zinc/23/28/80/135232880.db2.gz VSYXDHXBZMJKPL-CBAPKCEASA-N 1 0 222.248 0.916 20 5 BCBDRO O=C(NCC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000261930506 135264517 /nfs/dbraw/zinc/26/45/17/135264517.db2.gz KYQLJZNDUQWSAJ-UHFFFAOYSA-N 1 0 235.243 0.544 20 5 BCBDRO Cc1c(C(=O)NCC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000262023516 135273711 /nfs/dbraw/zinc/27/37/11/135273711.db2.gz MRJJSYGQTYBYGM-UHFFFAOYSA-N 1 0 249.270 0.852 20 5 BCBDRO [NH3+]C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000518756486 397954229 /nfs/dbraw/zinc/95/42/29/397954229.db2.gz NXUZDMUVCBXJDD-UHFFFAOYSA-N 1 0 247.254 0.975 20 5 BCBDRO Cc1cc(=O)n(Cc2nccn2C)cc1[N+](=O)[O-] ZINC000128667456 398093183 /nfs/dbraw/zinc/09/31/83/398093183.db2.gz RHGWZWPWGFRVKY-UHFFFAOYSA-N 1 0 248.242 0.847 20 5 BCBDRO CNC(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044988746 411142983 /nfs/dbraw/zinc/14/29/83/411142983.db2.gz YAOJPUBSNVYHLE-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO C[C@@H]([NH3+])[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596012832 411825296 /nfs/dbraw/zinc/82/52/96/411825296.db2.gz AXSZCYLYHHQSTK-RITPCOANSA-N 1 0 225.252 0.720 20 5 BCBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000596434488 412199095 /nfs/dbraw/zinc/19/90/95/412199095.db2.gz XAGMCCKCXMDAPP-MRVPVSSYSA-N 1 0 239.279 1.137 20 5 BCBDRO C[NH+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000071515250 172479034 /nfs/dbraw/zinc/47/90/34/172479034.db2.gz FGMZAYIJEPSODE-UHFFFAOYSA-N 1 0 211.221 0.318 20 5 BCBDRO C[NH2+]CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810242 173324952 /nfs/dbraw/zinc/32/49/52/173324952.db2.gz DFVOSKRSLQCTEH-UHFFFAOYSA-N 1 0 237.259 0.773 20 5 BCBDRO C[NH2+]CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015948 173330830 /nfs/dbraw/zinc/33/08/30/173330830.db2.gz LGFXZANCOJVLEV-UHFFFAOYSA-N 1 0 223.232 0.430 20 5 BCBDRO C[NH2+]CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136478748 173334362 /nfs/dbraw/zinc/33/43/62/173334362.db2.gz JWYVRYFKVYGSHH-UHFFFAOYSA-N 1 0 239.231 0.761 20 5 BCBDRO C[NH2+]CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000036279515 173349119 /nfs/dbraw/zinc/34/91/19/173349119.db2.gz WETVQTJOMWWMQT-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO C[NH2+]CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000036279504 173349162 /nfs/dbraw/zinc/34/91/62/173349162.db2.gz SOYBULVNJNVPBR-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000069801784 173352110 /nfs/dbraw/zinc/35/21/10/173352110.db2.gz NNMREWJQRIDTJI-UHFFFAOYSA-N 1 0 226.236 0.214 20 5 BCBDRO COCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267083781 174278778 /nfs/dbraw/zinc/27/87/78/174278778.db2.gz NQPNTWUSVGCMBJ-UHFFFAOYSA-N 1 0 228.252 0.370 20 5 BCBDRO COCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266898456 174279401 /nfs/dbraw/zinc/27/94/01/174279401.db2.gz HLARAALQVLXTDY-UHFFFAOYSA-N 1 0 228.252 0.370 20 5 BCBDRO COCC[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000130993291 174383348 /nfs/dbraw/zinc/38/33/48/174383348.db2.gz SZAXBPIGEIFIHZ-SECBINFHSA-N 1 0 242.279 0.806 20 5 BCBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000088059159 177227159 /nfs/dbraw/zinc/22/71/59/177227159.db2.gz XAAHHTGAHHFGAH-ZETCQYMHSA-N 1 0 239.231 0.622 20 5 BCBDRO Cc1c(C(=O)NCC[NH3+])cccc1[N+](=O)[O-] ZINC000019276860 177565567 /nfs/dbraw/zinc/56/55/67/177565567.db2.gz CUOYGESNUBZHEC-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111301833 588741399 /nfs/dbraw/zinc/74/13/99/588741399.db2.gz JXSRQEZQJBDKPK-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO CNC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000849009913 582823757 /nfs/dbraw/zinc/82/37/57/582823757.db2.gz JENUNWFLJPAGIV-UHFFFAOYSA-N 1 0 222.248 0.881 20 5 BCBDRO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH2+]1 ZINC000856491191 588874071 /nfs/dbraw/zinc/87/40/71/588874071.db2.gz ZGUJUOQGTXVHRC-KXUCPTDWSA-N 1 0 241.291 0.108 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000899861223 584242412 /nfs/dbraw/zinc/24/24/12/584242412.db2.gz XZLCAXFMQKKGMW-SECBINFHSA-N 1 0 238.243 0.693 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccccc1 ZINC000899858838 584242813 /nfs/dbraw/zinc/24/28/13/584242813.db2.gz CQCAXJKORPVVHR-JTQLQIEISA-N 1 0 210.233 0.586 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCN1CCc2ccccc2C1 ZINC000899867866 584243918 /nfs/dbraw/zinc/24/39/18/584243918.db2.gz YZQYMPQDVFZMCU-UHFFFAOYSA-N 1 0 249.314 0.911 20 5 BCBDRO C[C@@H]1CCC[N@H+](CCNCC[N+](=O)[O-])C1 ZINC000899871573 584244452 /nfs/dbraw/zinc/24/44/52/584244452.db2.gz RCFNYTAFCOKAPI-SNVBAGLBSA-N 1 0 215.297 0.585 20 5 BCBDRO Cc1ccc([C@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899870978 584244569 /nfs/dbraw/zinc/24/45/69/584244569.db2.gz PMDSRCQHLAURAD-LLVKDONJSA-N 1 0 224.260 0.895 20 5 BCBDRO COc1ccccc1[C@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000899870733 584244803 /nfs/dbraw/zinc/24/48/03/584244803.db2.gz OMHBWOVOLUNGTM-SNVBAGLBSA-N 1 0 240.259 0.595 20 5 BCBDRO COC1CC(CC[NH2+]CC[N+](=O)[O-])C1 ZINC000899890870 584246200 /nfs/dbraw/zinc/24/62/00/584246200.db2.gz IPWDYNQXCBDKNU-UHFFFAOYSA-N 1 0 202.254 0.668 20 5 BCBDRO C[C@@H]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000899891937 584248778 /nfs/dbraw/zinc/24/87/78/584248778.db2.gz NGQRJUJYTABFTO-BDAKNGLRSA-N 1 0 202.254 0.810 20 5 BCBDRO O=[N+]([O-])c1ccnn1CN1CCCOCC1 ZINC000748068647 585186820 /nfs/dbraw/zinc/18/68/20/585186820.db2.gz IBNZLDBNEXWSFG-UHFFFAOYSA-N 1 0 226.236 0.471 20 5 BCBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839549997 585330297 /nfs/dbraw/zinc/33/02/97/585330297.db2.gz FKBPVNORVVXGCK-BBBLOLIVSA-N 1 0 241.291 0.108 20 5 BCBDRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1C ZINC000839719515 585338414 /nfs/dbraw/zinc/33/84/14/585338414.db2.gz ZLAMEPMKNZQWIZ-UTINFBMNSA-N 1 0 241.291 0.203 20 5 BCBDRO O=c1c([N+](=O)[O-])cccn1CC[NH+]1CCCC1 ZINC000776433023 585698653 /nfs/dbraw/zinc/69/86/53/585698653.db2.gz JCHMBPQIQQFUKK-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO O=C1CN(CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]2N1 ZINC000791052389 585972714 /nfs/dbraw/zinc/97/27/14/585972714.db2.gz MTTLDAYHRRLWSE-DTWKUNHWSA-N 1 0 227.264 0.006 20 5 BCBDRO O=[N+]([O-])CCN1CC[NH+](CC2CC2)CC1 ZINC000791052708 585972771 /nfs/dbraw/zinc/97/27/71/585972771.db2.gz ARNSBGPMNVXSDY-UHFFFAOYSA-N 1 0 213.281 0.291 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000791053885 585973067 /nfs/dbraw/zinc/97/30/67/585973067.db2.gz JOZGMEICASRHFV-QMMMGPOBSA-N 1 0 204.270 0.602 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000798196371 586139988 /nfs/dbraw/zinc/13/99/88/586139988.db2.gz VGTMOBCBZQRNOS-VIFPVBQESA-N 1 0 230.264 0.348 20 5 BCBDRO CC(C)[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])[NH+](C)C ZINC000814037209 586612117 /nfs/dbraw/zinc/61/21/17/586612117.db2.gz UJUWXJUPBXUUEF-BDAKNGLRSA-N 1 0 232.280 0.781 20 5 BCBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000847180333 588308871 /nfs/dbraw/zinc/30/88/71/588308871.db2.gz PMGOGLYKTSMBST-UTINFBMNSA-N 1 0 241.291 0.108 20 5 BCBDRO C[N@@H+]1CC[C@@H](CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000847817421 588333600 /nfs/dbraw/zinc/33/36/00/588333600.db2.gz JNRFOAATKCYKBV-IVZWLZJFSA-N 1 0 242.275 0.537 20 5 BCBDRO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1(C)C ZINC000848035222 588349030 /nfs/dbraw/zinc/34/90/30/588349030.db2.gz PKICFPJZEUGTPA-RKDXNWHRSA-N 1 0 241.291 0.204 20 5 BCBDRO C[NH2+][C@H](C)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642017 589386763 /nfs/dbraw/zinc/38/67/63/589386763.db2.gz HBRPVNLGRPORGG-SSDOTTSWSA-N 1 0 227.268 0.614 20 5 BCBDRO C[NH2+]C(C)(C)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864641786 589386792 /nfs/dbraw/zinc/38/67/92/589386792.db2.gz AYNAUIUGNJNDIW-UHFFFAOYSA-N 1 0 241.295 0.788 20 5 BCBDRO C[NH2+]CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867995822 589543073 /nfs/dbraw/zinc/54/30/73/589543073.db2.gz JMHQMZJBNAUYDW-UHFFFAOYSA-N 1 0 237.259 0.739 20 5 BCBDRO Cc1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC000867995354 589543082 /nfs/dbraw/zinc/54/30/82/589543082.db2.gz AWVMELZRMQUZER-SNVBAGLBSA-N 1 0 249.270 0.881 20 5 BCBDRO Cc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000019277620 589833599 /nfs/dbraw/zinc/83/35/99/589833599.db2.gz VXYKGJWOXUGHJQ-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO C[C@H](CO)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876964254 590262128 /nfs/dbraw/zinc/26/21/28/590262128.db2.gz BVBWKOUFGIVFKQ-AFPNSQJFSA-N 1 0 240.263 0.465 20 5 BCBDRO C[C@@H](O)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877120532 590289093 /nfs/dbraw/zinc/28/90/93/590289093.db2.gz HDOGEDBBFGDCCS-AFPNSQJFSA-N 1 0 240.263 0.465 20 5 BCBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])s1 ZINC000884824363 592022938 /nfs/dbraw/zinc/02/29/38/592022938.db2.gz XEZLWXYILGNVEF-UHFFFAOYSA-N 1 0 245.304 0.992 20 5 BCBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cccnc1[N+](=O)[O-] ZINC000886841259 592359457 /nfs/dbraw/zinc/35/94/57/592359457.db2.gz GNCQVORPHXNSSC-SCZZXKLOSA-N 1 0 236.275 0.911 20 5 BCBDRO CO[C@H]1CC[C@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000931474295 634494654 /nfs/dbraw/zinc/49/46/54/634494654.db2.gz LPUKLTIGUUUJNS-IUCAKERBSA-N 1 0 202.254 0.762 20 5 BCBDRO CC[C@H](C)[N@H+](C)CCNCC[N+](=O)[O-] ZINC000905088814 637589467 /nfs/dbraw/zinc/58/94/67/637589467.db2.gz KMJVUTCNOUZPFG-VIFPVBQESA-N 1 0 203.286 0.583 20 5 BCBDRO CC(C)(C)C(=O)NCC[NH2+]CC[N+](=O)[O-] ZINC000905078619 637579849 /nfs/dbraw/zinc/57/98/49/637579849.db2.gz FKRIDIAUNCQYID-UHFFFAOYSA-N 1 0 217.269 0.015 20 5 BCBDRO Cc1noc(CCC[NH2+]CC[N+](=O)[O-])n1 ZINC000905090426 637589773 /nfs/dbraw/zinc/58/97/73/637589773.db2.gz VFJVPJXBFWHBQH-UHFFFAOYSA-N 1 0 214.225 0.177 20 5 BCBDRO C[C@@H](COCC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905066482 637599119 /nfs/dbraw/zinc/59/91/19/637599119.db2.gz RUXBCLZBPAUMBB-LURJTMIESA-N 1 0 230.186 0.820 20 5 BCBDRO Cc1ccc(CC[NH2+]CC[N+](=O)[O-])cn1 ZINC000905104653 637611613 /nfs/dbraw/zinc/61/16/13/637611613.db2.gz PLGNNXJNEWACCF-UHFFFAOYSA-N 1 0 209.249 0.799 20 5 BCBDRO CN(C)C(=O)C1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905117091 637622656 /nfs/dbraw/zinc/62/26/56/637622656.db2.gz LNMQFPHXYIPDPQ-UHFFFAOYSA-N 1 0 243.307 0.501 20 5 BCBDRO CC(C)(C)OC(=O)NCCC[NH2+]CC[N+](=O)[O-] ZINC000905096440 637633244 /nfs/dbraw/zinc/63/32/44/637633244.db2.gz JKIHUBFUGDGCKQ-UHFFFAOYSA-N 1 0 247.295 0.768 20 5 BCBDRO CCOC(CC[NH2+]CC[N+](=O)[O-])OCC ZINC000905228623 637688037 /nfs/dbraw/zinc/68/80/37/637688037.db2.gz JFJGVWIJFXRDIB-UHFFFAOYSA-N 1 0 220.269 0.642 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000905169930 637679361 /nfs/dbraw/zinc/67/93/61/637679361.db2.gz PLPJTOIKVFODLA-OPRDCNLKSA-N 1 0 214.265 0.810 20 5 BCBDRO CC(C)(CO)CCC[NH2+]CC[N+](=O)[O-] ZINC000905168278 637679365 /nfs/dbraw/zinc/67/93/65/637679365.db2.gz XXTTUOGOOXOBKD-UHFFFAOYSA-N 1 0 204.270 0.651 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000905169924 637679484 /nfs/dbraw/zinc/67/94/84/637679484.db2.gz PLPJTOIKVFODLA-AEJSXWLSSA-N 1 0 214.265 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000905169926 637679582 /nfs/dbraw/zinc/67/95/82/637679582.db2.gz PLPJTOIKVFODLA-BBBLOLIVSA-N 1 0 214.265 0.810 20 5 BCBDRO CC1(C)OC[C@@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905168539 637679620 /nfs/dbraw/zinc/67/96/20/637679620.db2.gz MDJKWAHWTMXBAI-SSDOTTSWSA-N 1 0 204.226 0.004 20 5 BCBDRO CC(C)C[C@@H](CCO)C[NH2+]CC[N+](=O)[O-] ZINC000905171256 637681820 /nfs/dbraw/zinc/68/18/20/637681820.db2.gz UKYWOXHDNFWABO-SNVBAGLBSA-N 1 0 218.297 0.897 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000905199605 637693615 /nfs/dbraw/zinc/69/36/15/637693615.db2.gz HWBCIMRVMNYIMQ-JTQLQIEISA-N 1 0 244.291 0.929 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1cn2c(n1)SCC2 ZINC000905217661 637699347 /nfs/dbraw/zinc/69/93/47/637699347.db2.gz YAECWOLZUQFNJM-UHFFFAOYSA-N 1 0 242.304 0.398 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCn2ccnc2C1 ZINC000905218763 637699416 /nfs/dbraw/zinc/69/94/16/637699416.db2.gz OXLQFNWZIRJHBE-QMMMGPOBSA-N 1 0 210.237 0.064 20 5 BCBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1OC ZINC000905214738 637700553 /nfs/dbraw/zinc/70/05/53/637700553.db2.gz VSALKVIYJDRCGV-IWSPIJDZSA-N 1 0 218.253 0.045 20 5 BCBDRO O=[N+]([O-])CCNC1CC([NH+]2CCCCC2)C1 ZINC000905245812 637704996 /nfs/dbraw/zinc/70/49/96/637704996.db2.gz BUCUVHVYPKGHCT-UHFFFAOYSA-N 1 0 227.308 0.870 20 5 BCBDRO COCC1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905248076 637707698 /nfs/dbraw/zinc/70/76/98/637707698.db2.gz RDPVBCLHIZUYNB-UHFFFAOYSA-N 1 0 202.254 0.669 20 5 BCBDRO C[C@@H]1COCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905255124 637712666 /nfs/dbraw/zinc/71/26/66/637712666.db2.gz FAXFJBRJXBKBTB-RKDXNWHRSA-N 1 0 202.254 0.525 20 5 BCBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905242744 637726159 /nfs/dbraw/zinc/72/61/59/637726159.db2.gz KGQNGTNKANRAOF-SNVBAGLBSA-N 1 0 229.324 0.973 20 5 BCBDRO CCC[C@H](C)C(=O)NCC[NH2+]CC[N+](=O)[O-] ZINC000905269250 637730202 /nfs/dbraw/zinc/73/02/02/637730202.db2.gz VREZAQUYVMZUML-VIFPVBQESA-N 1 0 231.296 0.405 20 5 BCBDRO COC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905273167 637731802 /nfs/dbraw/zinc/73/18/02/637731802.db2.gz KEODRQBLQRTYPW-UHFFFAOYSA-N 1 0 202.254 0.812 20 5 BCBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])CC(C)C ZINC000905288336 637739741 /nfs/dbraw/zinc/73/97/41/637739741.db2.gz FOIVIQZPYABSDS-VIFPVBQESA-N 1 0 204.270 0.914 20 5 BCBDRO COc1cccc([C@H](O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905352421 637771466 /nfs/dbraw/zinc/77/14/66/637771466.db2.gz WRWTUGHZJLAEJM-LLVKDONJSA-N 1 0 240.259 0.595 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000905362044 637780052 /nfs/dbraw/zinc/78/00/52/637780052.db2.gz RRYDCHDLIDFLAN-LBPRGKRZSA-N 1 0 238.287 0.846 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1ccco1 ZINC000905342941 637782514 /nfs/dbraw/zinc/78/25/14/637782514.db2.gz DWQMIVUYDDBDTN-SECBINFHSA-N 1 0 228.248 0.297 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000905343548 637782916 /nfs/dbraw/zinc/78/29/16/637782916.db2.gz ZNOUTZXFAQQENE-GFCCVEGCSA-N 1 0 238.287 0.704 20 5 BCBDRO CC1(C)OCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905382487 637784545 /nfs/dbraw/zinc/78/45/45/637784545.db2.gz QCXVUGQHNXTIAP-MRVPVSSYSA-N 1 0 202.254 0.668 20 5 BCBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000905362493 637785852 /nfs/dbraw/zinc/78/58/52/637785852.db2.gz BJBOFDNWCXNVCF-CMPLNLGQSA-N 1 0 238.287 0.845 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC1(CCO)CCCC1 ZINC000905364435 637788472 /nfs/dbraw/zinc/78/84/72/637788472.db2.gz JJGWRUAITHIAIM-UHFFFAOYSA-N 1 0 216.281 0.796 20 5 BCBDRO Cc1ccc(C[C@@H](CO)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905366132 637789430 /nfs/dbraw/zinc/78/94/30/637789430.db2.gz GCTQESOKDGVCCK-LBPRGKRZSA-N 1 0 238.287 0.765 20 5 BCBDRO CC(C)(C)C[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905367092 637789917 /nfs/dbraw/zinc/78/99/17/637789917.db2.gz IDWSRUIAAJMLEA-MRVPVSSYSA-N 1 0 204.270 0.650 20 5 BCBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905368014 637790058 /nfs/dbraw/zinc/79/00/58/637790058.db2.gz XMXUNDWNMUXDCU-DTWKUNHWSA-N 1 0 234.296 0.011 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000905400291 637795491 /nfs/dbraw/zinc/79/54/91/637795491.db2.gz QHQKLGPKBIKLOY-SQXHDICFSA-N 1 0 212.249 0.276 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000905409825 637799319 /nfs/dbraw/zinc/79/93/19/637799319.db2.gz WYCHBXZMPNULTQ-GUBZILKMSA-N 1 0 214.265 0.810 20 5 BCBDRO CCOC1CC2(C[C@@H]2[NH2+]CC[N+](=O)[O-])C1 ZINC000905414847 637801971 /nfs/dbraw/zinc/80/19/71/637801971.db2.gz CCORDJHUIZJTIK-KYHHOPLUSA-N 1 0 214.265 0.810 20 5 BCBDRO CC(C)O[C@]1(C[NH2+]CC[N+](=O)[O-])CCOC1 ZINC000905559541 637847438 /nfs/dbraw/zinc/84/74/38/637847438.db2.gz YBMBHGVEYBGUGS-JTQLQIEISA-N 1 0 232.280 0.437 20 5 BCBDRO Cc1cc(CC[NH2+]CC[N+](=O)[O-])nn1C ZINC000905560441 637847497 /nfs/dbraw/zinc/84/74/97/637847497.db2.gz NQQPIMDHGIJMIW-UHFFFAOYSA-N 1 0 212.253 0.137 20 5 BCBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930267019 639668766 /nfs/dbraw/zinc/66/87/66/639668766.db2.gz FDDRRLOGDINXGP-VHSXEESVSA-N 1 0 216.281 0.889 20 5 BCBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000930324699 639705614 /nfs/dbraw/zinc/70/56/14/639705614.db2.gz PQUXMGYEFSQJPH-IUCAKERBSA-N 1 0 202.254 0.810 20 5 BCBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N+](=O)[O-] ZINC000930459136 639761832 /nfs/dbraw/zinc/76/18/32/639761832.db2.gz ZWTIJGPWPMMSGM-GHMZBOCLSA-N 1 0 227.308 0.822 20 5 BCBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N+](=O)[O-] ZINC000930483828 639775086 /nfs/dbraw/zinc/77/50/86/639775086.db2.gz ZCLUYTWDYKWMMO-QWRGUYRKSA-N 1 0 227.308 0.822 20 5 BCBDRO CCOC1CC([N@H+](C)CC[N+](=O)[O-])C1 ZINC000930487587 639777442 /nfs/dbraw/zinc/77/74/42/639777442.db2.gz HZZCOJZIBYZWLG-UHFFFAOYSA-N 1 0 202.254 0.762 20 5 BCBDRO O=C([C@H]1CC[N@@H+](CC[N+](=O)[O-])C1)N1CCCC1 ZINC000930490291 639782918 /nfs/dbraw/zinc/78/29/18/639782918.db2.gz QUNZHCIHYFJJHA-JTQLQIEISA-N 1 0 241.291 0.207 20 5 BCBDRO C[N@@H+]1CC[C@@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC000930554507 639810554 /nfs/dbraw/zinc/81/05/54/639810554.db2.gz IQANLQLBPFLSFI-SNVBAGLBSA-N 1 0 213.281 0.291 20 5 BCBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CC[N+](=O)[O-])C2 ZINC000930602744 639817159 /nfs/dbraw/zinc/81/71/59/639817159.db2.gz ZFOJNVCBFHMTFN-NSHDSACASA-N 1 0 227.308 0.681 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000930623365 639828998 /nfs/dbraw/zinc/82/89/98/639828998.db2.gz QMYZMEAORXIWAQ-MXWKQRLJSA-N 1 0 228.292 0.889 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000930638642 639837704 /nfs/dbraw/zinc/83/77/04/639837704.db2.gz JTXXPXLNTMVNQW-MNOVXSKESA-N 1 0 228.292 0.650 20 5 BCBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC[N+](=O)[O-])C1 ZINC000930672128 639855360 /nfs/dbraw/zinc/85/53/60/639855360.db2.gz GVJSOHNVEODZOC-JTQLQIEISA-N 1 0 215.297 0.678 20 5 BCBDRO CC(C)(C[NH+]1CCCC1)NCC[N+](=O)[O-] ZINC000930675831 639857704 /nfs/dbraw/zinc/85/77/04/639857704.db2.gz KGHRWOPLDAYBFX-UHFFFAOYSA-N 1 0 215.297 0.727 20 5 BCBDRO CO[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC000930700127 639865846 /nfs/dbraw/zinc/86/58/46/639865846.db2.gz PPGBKICPNLLMGA-BDAKNGLRSA-N 1 0 214.265 0.810 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCC[C@H](CCO)CC1 ZINC000930754270 639897645 /nfs/dbraw/zinc/89/76/45/639897645.db2.gz MYYFLYPKHFZQMZ-JTQLQIEISA-N 1 0 216.281 0.748 20 5 BCBDRO CC(C)O[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930812082 639913652 /nfs/dbraw/zinc/91/36/52/639913652.db2.gz SROMHDIYMBYHAV-SECBINFHSA-N 1 0 202.254 0.762 20 5 BCBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1SC ZINC000930821171 639921956 /nfs/dbraw/zinc/92/19/56/639921956.db2.gz CJMFJIYJYHGEDA-HLTSFMKQSA-N 1 0 234.321 0.762 20 5 BCBDRO CCC[C@H](C)[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000930846064 639945669 /nfs/dbraw/zinc/94/56/69/639945669.db2.gz ASBYATBEJJEFBG-IUCAKERBSA-N 1 0 204.270 0.650 20 5 BCBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930853019 639952055 /nfs/dbraw/zinc/95/20/55/639952055.db2.gz PQUXMGYEFSQJPH-RKDXNWHRSA-N 1 0 202.254 0.810 20 5 BCBDRO C[C@H]1CCC[N@H+](CC[N+](=O)[O-])[C@@H]1CCO ZINC000930972226 640003312 /nfs/dbraw/zinc/00/33/12/640003312.db2.gz YMCDTICWVBCJIK-VHSXEESVSA-N 1 0 216.281 0.746 20 5 BCBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000931258392 640117433 /nfs/dbraw/zinc/11/74/33/640117433.db2.gz KTJITLZJBZYQBD-MAUMQABQSA-N 1 0 202.254 0.665 20 5 BCBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000931258391 640118072 /nfs/dbraw/zinc/11/80/72/640118072.db2.gz KTJITLZJBZYQBD-BZNPZCIMSA-N 1 0 202.254 0.665 20 5 BCBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000931258394 640118810 /nfs/dbraw/zinc/11/88/10/640118810.db2.gz KTJITLZJBZYQBD-XAVMHZPKSA-N 1 0 202.254 0.665 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000931332269 640160207 /nfs/dbraw/zinc/16/02/07/640160207.db2.gz BQNDKPWJBJAGFM-DJLDLDEBSA-N 1 0 200.238 0.108 20 5 BCBDRO C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])[C@@H]1CO ZINC000931501407 640235660 /nfs/dbraw/zinc/23/56/60/640235660.db2.gz BDAGIKUVOJALOR-RKDXNWHRSA-N 1 0 202.254 0.356 20 5 BCBDRO CCOC(=O)CC[N@H+](CC[N+](=O)[O-])CC1CC1 ZINC000929417885 641259099 /nfs/dbraw/zinc/25/90/99/641259099.db2.gz WGYFWDPNPVSUBT-UHFFFAOYSA-N 1 0 244.291 0.928 20 5 BCBDRO NC(=O)CC1([NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000934820865 641280709 /nfs/dbraw/zinc/28/07/09/641280709.db2.gz OMJJHQWYDXIQOX-UHFFFAOYSA-N 1 0 229.280 0.431 20 5 BCBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC[N+](=O)[O-] ZINC000933256136 642424239 /nfs/dbraw/zinc/42/42/39/642424239.db2.gz JXDJWLXNCNLILJ-NSHDSACASA-N 1 0 229.324 0.925 20 5 BCBDRO O=[N+]([O-])CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000929285187 643919805 /nfs/dbraw/zinc/91/98/05/643919805.db2.gz YKKGKACAZFHCBU-LLVKDONJSA-N 1 0 227.308 0.823 20 5 BCBDRO C[NH+](C)CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822148042 645040422 /nfs/dbraw/zinc/04/04/22/645040422.db2.gz GTQUZZOBCMBEJS-UHFFFAOYSA-N 1 0 245.323 0.890 20 5 BCBDRO CCOC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929327225 646083144 /nfs/dbraw/zinc/08/31/44/646083144.db2.gz FMVUFRORHMTFAK-UHFFFAOYSA-N 1 0 202.254 0.764 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000929607257 646198804 /nfs/dbraw/zinc/19/88/04/646198804.db2.gz NRHOAPQKRDQXHX-SECBINFHSA-N 1 0 202.254 0.622 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000929646692 646219624 /nfs/dbraw/zinc/21/96/24/646219624.db2.gz PUERWFPMQRTTPC-UHFFFAOYSA-N 1 0 236.271 0.383 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000929787496 646315568 /nfs/dbraw/zinc/31/55/68/646315568.db2.gz JEJJVDBTBYCBFV-NSHDSACASA-N 1 0 244.291 0.533 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000930097890 646434685 /nfs/dbraw/zinc/43/46/85/646434685.db2.gz SLGQCSDYJIUHLN-RKDXNWHRSA-N 1 0 202.254 0.356 20 5 BCBDRO C[NH+](C)C[C@@H](O)CNc1cccnc1[N+](=O)[O-] ZINC000717419206 712657128 /nfs/dbraw/zinc/65/71/28/712657128.db2.gz IOQAWLOXLAYEQS-QMMMGPOBSA-N 1 0 240.263 0.324 20 5 BCBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053765 712422379 /nfs/dbraw/zinc/42/23/79/712422379.db2.gz GHENQUCUQWOIKI-RKDXNWHRSA-N 1 0 202.254 0.498 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C ZINC000712596619 712436161 /nfs/dbraw/zinc/43/61/61/712436161.db2.gz VIZILNUWROAHKO-SSDOTTSWSA-N 1 0 225.252 0.444 20 5 BCBDRO Cc1nn(C)c(NC[C@@H]2CCN2C)c1[N+](=O)[O-] ZINC000712613970 712437840 /nfs/dbraw/zinc/43/78/40/712437840.db2.gz JCYDKLWFKUZAPZ-QMMMGPOBSA-N 1 0 239.279 0.753 20 5 BCBDRO C[N@@H+]1CC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000712538968 712443374 /nfs/dbraw/zinc/44/33/74/712443374.db2.gz YGSKEEPAKHENLM-ZETCQYMHSA-N 1 0 237.263 0.688 20 5 BCBDRO Cc1ccc(C[NH2+]CCC(N)=O)cc1[N+](=O)[O-] ZINC000037262007 712560829 /nfs/dbraw/zinc/56/08/29/712560829.db2.gz QELKNRJIHIUJPG-UHFFFAOYSA-N 1 0 237.259 0.868 20 5 BCBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000721029221 712887874 /nfs/dbraw/zinc/88/78/74/712887874.db2.gz OTZQOIQWDWPBFO-SFYZADRCSA-N 1 0 210.237 0.647 20 5 BCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588055 349613630 /nfs/dbraw/zinc/61/36/30/349613630.db2.gz KNPFSNYIEUIPHX-BQBZGAKWSA-N 1 0 236.231 0.109 20 5 BCBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351808701 136370858 /nfs/dbraw/zinc/37/08/58/136370858.db2.gz KGUYTYPZRMZPCZ-PSASIEDQSA-N 1 0 240.263 0.104 20 5 BCBDRO O=[N+]([O-])c1ccc(C[NH2+]C(CO)CO)cc1 ZINC000083693015 343657927 /nfs/dbraw/zinc/65/79/27/343657927.db2.gz BYTJAWPXRKSEQX-UHFFFAOYSA-N 1 0 226.232 0.038 20 5 BCBDRO Cc1c(C(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000021951700 343797941 /nfs/dbraw/zinc/79/79/41/343797941.db2.gz QOGIPYQZBBWJHU-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000082574360 345438488 /nfs/dbraw/zinc/43/84/88/345438488.db2.gz DGAFRAYKLJZBNM-ZETCQYMHSA-N 1 0 223.232 0.672 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](O)C1 ZINC000061708591 345840642 /nfs/dbraw/zinc/84/06/42/345840642.db2.gz GCMHCIVBBUEUHT-SECBINFHSA-N 1 0 240.263 0.166 20 5 BCBDRO Cc1cccc(C(=O)N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000054417456 179004183 /nfs/dbraw/zinc/00/41/83/179004183.db2.gz KWXNDEVVHIWVEN-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO COC[C@H](C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000188132713 346790517 /nfs/dbraw/zinc/79/05/17/346790517.db2.gz KLPCJLUBURSMKK-SECBINFHSA-N 1 0 242.279 0.663 20 5 BCBDRO Cc1nc(N(C)CCC[NH3+])ncc1[N+](=O)[O-] ZINC000591428336 347658651 /nfs/dbraw/zinc/65/86/51/347658651.db2.gz OWLBPFUHZQWBPM-UHFFFAOYSA-N 1 0 225.252 0.478 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1C[C@@H]1CC[NH2+]C1 ZINC000592156169 347745548 /nfs/dbraw/zinc/74/55/48/347745548.db2.gz IGPYLYYBBXVFOP-MRVPVSSYSA-N 1 0 223.232 0.366 20 5 BCBDRO Cc1cc(=O)n(C[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592162345 347745972 /nfs/dbraw/zinc/74/59/72/347745972.db2.gz XJQPPYCTLSKKEJ-VIFPVBQESA-N 1 0 237.259 0.674 20 5 BCBDRO O=[N+]([O-])c1ccnn1CC[C@@H]1CC[NH2+]C1 ZINC000592158961 347745986 /nfs/dbraw/zinc/74/59/86/347745986.db2.gz ZSUGNGYMJDLUPM-QMMMGPOBSA-N 1 0 210.237 0.791 20 5 BCBDRO O=[N+]([O-])c1ccnn1CC[C@H]1CC[NH2+]C1 ZINC000592158957 347745997 /nfs/dbraw/zinc/74/59/97/347745997.db2.gz ZSUGNGYMJDLUPM-MRVPVSSYSA-N 1 0 210.237 0.791 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000595984569 348419026 /nfs/dbraw/zinc/41/90/26/348419026.db2.gz VRMNMIOVFMHFID-ZCFIWIBFSA-N 1 0 227.220 0.526 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000595984567 348419353 /nfs/dbraw/zinc/41/93/53/348419353.db2.gz VRMNMIOVFMHFID-LURJTMIESA-N 1 0 227.220 0.526 20 5 BCBDRO C[NH+](C)C[C@H](CO)Nc1sccc1[N+](=O)[O-] ZINC000596244963 348485783 /nfs/dbraw/zinc/48/57/83/348485783.db2.gz SUTFKTHVZJFHNF-SSDOTTSWSA-N 1 0 245.304 0.991 20 5 BCBDRO O=c1[nH]ccc(NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000596176004 348462160 /nfs/dbraw/zinc/46/21/60/348462160.db2.gz YXJSDEPHSIRQAN-UHFFFAOYSA-N 1 0 238.247 0.813 20 5 BCBDRO O=[N+]([O-])c1ncccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000159345959 350046190 /nfs/dbraw/zinc/04/61/90/350046190.db2.gz RIWVFOQTSCZPSV-DTORHVGOSA-N 1 0 234.259 0.645 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000052092911 350914994 /nfs/dbraw/zinc/91/49/94/350914994.db2.gz ITRZERRLQVNQFZ-SSDOTTSWSA-N 1 0 238.247 0.025 20 5 BCBDRO C[NH2+]CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943182 353136996 /nfs/dbraw/zinc/13/69/96/353136996.db2.gz YYEDDFOQXPDRJL-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000082576828 538109467 /nfs/dbraw/zinc/10/94/67/538109467.db2.gz VMUJPZQBLJALJI-RXMQYKEDSA-N 1 0 229.261 0.733 20 5 BCBDRO Cc1nc(N2CC[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000420218442 192193787 /nfs/dbraw/zinc/19/37/87/192193787.db2.gz MXTIOTGISQELMJ-ZETCQYMHSA-N 1 0 237.263 0.491 20 5 BCBDRO [NH3+][C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000346032761 356957385 /nfs/dbraw/zinc/95/73/85/356957385.db2.gz BVYBGWZKHCQJNK-VIFPVBQESA-N 1 0 239.279 0.214 20 5 BCBDRO [NH3+][C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000346037224 356959526 /nfs/dbraw/zinc/95/95/26/356959526.db2.gz ILJMUFKUANLHNY-SECBINFHSA-N 1 0 239.279 0.214 20 5 BCBDRO O=[N+]([O-])c1cn(CC[C@@H]2CC[NH2+]C2)cn1 ZINC000583691799 357121697 /nfs/dbraw/zinc/12/16/97/357121697.db2.gz OFSBCERTVKICAE-QMMMGPOBSA-N 1 0 210.237 0.791 20 5 BCBDRO CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC000580445738 359562307 /nfs/dbraw/zinc/56/23/07/359562307.db2.gz AWBNAURFTWWTRK-SECBINFHSA-N 1 0 239.279 0.085 20 5 BCBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000036282296 360798178 /nfs/dbraw/zinc/79/81/78/360798178.db2.gz AVMLIQOIRDFJON-UHFFFAOYSA-N 1 0 240.263 0.652 20 5 BCBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000430921352 192897132 /nfs/dbraw/zinc/89/71/32/192897132.db2.gz XUXMMEDAJBOJPV-SECBINFHSA-N 1 0 239.279 0.085 20 5 BCBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000430921353 192897807 /nfs/dbraw/zinc/89/78/07/192897807.db2.gz XUXMMEDAJBOJPV-VIFPVBQESA-N 1 0 239.279 0.085 20 5 BCBDRO C[C@H](C[NH3+])N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000430967668 192899500 /nfs/dbraw/zinc/89/95/00/192899500.db2.gz UCXKUAKZIMQSAD-SSDOTTSWSA-N 1 0 227.268 0.107 20 5 BCBDRO C[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668484 364456901 /nfs/dbraw/zinc/45/69/01/364456901.db2.gz XELDMMLRFWNMOD-SSDOTTSWSA-N 1 0 223.232 0.558 20 5 BCBDRO [NH3+]CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000035994104 181367833 /nfs/dbraw/zinc/36/78/33/181367833.db2.gz BLHPJTHQNOBGMZ-UHFFFAOYSA-N 1 0 223.232 0.560 20 5 BCBDRO [NH3+]CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000019472668 181381830 /nfs/dbraw/zinc/38/18/30/181381830.db2.gz ODUQVCDUPYYAMF-UHFFFAOYSA-N 1 0 223.232 0.673 20 5 BCBDRO [NH3+]CCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000002558407 181389190 /nfs/dbraw/zinc/38/91/90/181389190.db2.gz DUACFTGUKJDLLK-UHFFFAOYSA-N 1 0 249.068 0.903 20 5 BCBDRO C[C@H]([NH3+])Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000575293018 365280234 /nfs/dbraw/zinc/28/02/34/365280234.db2.gz FHJUUJVORBVOEF-YFKPBYRVSA-N 1 0 231.639 0.757 20 5 BCBDRO [NH3+]CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000579934308 367089960 /nfs/dbraw/zinc/08/99/60/367089960.db2.gz DLBBOVUBPIQPBH-UHFFFAOYSA-N 1 0 238.247 0.353 20 5 BCBDRO O=[N+]([O-])c1cccnc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107571381 369352260 /nfs/dbraw/zinc/35/22/60/369352260.db2.gz KYFMPVFVZSMPCE-IUCAKERBSA-N 1 0 234.259 0.645 20 5 BCBDRO Cc1cccc(C(=O)NC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000111301899 370126104 /nfs/dbraw/zinc/12/61/04/370126104.db2.gz QIBQDKTUANDTMH-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000310308858 370332654 /nfs/dbraw/zinc/33/26/54/370332654.db2.gz DGEXGBRLYCTEKP-SSDOTTSWSA-N 1 0 239.279 0.934 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000082584508 371012313 /nfs/dbraw/zinc/01/23/13/371012313.db2.gz VHLVHHUIBIMNEU-LURJTMIESA-N 1 0 226.236 0.010 20 5 BCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CC2)c1 ZINC000037873522 371013201 /nfs/dbraw/zinc/01/32/01/371013201.db2.gz VGTCTQLSBBLCDD-SNVBAGLBSA-N 1 0 240.263 0.152 20 5 BCBDRO C[C@@H]1C[C@@H]([NH3+])CN1CCn1ccc([N+](=O)[O-])n1 ZINC000601329637 371748538 /nfs/dbraw/zinc/74/85/38/371748538.db2.gz LMDUOXDLFYHJDO-RKDXNWHRSA-N 1 0 239.279 0.213 20 5 BCBDRO [NH3+]CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602421047 371803882 /nfs/dbraw/zinc/80/38/82/371803882.db2.gz ILXCJJFRMHRPPA-UHFFFAOYSA-N 1 0 241.222 0.813 20 5 BCBDRO CN(CC[NH3+])C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602509052 371817131 /nfs/dbraw/zinc/81/71/31/371817131.db2.gz GFDMQXNNWYFAIP-UHFFFAOYSA-N 1 0 241.222 0.765 20 5 BCBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602554349 371820968 /nfs/dbraw/zinc/82/09/68/371820968.db2.gz HARXOXTULQFQCL-YUMQZZPRSA-N 1 0 242.279 0.435 20 5 BCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602605906 371825330 /nfs/dbraw/zinc/82/53/30/371825330.db2.gz VDNBNWZRDQNJOS-ONGXEEELSA-N 1 0 247.254 0.781 20 5 BCBDRO COCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602768983 371838591 /nfs/dbraw/zinc/83/85/91/371838591.db2.gz PGIVSGNTVAIQPQ-UHFFFAOYSA-N 1 0 242.279 0.678 20 5 BCBDRO Cn1cc(CN2CCC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602769815 371838783 /nfs/dbraw/zinc/83/87/83/371838783.db2.gz RSYXALLASKOVTF-SECBINFHSA-N 1 0 240.263 0.285 20 5 BCBDRO Cn1cc(CN2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000603429079 371895232 /nfs/dbraw/zinc/89/52/32/371895232.db2.gz LQBZETLBPUFAGZ-SECBINFHSA-N 1 0 239.279 0.251 20 5 BCBDRO CCN(CC[NH3+])Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430102 371895637 /nfs/dbraw/zinc/89/56/37/371895637.db2.gz SHFQIWGYIVVLDE-UHFFFAOYSA-N 1 0 227.268 0.109 20 5 BCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000252404589 182345667 /nfs/dbraw/zinc/34/56/67/182345667.db2.gz CUYMWUUQOVGOTP-URLYPYJESA-N 1 0 247.254 0.542 20 5 BCBDRO CCC[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000266951657 169165891 /nfs/dbraw/zinc/16/58/91/169165891.db2.gz ZWKKVUOYPYZDAN-UHFFFAOYSA-N 1 0 242.279 0.496 20 5 BCBDRO C[NH+](C)CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000158538470 384008567 /nfs/dbraw/zinc/00/85/67/384008567.db2.gz UKYDEIVEACKFDQ-UHFFFAOYSA-N 1 0 245.666 0.972 20 5 BCBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000340224698 384137604 /nfs/dbraw/zinc/13/76/04/384137604.db2.gz BAEQYIMORRTGDM-LLVKDONJSA-N 1 0 249.270 0.915 20 5 BCBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000309443959 384244519 /nfs/dbraw/zinc/24/45/19/384244519.db2.gz MJMXROZFAAMVSZ-ZCFIWIBFSA-N 1 0 227.220 0.655 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000050228766 384609052 /nfs/dbraw/zinc/60/90/52/384609052.db2.gz DMTSLWDQFAKUFT-LURJTMIESA-N 1 0 224.220 0.096 20 5 BCBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000147913033 384863660 /nfs/dbraw/zinc/86/36/60/384863660.db2.gz WJFJLGGDDVHDRG-SSDOTTSWSA-N 1 0 239.231 0.622 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000074533110 385023878 /nfs/dbraw/zinc/02/38/78/385023878.db2.gz AFZXPWXVRUFAMH-QMMMGPOBSA-N 1 0 237.259 0.601 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NCCC[NH+](C)C ZINC000033769844 385262297 /nfs/dbraw/zinc/26/22/97/385262297.db2.gz DITNCLGCTHJMKF-UHFFFAOYSA-N 1 0 227.268 0.692 20 5 BCBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261576677 385820757 /nfs/dbraw/zinc/82/07/57/385820757.db2.gz KOEAZYHOHYAIMT-LURJTMIESA-N 1 0 226.236 0.261 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1CNCC1([NH3+])CCC1 ZINC000342117225 385928877 /nfs/dbraw/zinc/92/88/77/385928877.db2.gz CUUPKXNOGARQCE-UHFFFAOYSA-N 1 0 239.279 0.299 20 5 BCBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000129202480 386065375 /nfs/dbraw/zinc/06/53/75/386065375.db2.gz AYWBFIFDXFKDMC-QMMMGPOBSA-N 1 0 238.247 0.390 20 5 BCBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000052926296 386372218 /nfs/dbraw/zinc/37/22/18/386372218.db2.gz UFZIAUJJKRDKGL-GHMZBOCLSA-N 1 0 238.243 0.444 20 5 BCBDRO CC[N@H+](CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000267059866 386750965 /nfs/dbraw/zinc/75/09/65/386750965.db2.gz IJIWWBHVRLMYRW-UHFFFAOYSA-N 1 0 242.279 0.760 20 5 BCBDRO C[C@@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000269077774 386742488 /nfs/dbraw/zinc/74/24/88/386742488.db2.gz ZGMXANCXKGSCSB-SSDOTTSWSA-N 1 0 235.243 0.831 20 5 BCBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000267095944 386812881 /nfs/dbraw/zinc/81/28/81/386812881.db2.gz RMWUBLXXYRDREI-VIFPVBQESA-N 1 0 240.263 0.512 20 5 BCBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000107571538 387033409 /nfs/dbraw/zinc/03/34/09/387033409.db2.gz DNPHYFDQGLYRJI-DTORHVGOSA-N 1 0 234.259 0.645 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000441626317 387358291 /nfs/dbraw/zinc/35/82/91/387358291.db2.gz PIULPAPTZFVNLR-ZCFIWIBFSA-N 1 0 226.236 0.248 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000441608728 387326159 /nfs/dbraw/zinc/32/61/59/387326159.db2.gz CMRDLJKEEPPKBR-LURJTMIESA-N 1 0 226.236 0.248 20 5 BCBDRO O=[N+]([O-])c1cccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415031685 387672479 /nfs/dbraw/zinc/67/24/79/387672479.db2.gz GTXZZPYCQFHNEZ-GDNZZTSVSA-N 1 0 233.271 0.902 20 5 BCBDRO C[NH+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000040454324 387754798 /nfs/dbraw/zinc/75/47/98/387754798.db2.gz YFYIBPYNXIVVOL-UHFFFAOYSA-N 1 0 211.225 0.358 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)CO ZINC000347500273 387993768 /nfs/dbraw/zinc/99/37/68/387993768.db2.gz HOSSJMPGMGKVQA-LLVKDONJSA-N 1 0 240.259 0.346 20 5 BCBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000347468788 387986800 /nfs/dbraw/zinc/98/68/00/387986800.db2.gz XRSQPOKQFCRKNV-UHFFFAOYSA-N 1 0 222.248 0.740 20 5 BCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000304555127 388358584 /nfs/dbraw/zinc/35/85/84/388358584.db2.gz WHIGSTCMADATJU-UHFFFAOYSA-N 1 0 242.279 0.494 20 5 BCBDRO Cc1cc(=O)n(CCC[NH3+])cc1[N+](=O)[O-] ZINC000057832387 388368198 /nfs/dbraw/zinc/36/81/98/388368198.db2.gz ABKGDENUQFSMOB-UHFFFAOYSA-N 1 0 211.221 0.414 20 5 BCBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000298861672 388671011 /nfs/dbraw/zinc/67/10/11/388671011.db2.gz DAJCCDTWPPMLLH-ZETCQYMHSA-N 1 0 240.263 0.603 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCOCC2)c1 ZINC000369993014 388688295 /nfs/dbraw/zinc/68/82/95/388688295.db2.gz CCSLZHKETCOICK-UHFFFAOYSA-N 1 0 240.263 0.514 20 5 BCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000424081383 388694396 /nfs/dbraw/zinc/69/43/96/388694396.db2.gz JYVGNCMCJLFGRO-VHSXEESVSA-N 1 0 235.243 0.558 20 5 BCBDRO Cc1c(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424164422 388695034 /nfs/dbraw/zinc/69/50/34/388695034.db2.gz CHTPNDHPPVIEHM-ZJUUUORDSA-N 1 0 249.270 0.867 20 5 BCBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000082578573 388728593 /nfs/dbraw/zinc/72/85/93/388728593.db2.gz KODANAPVHAZDEQ-LURJTMIESA-N 1 0 227.220 0.655 20 5 BCBDRO [NH3+]C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000430571979 388728758 /nfs/dbraw/zinc/72/87/58/388728758.db2.gz OUJGIMNTFRDCJT-VIFPVBQESA-N 1 0 239.279 0.214 20 5 BCBDRO COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000282075615 388812590 /nfs/dbraw/zinc/81/25/90/388812590.db2.gz ZKBIMUCUWUZKBC-MRVPVSSYSA-N 1 0 246.292 0.827 20 5 BCBDRO C[C@@H](C(N)=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153045134 388933773 /nfs/dbraw/zinc/93/37/73/388933773.db2.gz BSFFSCVZSYAJKE-QMMMGPOBSA-N 1 0 249.270 0.827 20 5 BCBDRO Cc1n[nH]c(C(=O)N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000349947718 133927292 /nfs/dbraw/zinc/92/72/92/133927292.db2.gz FMLLRZLMBLFUHG-YFKPBYRVSA-N 1 0 241.251 0.093 20 5 BCBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000351951577 134016789 /nfs/dbraw/zinc/01/67/89/134016789.db2.gz LNHOCVWEZTXBLO-DTWKUNHWSA-N 1 0 240.263 0.104 20 5 BCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1C[NH2+]C1 ZINC000262009982 135272055 /nfs/dbraw/zinc/27/20/55/135272055.db2.gz JFUJDCUBQVDLCA-UHFFFAOYSA-N 1 0 249.270 0.473 20 5 BCBDRO O=C(NCC1C[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000262033967 135275210 /nfs/dbraw/zinc/27/52/10/135275210.db2.gz PKFIMTPLKHQZNY-UHFFFAOYSA-N 1 0 241.272 0.606 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2C[NH2+]C2)c1 ZINC000262062633 135276679 /nfs/dbraw/zinc/27/66/79/135276679.db2.gz ZIGLVFLORYCARI-UHFFFAOYSA-N 1 0 249.270 0.852 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH3+])c1 ZINC000088147338 135516350 /nfs/dbraw/zinc/51/63/50/135516350.db2.gz WIFBCUSCWLLAPB-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO CC[NH2+]CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420165267 411640528 /nfs/dbraw/zinc/64/05/28/411640528.db2.gz NFYDXWKYIDGMDJ-UHFFFAOYSA-N 1 0 225.252 0.715 20 5 BCBDRO Cc1cc(NCC[NH+]2CCC2)ncc1[N+](=O)[O-] ZINC000443886730 411647968 /nfs/dbraw/zinc/64/79/68/411647968.db2.gz UAOUMXFPSHLRNH-UHFFFAOYSA-N 1 0 236.275 1.416 20 5 BCBDRO C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000343790587 411919122 /nfs/dbraw/zinc/91/91/22/411919122.db2.gz LMXOCMKMTGHMAH-ZCFIWIBFSA-N 1 0 240.267 0.329 20 5 BCBDRO C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000354578539 412245274 /nfs/dbraw/zinc/24/52/74/412245274.db2.gz YVSBTZZLSJKXHA-UHFFFAOYSA-N 1 0 249.274 1.059 20 5 BCBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[NH2+]C1 ZINC000071310096 172337476 /nfs/dbraw/zinc/33/74/76/172337476.db2.gz INLQFABDQBDBRH-SSDOTTSWSA-N 1 0 238.247 0.357 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)C1 ZINC000037647702 173117691 /nfs/dbraw/zinc/11/76/91/173117691.db2.gz RLDZWZHEMRZFFG-QMMMGPOBSA-N 1 0 239.279 0.692 20 5 BCBDRO C[NH2+]CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676252 173328703 /nfs/dbraw/zinc/32/87/03/173328703.db2.gz HCWCZZZFBVRZFR-UHFFFAOYSA-N 1 0 237.259 0.473 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000070303631 173352847 /nfs/dbraw/zinc/35/28/47/173352847.db2.gz BRSVGCBSRQMCKS-UHFFFAOYSA-N 1 0 237.259 0.886 20 5 BCBDRO C[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054244447 173354922 /nfs/dbraw/zinc/35/49/22/173354922.db2.gz XZILBOPPRBBMNH-UHFFFAOYSA-N 1 0 238.247 0.936 20 5 BCBDRO C[NH2+]CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135223829 173355365 /nfs/dbraw/zinc/35/53/65/173355365.db2.gz KBRRIWJFROZSAA-UHFFFAOYSA-N 1 0 237.259 0.473 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000054244093 173355973 /nfs/dbraw/zinc/35/59/73/173355973.db2.gz VZVHFDSIENRQKL-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269187807 175709727 /nfs/dbraw/zinc/70/97/27/175709727.db2.gz GNYKCSLQVXFEID-LURJTMIESA-N 1 0 226.236 0.342 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285978393 175710671 /nfs/dbraw/zinc/71/06/71/175710671.db2.gz HPGGHKRKPRCCKC-LURJTMIESA-N 1 0 238.247 0.254 20 5 BCBDRO CO[C@]1(C[NH2+]CC[N+](=O)[O-])CCSC1 ZINC000905546861 637841500 /nfs/dbraw/zinc/84/15/00/637841500.db2.gz PTTBTCPEZSQNGF-QMMMGPOBSA-N 1 0 220.294 0.375 20 5 BCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H](C)[NH3+] ZINC000394472676 323037253 /nfs/dbraw/zinc/03/72/53/323037253.db2.gz NLIRDSRTWFGMLS-NKWVEPMBSA-N 1 0 240.263 0.399 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1C ZINC000049099934 323157666 /nfs/dbraw/zinc/15/76/66/323157666.db2.gz ZSUCDTPASFEBHX-QMMMGPOBSA-N 1 0 239.279 0.834 20 5 BCBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000566480747 326055682 /nfs/dbraw/zinc/05/56/82/326055682.db2.gz CDPFIFGPSBYBMZ-VIFPVBQESA-N 1 0 242.279 0.412 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+](C)C)CC1 ZINC000894232777 583385502 /nfs/dbraw/zinc/38/55/02/583385502.db2.gz IJIPFMTWZIILMI-UHFFFAOYSA-N 1 0 239.279 0.834 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C[C@H]2CO)n1 ZINC000880485616 583544267 /nfs/dbraw/zinc/54/42/67/583544267.db2.gz DVWACEHHLGDGRW-VIFPVBQESA-N 1 0 238.247 0.024 20 5 BCBDRO C[C@H]1CCC[N@H+](CCNCC[N+](=O)[O-])C1 ZINC000899871571 584244514 /nfs/dbraw/zinc/24/45/14/584244514.db2.gz RCFNYTAFCOKAPI-JTQLQIEISA-N 1 0 215.297 0.585 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCOC[C@H]1CCCO1 ZINC000899865564 584245686 /nfs/dbraw/zinc/24/56/86/584245686.db2.gz IEPKMWDENGOXSJ-SNVBAGLBSA-N 1 0 232.280 0.438 20 5 BCBDRO C[C@H]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000899891939 584248706 /nfs/dbraw/zinc/24/87/06/584248706.db2.gz NGQRJUJYTABFTO-IUCAKERBSA-N 1 0 202.254 0.810 20 5 BCBDRO C[NH+]1CCC2(CCN2CC[N+](=O)[O-])CC1 ZINC000899910431 584253024 /nfs/dbraw/zinc/25/30/24/584253024.db2.gz KQFPJGBMXPGYQW-UHFFFAOYSA-N 1 0 213.281 0.433 20 5 BCBDRO CN(Cc1cccnc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000886838376 585182485 /nfs/dbraw/zinc/18/24/85/585182485.db2.gz WMPPNUHRXHJAMO-UHFFFAOYSA-N 1 0 236.275 0.911 20 5 BCBDRO C[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644940 585205000 /nfs/dbraw/zinc/20/50/00/585205000.db2.gz FYFRKUWEWHEMOB-KCJUWKMLSA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@H]1COCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000753992059 585274500 /nfs/dbraw/zinc/27/45/00/585274500.db2.gz HUQBDLHFMHVNCY-SECBINFHSA-N 1 0 240.263 0.717 20 5 BCBDRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839650491 585333480 /nfs/dbraw/zinc/33/34/80/585333480.db2.gz UPCRHPGVIRVWMB-NXEZZACHSA-N 1 0 241.291 0.206 20 5 BCBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1C ZINC000839712299 585337916 /nfs/dbraw/zinc/33/79/16/585337916.db2.gz HAWVQUJFZSXDQO-IVZWLZJFSA-N 1 0 241.291 0.204 20 5 BCBDRO C[NH+](C)[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791051584 585972557 /nfs/dbraw/zinc/97/25/57/585972557.db2.gz FXHRSKUCDOYVEP-VIFPVBQESA-N 1 0 201.270 0.289 20 5 BCBDRO CC(=O)NC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791052009 585972705 /nfs/dbraw/zinc/97/27/05/585972705.db2.gz JUYFHHWTNKJBLC-SNVBAGLBSA-N 1 0 229.280 0.111 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(C2OCCO2)CC1 ZINC000791051556 585972844 /nfs/dbraw/zinc/97/28/44/585972844.db2.gz DTHZOYDATYRVBF-UHFFFAOYSA-N 1 0 230.264 0.348 20 5 BCBDRO O=[N+]([O-])CCN1CCc2ccccc2[C@H]1CO ZINC000798196140 586139950 /nfs/dbraw/zinc/13/99/50/586139950.db2.gz MECIUJLSJPDRHI-GFCCVEGCSA-N 1 0 236.271 0.855 20 5 BCBDRO CC(C)[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])[NH+](C)C ZINC000814037211 586612220 /nfs/dbraw/zinc/61/22/20/586612220.db2.gz UJUWXJUPBXUUEF-IUCAKERBSA-N 1 0 232.280 0.781 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)C2CC2)c1 ZINC000819176030 586935249 /nfs/dbraw/zinc/93/52/49/586935249.db2.gz GLCICKCHGUHEJY-JTQLQIEISA-N 1 0 240.263 0.152 20 5 BCBDRO CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840411734 587099332 /nfs/dbraw/zinc/09/93/32/587099332.db2.gz XRMJHKCIJNWXQP-RKDXNWHRSA-N 1 0 229.280 0.062 20 5 BCBDRO CC[NH+](CC)CCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673715 587916412 /nfs/dbraw/zinc/91/64/12/587916412.db2.gz ZIZWGXVUXYMQQX-NXEZZACHSA-N 1 0 244.291 0.927 20 5 BCBDRO CC(C)(CCc1noc(CC[NH3+])n1)[N+](=O)[O-] ZINC000843233030 588094454 /nfs/dbraw/zinc/09/44/54/588094454.db2.gz GXRQJXKOXRUIIP-UHFFFAOYSA-N 1 0 228.252 0.559 20 5 BCBDRO CC(C)(Cn1cc(CCCC[NH3+])nn1)[N+](=O)[O-] ZINC000864641847 589386923 /nfs/dbraw/zinc/38/69/23/589386923.db2.gz DKPSDGUFFBUUKT-UHFFFAOYSA-N 1 0 241.295 0.615 20 5 BCBDRO CC(C)(Cn1cc(C[NH2+]C2CC2)nn1)[N+](=O)[O-] ZINC000864642423 589386952 /nfs/dbraw/zinc/38/69/52/589386952.db2.gz OMTASBBLVAPEMS-UHFFFAOYSA-N 1 0 239.279 0.585 20 5 BCBDRO CC[C@@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642861 589387276 /nfs/dbraw/zinc/38/72/76/589387276.db2.gz YLSAXZNZHCVKMD-SSDOTTSWSA-N 1 0 227.268 0.743 20 5 BCBDRO CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867952754 589541505 /nfs/dbraw/zinc/54/15/05/589541505.db2.gz FAUIDUDDNMPLCV-NSHDSACASA-N 1 0 237.259 0.905 20 5 BCBDRO C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123552003 589749996 /nfs/dbraw/zinc/74/99/96/589749996.db2.gz CKSGTKUCAKQJDU-GZMMTYOYSA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123551536 589750443 /nfs/dbraw/zinc/75/04/43/589750443.db2.gz CKSGTKUCAKQJDU-KWQFWETISA-N 1 0 240.259 0.599 20 5 BCBDRO Cn1cc(C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])n1 ZINC000878419884 590564240 /nfs/dbraw/zinc/56/42/40/590564240.db2.gz JZSHGLKXFVTRMO-SECBINFHSA-N 1 0 240.263 0.189 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH3+])c1C ZINC000884005294 591792801 /nfs/dbraw/zinc/79/28/01/591792801.db2.gz AWBGLEKDNYHMEY-UHFFFAOYSA-N 1 0 237.259 0.900 20 5 BCBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1 ZINC000884823111 592022677 /nfs/dbraw/zinc/02/26/77/592022677.db2.gz MRMSTLPYNSWLEJ-UHFFFAOYSA-N 1 0 239.275 0.931 20 5 BCBDRO C[NH2+]CCN(C)Cc1cccnc1[N+](=O)[O-] ZINC000886839725 592359450 /nfs/dbraw/zinc/35/94/50/592359450.db2.gz KZWLAYZIHMZRDR-UHFFFAOYSA-N 1 0 224.264 0.641 20 5 BCBDRO CCN(CC[NH3+])Cc1cccnc1[N+](=O)[O-] ZINC000886841166 592360043 /nfs/dbraw/zinc/36/00/43/592360043.db2.gz DLDKIDGRMBYXCS-UHFFFAOYSA-N 1 0 224.264 0.770 20 5 BCBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1cccnc1[N+](=O)[O-] ZINC000886841258 592361570 /nfs/dbraw/zinc/36/15/70/592361570.db2.gz GNCQVORPHXNSSC-PSASIEDQSA-N 1 0 236.275 0.911 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC000891573859 631397473 /nfs/dbraw/zinc/39/74/73/631397473.db2.gz UCGBBEXDJJWZIW-UHFFFAOYSA-N 1 0 239.279 0.834 20 5 BCBDRO COC(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000934037532 631636351 /nfs/dbraw/zinc/63/63/51/631636351.db2.gz XDARUWWWOQVGJQ-MRVPVSSYSA-N 1 0 232.280 0.831 20 5 BCBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC[N+](=O)[O-] ZINC000930574804 633904598 /nfs/dbraw/zinc/90/45/98/633904598.db2.gz NDEAXONCLUKTNQ-JTQLQIEISA-N 1 0 215.297 0.535 20 5 BCBDRO C[NH+](C)C[C@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000309431640 633916740 /nfs/dbraw/zinc/91/67/40/633916740.db2.gz GKEZNKXMPHNQHW-ZCFIWIBFSA-N 1 0 246.292 0.386 20 5 BCBDRO CC1(C)C[C@@H](O)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930651118 633987043 /nfs/dbraw/zinc/98/70/43/633987043.db2.gz QUBGYPAJIGODIZ-VIFPVBQESA-N 1 0 216.281 0.746 20 5 BCBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCNC1=O ZINC000897872194 636840684 /nfs/dbraw/zinc/84/06/84/636840684.db2.gz GNQXLLBDYZXYJQ-LBPRGKRZSA-N 1 0 249.270 0.963 20 5 BCBDRO C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCNC1=O ZINC000897872602 636841546 /nfs/dbraw/zinc/84/15/46/636841546.db2.gz JAQVIGLTJSYPHS-GFCCVEGCSA-N 1 0 249.270 0.963 20 5 BCBDRO NOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000904458424 637420494 /nfs/dbraw/zinc/42/04/94/637420494.db2.gz YNGTZAKELOYGQT-UHFFFAOYSA-N 1 0 225.248 0.965 20 5 BCBDRO CN(C)c1ncccc1CNCC[N+](=O)[O-] ZINC000905047876 637565996 /nfs/dbraw/zinc/56/59/96/637565996.db2.gz HYGZESOXCXVZLX-UHFFFAOYSA-N 1 0 224.264 0.514 20 5 BCBDRO COC(=O)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905080014 637579874 /nfs/dbraw/zinc/57/98/74/637579874.db2.gz ATLKTFHHNKBLTI-MRVPVSSYSA-N 1 0 231.252 0.084 20 5 BCBDRO C[C@H](COCC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905066483 637597953 /nfs/dbraw/zinc/59/79/53/637597953.db2.gz RUXBCLZBPAUMBB-ZCFIWIBFSA-N 1 0 230.186 0.820 20 5 BCBDRO CC(C)[N@@H+]1CCC[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905073280 637607077 /nfs/dbraw/zinc/60/70/77/637607077.db2.gz VJOZIKLIHLMYBP-NSHDSACASA-N 1 0 229.324 0.973 20 5 BCBDRO CC[N@H+](CCNCC[N+](=O)[O-])C1CC1 ZINC000905098536 637607684 /nfs/dbraw/zinc/60/76/84/637607684.db2.gz UMQCBDGLXQXNCF-UHFFFAOYSA-N 1 0 201.270 0.337 20 5 BCBDRO O=[N+]([O-])CCN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000905103046 637612092 /nfs/dbraw/zinc/61/20/92/637612092.db2.gz WWFHDWTTYJQVAV-SNVBAGLBSA-N 1 0 213.281 0.337 20 5 BCBDRO CC[NH+](CC)C[C@H](C)NCC[N+](=O)[O-] ZINC000905109748 637618706 /nfs/dbraw/zinc/61/87/06/637618706.db2.gz GDWDTANIECBPPQ-VIFPVBQESA-N 1 0 203.286 0.583 20 5 BCBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]CC[N+](=O)[O-] ZINC000905158095 637639940 /nfs/dbraw/zinc/63/99/40/637639940.db2.gz DLOMRUSIVWNYAP-IUCAKERBSA-N 1 0 218.253 0.047 20 5 BCBDRO COc1cc(C[NH2+]CC[N+](=O)[O-])ccc1O ZINC000905176455 637684561 /nfs/dbraw/zinc/68/45/61/637684561.db2.gz RVTKTQNQDCYSMA-UHFFFAOYSA-N 1 0 226.232 0.767 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000905198918 637692459 /nfs/dbraw/zinc/69/24/59/637692459.db2.gz CPPSQKSGKLYFGY-SECBINFHSA-N 1 0 230.264 0.538 20 5 BCBDRO CO[C@H]1CCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905201094 637693808 /nfs/dbraw/zinc/69/38/08/637693808.db2.gz MRVZIBLTOXKNCP-BDAKNGLRSA-N 1 0 202.254 0.668 20 5 BCBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])[C@]12CCCO2 ZINC000905211299 637698499 /nfs/dbraw/zinc/69/84/99/637698499.db2.gz CEZSTSDNQLNBFT-HBNTYKKESA-N 1 0 244.291 0.579 20 5 BCBDRO COCCC(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905213890 637699332 /nfs/dbraw/zinc/69/93/32/637699332.db2.gz SJNXCZIVHBDCSD-UHFFFAOYSA-N 1 0 204.270 0.915 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000905215257 637699979 /nfs/dbraw/zinc/69/99/79/637699979.db2.gz MKRMEXBGKCLUBH-VHSXEESVSA-N 1 0 214.265 0.810 20 5 BCBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1OC ZINC000905214736 637699938 /nfs/dbraw/zinc/69/99/38/637699938.db2.gz VSALKVIYJDRCGV-DJLDLDEBSA-N 1 0 218.253 0.045 20 5 BCBDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905244045 637703330 /nfs/dbraw/zinc/70/33/30/637703330.db2.gz UCOVQDFOXONESV-SECBINFHSA-N 1 0 232.280 0.973 20 5 BCBDRO Cc1cccc(CC[NH2+]CC[N+](=O)[O-])n1 ZINC000905244664 637705458 /nfs/dbraw/zinc/70/54/58/637705458.db2.gz YZPQFVKWRFQUPG-UHFFFAOYSA-N 1 0 209.249 0.799 20 5 BCBDRO C[C@@H]1COCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905255121 637712289 /nfs/dbraw/zinc/71/22/89/637712289.db2.gz FAXFJBRJXBKBTB-BDAKNGLRSA-N 1 0 202.254 0.525 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCc1nccs1 ZINC000905262627 637717753 /nfs/dbraw/zinc/71/77/53/637717753.db2.gz XFKPTFFSTFDNFB-UHFFFAOYSA-N 1 0 215.278 0.942 20 5 BCBDRO Cc1ccc(CNCC[N+](=O)[O-])c(=O)n1C ZINC000905239011 637724288 /nfs/dbraw/zinc/72/42/88/637724288.db2.gz ZXKIPWBRRFWBDD-UHFFFAOYSA-N 1 0 225.248 0.060 20 5 BCBDRO Cc1n[nH]cc1CCC[NH2+]CC[N+](=O)[O-] ZINC000905293909 637726578 /nfs/dbraw/zinc/72/65/78/637726578.db2.gz BGNPSPNJIWFCSB-UHFFFAOYSA-N 1 0 212.253 0.517 20 5 BCBDRO CCC[C@@H](C)C(=O)NCC[NH2+]CC[N+](=O)[O-] ZINC000905269247 637730145 /nfs/dbraw/zinc/73/01/45/637730145.db2.gz VREZAQUYVMZUML-SECBINFHSA-N 1 0 231.296 0.405 20 5 BCBDRO Cc1cccnc1CC[NH2+]CC[N+](=O)[O-] ZINC000905278088 637734480 /nfs/dbraw/zinc/73/44/80/637734480.db2.gz FFDZWHBRALZJLE-UHFFFAOYSA-N 1 0 209.249 0.799 20 5 BCBDRO Cc1ccc(CC[NH2+]CC[N+](=O)[O-])nc1 ZINC000905280428 637735814 /nfs/dbraw/zinc/73/58/14/637735814.db2.gz NOZDYLPHZSXHPR-UHFFFAOYSA-N 1 0 209.249 0.799 20 5 BCBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905287249 637739038 /nfs/dbraw/zinc/73/90/38/637739038.db2.gz ADQRPGRPACOLQM-KYZUINATSA-N 1 0 229.280 0.144 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccccc1F ZINC000905341655 637782992 /nfs/dbraw/zinc/78/29/92/637782992.db2.gz PSNZQMPHNJEJSP-JTQLQIEISA-N 1 0 228.223 0.725 20 5 BCBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]CC[N+](=O)[O-] ZINC000905364411 637787847 /nfs/dbraw/zinc/78/78/47/637787847.db2.gz JFCVMBOCDAQETL-RKDXNWHRSA-N 1 0 228.248 0.958 20 5 BCBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000905365158 637787988 /nfs/dbraw/zinc/78/79/88/637787988.db2.gz ANKLLZLHSVXRPK-NTSWFWBYSA-N 1 0 230.186 0.555 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000905367833 637789761 /nfs/dbraw/zinc/78/97/61/637789761.db2.gz MDAVEDXXMKFILR-BDAKNGLRSA-N 1 0 202.254 0.404 20 5 BCBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905368013 637790009 /nfs/dbraw/zinc/79/00/09/637790009.db2.gz XMXUNDWNMUXDCU-BDAKNGLRSA-N 1 0 234.296 0.011 20 5 BCBDRO COC(=O)C1=CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905391153 637793966 /nfs/dbraw/zinc/79/39/66/637793966.db2.gz UHPLFZZSOPUHSV-MRVPVSSYSA-N 1 0 214.221 0.115 20 5 BCBDRO CC(C)(C)OC(=O)COCC[NH2+]CC[N+](=O)[O-] ZINC000905400088 637795654 /nfs/dbraw/zinc/79/56/54/637795654.db2.gz PPORRBBGTMZTRR-UHFFFAOYSA-N 1 0 248.279 0.211 20 5 BCBDRO CCOC1CC2(C[C@H]2[NH2+]CC[N+](=O)[O-])C1 ZINC000905414846 637801689 /nfs/dbraw/zinc/80/16/89/637801689.db2.gz CCORDJHUIZJTIK-HWOCKDDLSA-N 1 0 214.265 0.810 20 5 BCBDRO CN(C)[C@@H](CC[NH2+]CC[N+](=O)[O-])C(F)(F)F ZINC000905574819 637850522 /nfs/dbraw/zinc/85/05/22/637850522.db2.gz CPRPWPRUQSPYCQ-ZETCQYMHSA-N 1 0 243.229 0.735 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](CO)CCc1ccccc1 ZINC000905538629 637838366 /nfs/dbraw/zinc/83/83/66/637838366.db2.gz PZHSOWNKKDETNX-LBPRGKRZSA-N 1 0 238.287 0.846 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOC1CCOCC1 ZINC000905611074 637867261 /nfs/dbraw/zinc/86/72/61/637867261.db2.gz XBWKAYCSULGULT-UHFFFAOYSA-N 1 0 218.253 0.048 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000905647867 637882012 /nfs/dbraw/zinc/88/20/12/637882012.db2.gz JEUKBNSRQYXPPE-UWVGGRQHSA-N 1 0 214.265 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOC1CCSCC1 ZINC000905704233 637891025 /nfs/dbraw/zinc/89/10/25/637891025.db2.gz MNLKJFOPFKZMQO-UHFFFAOYSA-N 1 0 234.321 0.765 20 5 BCBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCOCC1 ZINC000930225237 639642773 /nfs/dbraw/zinc/64/27/73/639642773.db2.gz CRZGQLUMGNHEOS-MRVPVSSYSA-N 1 0 202.254 0.668 20 5 BCBDRO C[C@H]1OCC[C@@]12CN(CC[N+](=O)[O-])C[C@@H](C)O2 ZINC000930268760 639673631 /nfs/dbraw/zinc/67/36/31/639673631.db2.gz RDHRIMQMVKECOT-GMTAPVOTSA-N 1 0 244.291 0.531 20 5 BCBDRO [NH3+]CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911628787 639689564 /nfs/dbraw/zinc/68/95/64/639689564.db2.gz DXCHOQCLVKIXLB-GHMZBOCLSA-N 1 0 249.270 0.773 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000930376757 639740033 /nfs/dbraw/zinc/74/00/33/639740033.db2.gz OGPDGMMCZRLXIV-JTQLQIEISA-N 1 0 214.265 0.766 20 5 BCBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC[N+](=O)[O-] ZINC000930454634 639757447 /nfs/dbraw/zinc/75/74/47/639757447.db2.gz HQCKIGDUZLELFM-GHMZBOCLSA-N 1 0 243.307 0.058 20 5 BCBDRO CN(CC[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460349 639763256 /nfs/dbraw/zinc/76/32/56/639763256.db2.gz NVUYUNNJMFOCJQ-ZACCUICWSA-N 1 0 227.308 0.820 20 5 BCBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC[N+](=O)[O-] ZINC000930483829 639776580 /nfs/dbraw/zinc/77/65/80/639776580.db2.gz ZCLUYTWDYKWMMO-WDEREUQCSA-N 1 0 227.308 0.822 20 5 BCBDRO C[C@H]1CN(CC[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000930586892 639814369 /nfs/dbraw/zinc/81/43/69/639814369.db2.gz FOOIDOIMBZSHGO-JTQLQIEISA-N 1 0 227.308 0.679 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000930623364 639827708 /nfs/dbraw/zinc/82/77/08/639827708.db2.gz QMYZMEAORXIWAQ-HBNTYKKESA-N 1 0 228.292 0.889 20 5 BCBDRO CC1(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000930626957 639830781 /nfs/dbraw/zinc/83/07/81/639830781.db2.gz NQTULKJBSWFGDV-IWSPIJDZSA-N 1 0 214.265 0.666 20 5 BCBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930634889 639833733 /nfs/dbraw/zinc/83/37/33/639833733.db2.gz VJYQFDQCAOKBDX-HRDYMLBCSA-N 1 0 216.281 0.912 20 5 BCBDRO CON1CCC([N@H+](C)CC[N+](=O)[O-])CC1 ZINC000930687059 639850662 /nfs/dbraw/zinc/85/06/62/639850662.db2.gz QDSPUUULZQOUON-UHFFFAOYSA-N 1 0 217.269 0.221 20 5 BCBDRO CC1(C)C[N@H+](CC[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000930672136 639855591 /nfs/dbraw/zinc/85/55/91/639855591.db2.gz HBWKNOFKMWMGOQ-DTWKUNHWSA-N 1 0 214.265 0.620 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000930854316 639949986 /nfs/dbraw/zinc/94/99/86/639949986.db2.gz BBKKIRMGNYCOAY-UHFFFAOYSA-N 1 0 239.279 0.267 20 5 BCBDRO Cc1c(C[NH2+][C@H](C)C(N)=O)cccc1[N+](=O)[O-] ZINC000035794572 639964528 /nfs/dbraw/zinc/96/45/28/639964528.db2.gz LTUWFEPDPFEQEE-MRVPVSSYSA-N 1 0 237.259 0.867 20 5 BCBDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000930908532 639982084 /nfs/dbraw/zinc/98/20/84/639982084.db2.gz ZEJANYRSWAXOIT-HLTSFMKQSA-N 1 0 229.280 0.237 20 5 BCBDRO Cn1cc(C2=CCCN(CC[N+](=O)[O-])C2)cn1 ZINC000930961029 639998499 /nfs/dbraw/zinc/99/84/99/639998499.db2.gz UTKCUPVMZKILOL-UHFFFAOYSA-N 1 0 236.275 0.786 20 5 BCBDRO C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])[C@@H]1CCO ZINC000930972224 640006403 /nfs/dbraw/zinc/00/64/03/640006403.db2.gz YMCDTICWVBCJIK-NXEZZACHSA-N 1 0 216.281 0.746 20 5 BCBDRO O=C1CCCN1C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931061902 640051728 /nfs/dbraw/zinc/05/17/28/640051728.db2.gz KFBCMMJILKKXMO-JTQLQIEISA-N 1 0 241.291 0.207 20 5 BCBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@@]1(C)CO ZINC000931065044 640054372 /nfs/dbraw/zinc/05/43/72/640054372.db2.gz DZFSHNCPGBYFJR-IUCAKERBSA-N 1 0 202.254 0.213 20 5 BCBDRO C[NH+]1C[C@@]2(C)CN(CC[N+](=O)[O-])C[C@]2(C)C1 ZINC000931311746 640147415 /nfs/dbraw/zinc/14/74/15/640147415.db2.gz MJSSNOHHVASAEF-QWRGUYRKSA-N 1 0 227.308 0.537 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000931504650 640236784 /nfs/dbraw/zinc/23/67/84/640236784.db2.gz JJHOAWUFGPDXDM-DCAQKATOSA-N 1 0 228.292 0.889 20 5 BCBDRO Nc1cc[nH+]c2c1CN(CC[N+](=O)[O-])CC2 ZINC000931515719 640247068 /nfs/dbraw/zinc/24/70/68/640247068.db2.gz BSSUHRSFIYUXOL-UHFFFAOYSA-N 1 0 222.248 0.299 20 5 BCBDRO C[N@@H+]1CC[C@@H]2CN(CC[N+](=O)[O-])CC[C@@H]21 ZINC000931545173 640266381 /nfs/dbraw/zinc/26/63/81/640266381.db2.gz BDJFBKFNLXWQAG-ZJUUUORDSA-N 1 0 213.281 0.289 20 5 BCBDRO C[N@@H+]1CC[C@H]2CN(CC[N+](=O)[O-])CC[C@@H]21 ZINC000931545171 640267709 /nfs/dbraw/zinc/26/77/09/640267709.db2.gz BDJFBKFNLXWQAG-UWVGGRQHSA-N 1 0 213.281 0.289 20 5 BCBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC[N+](=O)[O-] ZINC000931620840 640292691 /nfs/dbraw/zinc/29/26/91/640292691.db2.gz HSKCAILIBNMMPW-NXEZZACHSA-N 1 0 213.281 0.432 20 5 BCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC[N+](=O)[O-] ZINC000931718387 640336122 /nfs/dbraw/zinc/33/61/22/640336122.db2.gz YLEVTMDLBNZQMN-VHSXEESVSA-N 1 0 213.281 0.432 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000931750982 640350595 /nfs/dbraw/zinc/35/05/95/640350595.db2.gz AUBNVOASWULQAK-UWVGGRQHSA-N 1 0 214.265 0.764 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000931750981 640351042 /nfs/dbraw/zinc/35/10/42/640351042.db2.gz AUBNVOASWULQAK-NXEZZACHSA-N 1 0 214.265 0.764 20 5 BCBDRO C[C@@H]1COC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000932496024 640558432 /nfs/dbraw/zinc/55/84/32/640558432.db2.gz KFHKUFFSYATSJL-RKDXNWHRSA-N 1 0 240.263 0.416 20 5 BCBDRO C[C@H]1COC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000932496023 640559012 /nfs/dbraw/zinc/55/90/12/640559012.db2.gz KFHKUFFSYATSJL-IUCAKERBSA-N 1 0 240.263 0.416 20 5 BCBDRO COC(=O)[C@@H]1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000933168147 640674887 /nfs/dbraw/zinc/67/48/87/640674887.db2.gz WXVCVMNUDPVVMD-RKDXNWHRSA-N 1 0 230.264 0.537 20 5 BCBDRO O=C1CC[N@H+](CC[N+](=O)[O-])CCCCCN1 ZINC000934151506 641092433 /nfs/dbraw/zinc/09/24/33/641092433.db2.gz ADSJECYVNOFAPC-UHFFFAOYSA-N 1 0 229.280 0.255 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934399849 641141015 /nfs/dbraw/zinc/14/10/15/641141015.db2.gz PSZYDPCEYABBOL-SECBINFHSA-N 1 0 230.264 0.191 20 5 BCBDRO C[N@@H+]1CCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000916730901 641973305 /nfs/dbraw/zinc/97/33/05/641973305.db2.gz OXPFWTDCTDMLFX-ZETCQYMHSA-N 1 0 211.225 0.281 20 5 BCBDRO COc1cc([N+](=O)[O-])cnc1NCC[NH+](C)C ZINC000891415610 642494657 /nfs/dbraw/zinc/49/46/57/642494657.db2.gz IANSFTTXIXKVCN-UHFFFAOYSA-N 1 0 240.263 0.972 20 5 BCBDRO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccccc1[N+](=O)[O-] ZINC000090281900 643125932 /nfs/dbraw/zinc/12/59/32/643125932.db2.gz HBNNCOUBWLLUMN-RKDXNWHRSA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@H]([NH2+]C[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090282194 643127172 /nfs/dbraw/zinc/12/71/72/643127172.db2.gz RTONMFMKKNKTRV-KWQFWETISA-N 1 0 240.259 0.599 20 5 BCBDRO O=[N+]([O-])c1ccc(C[NH2+]C(CO)CO)cc1F ZINC000094773839 644726324 /nfs/dbraw/zinc/72/63/24/644726324.db2.gz REPLYWROPWFIOR-UHFFFAOYSA-N 1 0 244.222 0.177 20 5 BCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000928557139 645817413 /nfs/dbraw/zinc/81/74/13/645817413.db2.gz WORZRCBDBDKJDE-SECBINFHSA-N 1 0 243.307 0.642 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1CCO ZINC000930369413 645935449 /nfs/dbraw/zinc/93/54/49/645935449.db2.gz AATLTPSCZBCEJY-JTQLQIEISA-N 1 0 216.281 0.890 20 5 BCBDRO O=[N+]([O-])CCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000929129386 645960913 /nfs/dbraw/zinc/96/09/13/645960913.db2.gz OKYWUHVKADGJQV-LLVKDONJSA-N 1 0 243.307 0.060 20 5 BCBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000929165789 645985492 /nfs/dbraw/zinc/98/54/92/645985492.db2.gz WLMMBOBQVMABPS-SNVBAGLBSA-N 1 0 240.259 0.380 20 5 BCBDRO COC(=O)CC[N@H+](CC[N+](=O)[O-])C(C)C ZINC000929635189 646212674 /nfs/dbraw/zinc/21/26/74/646212674.db2.gz LWABVEROMLHZRK-UHFFFAOYSA-N 1 0 218.253 0.537 20 5 BCBDRO Cn1cc(C[C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)cn1 ZINC000929766943 646297019 /nfs/dbraw/zinc/29/70/19/646297019.db2.gz BTVUJGLISYFPCN-JTQLQIEISA-N 1 0 238.291 0.561 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000930097887 646434422 /nfs/dbraw/zinc/43/44/22/646434422.db2.gz SLGQCSDYJIUHLN-BDAKNGLRSA-N 1 0 202.254 0.356 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000930097889 646434555 /nfs/dbraw/zinc/43/45/55/646434555.db2.gz SLGQCSDYJIUHLN-IUCAKERBSA-N 1 0 202.254 0.356 20 5 BCBDRO C[C@]12C[NH2+]C[C@H]1CN(c1ncc([N+](=O)[O-])cn1)C2 ZINC000703566623 712080779 /nfs/dbraw/zinc/08/07/79/712080779.db2.gz JKUZPOCADRXTDK-GZMMTYOYSA-N 1 0 249.274 0.431 20 5 BCBDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000717391511 712653813 /nfs/dbraw/zinc/65/38/13/712653813.db2.gz BAPPIFFPHYFFPM-LDYMZIIASA-N 1 0 240.259 0.426 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000930590378 712712877 /nfs/dbraw/zinc/71/28/77/712712877.db2.gz SLMJQXXMMUOPOK-GHMZBOCLSA-N 1 0 244.291 0.173 20 5 BCBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000719571361 712811259 /nfs/dbraw/zinc/81/12/59/712811259.db2.gz GTFKTSGVCGFRDA-CBAPKCEASA-N 1 0 237.263 0.889 20 5 BCBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000292300556 398185500 /nfs/dbraw/zinc/18/55/00/398185500.db2.gz UUUIFDHAZNAJET-SECBINFHSA-N 1 0 242.279 0.494 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000052092881 178270886 /nfs/dbraw/zinc/27/08/86/178270886.db2.gz ZFKHBWMHJWGKBZ-SECBINFHSA-N 1 0 249.270 0.995 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000052092882 178271627 /nfs/dbraw/zinc/27/16/27/178271627.db2.gz ZFKHBWMHJWGKBZ-VIFPVBQESA-N 1 0 249.270 0.995 20 5 BCBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)CO ZINC000602554346 349596273 /nfs/dbraw/zinc/59/62/73/349596273.db2.gz HARXOXTULQFQCL-HTQZYQBOSA-N 1 0 242.279 0.435 20 5 BCBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCO)cc1 ZINC000035677765 342754737 /nfs/dbraw/zinc/75/47/37/342754737.db2.gz BZOGBAPPHTZOBP-UHFFFAOYSA-N 1 0 210.233 0.719 20 5 BCBDRO CC[N@H+](C)C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000309296167 259342682 /nfs/dbraw/zinc/34/26/82/259342682.db2.gz XAOOLJJOPSXTBR-QMMMGPOBSA-N 1 0 228.252 0.104 20 5 BCBDRO O=[N+]([O-])c1cnccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000112335763 343128784 /nfs/dbraw/zinc/12/87/84/343128784.db2.gz VVIQMWDMPWDXGF-RKDXNWHRSA-N 1 0 234.259 0.645 20 5 BCBDRO C[C@@H](C[NH+](C)C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310251597 343401203 /nfs/dbraw/zinc/40/12/03/343401203.db2.gz OEABPKWWKYSKEQ-ZETCQYMHSA-N 1 0 239.279 0.934 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NCC[C@H]1CCC[NH2+]1 ZINC000166842834 136364351 /nfs/dbraw/zinc/36/43/51/136364351.db2.gz ZOEUMKMOXYGPDA-MRVPVSSYSA-N 1 0 239.279 0.882 20 5 BCBDRO Cc1cc(C(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000021952705 343804554 /nfs/dbraw/zinc/80/45/54/343804554.db2.gz INHPIBYZOBPFRD-UHFFFAOYSA-N 1 0 249.270 0.949 20 5 BCBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC000080685241 344473382 /nfs/dbraw/zinc/47/33/82/344473382.db2.gz RUPMFNVTBQXDTQ-UHFFFAOYSA-N 1 0 224.264 0.988 20 5 BCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H](C)[NH3+] ZINC000381370784 344498731 /nfs/dbraw/zinc/49/87/31/344498731.db2.gz MMSGTDUCVIVRRU-NKWVEPMBSA-N 1 0 240.263 0.399 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000082573564 345436865 /nfs/dbraw/zinc/43/68/65/345436865.db2.gz ZLAYETNOZRHLET-RXMQYKEDSA-N 1 0 229.261 0.733 20 5 BCBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209508849 345736759 /nfs/dbraw/zinc/73/67/59/345736759.db2.gz QTTLLFAQZHOODI-SCZZXKLOSA-N 1 0 234.259 0.788 20 5 BCBDRO C[NH+](C)C[C@@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000589102064 346664817 /nfs/dbraw/zinc/66/48/17/346664817.db2.gz YARFJISACXTXPG-VIFPVBQESA-N 1 0 239.275 0.929 20 5 BCBDRO [NH3+]C1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000591668201 347683943 /nfs/dbraw/zinc/68/39/43/347683943.db2.gz OHIZDEMNKKAKGV-UHFFFAOYSA-N 1 0 247.254 0.975 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1C[C@H]1CC[NH2+]C1 ZINC000592158956 347745898 /nfs/dbraw/zinc/74/58/98/347745898.db2.gz ZQNPLZRJRAOLJZ-QMMMGPOBSA-N 1 0 210.237 0.709 20 5 BCBDRO O=[N+]([O-])c1ncccc1OCC1C[NH2+]C1 ZINC000592157802 347745907 /nfs/dbraw/zinc/74/59/07/347745907.db2.gz NAAOHSDLSMKHDS-UHFFFAOYSA-N 1 0 209.205 0.588 20 5 BCBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H]1CC[NH2+]C1 ZINC000592169377 347747036 /nfs/dbraw/zinc/74/70/36/347747036.db2.gz ZLCLOOJJDGOJQL-VIFPVBQESA-N 1 0 237.259 0.674 20 5 BCBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000593670132 347924954 /nfs/dbraw/zinc/92/49/54/347924954.db2.gz MBORFQZCSIOAKC-AOOOYVTPSA-N 1 0 249.270 0.948 20 5 BCBDRO CC(=O)N1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594512592 348061118 /nfs/dbraw/zinc/06/11/18/348061118.db2.gz WYALPVUEOWNPMF-UHFFFAOYSA-N 1 0 249.270 0.915 20 5 BCBDRO Cc1ccc(C[NH2+][C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000594967737 348161148 /nfs/dbraw/zinc/16/11/48/348161148.db2.gz VCYCMEOFKBPHPB-JTQLQIEISA-N 1 0 249.270 0.881 20 5 BCBDRO Cc1noc(C[NH2+][C@H](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595430269 348248436 /nfs/dbraw/zinc/24/84/36/348248436.db2.gz UFMKVKTYJQTLDZ-NKWVEPMBSA-N 1 0 243.263 0.998 20 5 BCBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595959099 348404849 /nfs/dbraw/zinc/40/48/49/348404849.db2.gz AVWXIQDTPRLOJT-UHFFFAOYSA-N 1 0 241.247 0.997 20 5 BCBDRO C[NH+](C)C[C@H](CO)Nc1ncc([N+](=O)[O-])s1 ZINC000596244101 348485851 /nfs/dbraw/zinc/48/58/51/348485851.db2.gz PDMMECBNMNOUKU-ZCFIWIBFSA-N 1 0 246.292 0.386 20 5 BCBDRO CN(CC[NH+](C)C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596152878 348453268 /nfs/dbraw/zinc/45/32/68/348453268.db2.gz QABUKUIPFJUARU-UHFFFAOYSA-N 1 0 240.263 0.693 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](O)C2)c1 ZINC000205425445 348515380 /nfs/dbraw/zinc/51/53/80/348515380.db2.gz RRYHZHBUPJFIBQ-JTQLQIEISA-N 1 0 240.263 0.248 20 5 BCBDRO Cc1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000090692725 179622717 /nfs/dbraw/zinc/62/27/17/179622717.db2.gz LRCGNCOMKFZQMO-AOOOYVTPSA-N 1 0 248.286 0.954 20 5 BCBDRO C[NH2+]C1(CNc2c([N+](=O)[O-])ncn2C)CCC1 ZINC000598636467 349014150 /nfs/dbraw/zinc/01/41/50/349014150.db2.gz XVHRQVHDQRJERF-UHFFFAOYSA-N 1 0 239.279 0.882 20 5 BCBDRO Cc1nn(C)c(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000168975393 180359099 /nfs/dbraw/zinc/35/90/99/180359099.db2.gz YTVQORAHXIXYEI-ZETCQYMHSA-N 1 0 241.295 0.999 20 5 BCBDRO Cc1c(CNC(=O)C[NH3+])cccc1[N+](=O)[O-] ZINC000231856628 351411649 /nfs/dbraw/zinc/41/16/49/351411649.db2.gz KYPVMDDMIWHBCX-UHFFFAOYSA-N 1 0 223.232 0.478 20 5 BCBDRO Cc1c(CNC(=O)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231855969 351411935 /nfs/dbraw/zinc/41/19/35/351411935.db2.gz IURNRJSIMSBAOZ-MRVPVSSYSA-N 1 0 237.259 0.867 20 5 BCBDRO CC(C)([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000132821416 187534205 /nfs/dbraw/zinc/53/42/05/187534205.db2.gz QJIKPAKAFZVWCT-UHFFFAOYSA-N 1 0 226.236 0.390 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000082576835 538109476 /nfs/dbraw/zinc/10/94/76/538109476.db2.gz DOCKFBLGQBKWFX-RXMQYKEDSA-N 1 0 213.193 0.265 20 5 BCBDRO C[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1F ZINC000420217076 192192872 /nfs/dbraw/zinc/19/28/72/192192872.db2.gz IAFLONIUYZXXNM-ZETCQYMHSA-N 1 0 240.238 0.927 20 5 BCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000420237357 192183061 /nfs/dbraw/zinc/18/30/61/192183061.db2.gz MDSJOHUTWKHQSA-ZETCQYMHSA-N 1 0 240.238 0.927 20 5 BCBDRO Cc1nc(N[C@H](C)[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000420254527 192188363 /nfs/dbraw/zinc/18/83/63/192188363.db2.gz AARHSUBMLVVJDJ-PHDIDXHHSA-N 1 0 225.252 0.841 20 5 BCBDRO Cc1nc(N(C)C2C[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420258442 192188844 /nfs/dbraw/zinc/18/88/44/192188844.db2.gz LIBYCIBXDHZHCX-UHFFFAOYSA-N 1 0 223.236 0.101 20 5 BCBDRO Cc1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000090692727 363565787 /nfs/dbraw/zinc/56/57/87/363565787.db2.gz LRCGNCOMKFZQMO-UWVGGRQHSA-N 1 0 248.286 0.954 20 5 BCBDRO C[NH2+]CCCOc1cccnc1[N+](=O)[O-] ZINC000020524935 357936646 /nfs/dbraw/zinc/93/66/46/357936646.db2.gz UWRNZJIEOFKRGB-UHFFFAOYSA-N 1 0 211.221 0.978 20 5 BCBDRO O=[N+]([O-])c1cccc2ncnc(NC3C[NH2+]C3)c21 ZINC000583802811 357952734 /nfs/dbraw/zinc/95/27/34/357952734.db2.gz OACPUORKLOJLRC-UHFFFAOYSA-N 1 0 245.242 0.922 20 5 BCBDRO Nc1cc(Cn2ccc(=O)c([N+](=O)[O-])c2)ccn1 ZINC000212772905 358907016 /nfs/dbraw/zinc/90/70/16/358907016.db2.gz FZOXWNVYVLPDQU-UHFFFAOYSA-N 1 0 246.226 0.782 20 5 BCBDRO O=C1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000054257044 359736682 /nfs/dbraw/zinc/73/66/82/359736682.db2.gz KBPVEHDFSFOCJJ-UHFFFAOYSA-N 1 0 249.270 0.917 20 5 BCBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000054265781 359760492 /nfs/dbraw/zinc/76/04/92/359760492.db2.gz SVZMXXHWGJXDTR-UHFFFAOYSA-N 1 0 239.231 0.670 20 5 BCBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000054265485 359760754 /nfs/dbraw/zinc/76/07/54/359760754.db2.gz SLZIZILQUIBKDD-UHFFFAOYSA-N 1 0 238.247 0.405 20 5 BCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H](F)C2)n1 ZINC000451187373 202373079 /nfs/dbraw/zinc/37/30/79/202373079.db2.gz NFPKWTWNOMEFGX-MRVPVSSYSA-N 1 0 228.227 0.835 20 5 BCBDRO [NH3+]C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000083361906 181326938 /nfs/dbraw/zinc/32/69/38/181326938.db2.gz YYGPGZZKLGBNGK-UHFFFAOYSA-N 1 0 235.243 0.702 20 5 BCBDRO Cn1cncc1CCCn1cnc([N+](=O)[O-])n1 ZINC000579130907 366721688 /nfs/dbraw/zinc/72/16/88/366721688.db2.gz VKRLRLHAMUPPQL-UHFFFAOYSA-N 1 0 236.235 0.553 20 5 BCBDRO [NH3+]CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000158700250 181394101 /nfs/dbraw/zinc/39/41/01/181394101.db2.gz MFSBNYFZSRKHCK-UHFFFAOYSA-N 1 0 238.247 0.082 20 5 BCBDRO O=C([C@H]1CC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444142726 193036874 /nfs/dbraw/zinc/03/68/74/193036874.db2.gz KXZNIIGHJATZKL-SNVBAGLBSA-N 1 0 247.254 0.846 20 5 BCBDRO C[C@@H](CCC[NH3+])NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000581011078 367233833 /nfs/dbraw/zinc/23/38/33/367233833.db2.gz JONZREJVJQKNDO-LURJTMIESA-N 1 0 241.251 0.175 20 5 BCBDRO CC[N@H+](C)C[C@H](O)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000310407916 370343042 /nfs/dbraw/zinc/34/30/42/370343042.db2.gz OMWWAHNTQBZXSU-VIFPVBQESA-N 1 0 242.279 0.412 20 5 BCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[NH2+]CC1 ZINC000020213957 371241685 /nfs/dbraw/zinc/24/16/85/371241685.db2.gz VCJZOHGKQPBSGP-UHFFFAOYSA-N 1 0 238.247 0.358 20 5 BCBDRO C[NH+](C)C[C@@H](CO)Nc1ccsc1[N+](=O)[O-] ZINC000601163377 371731795 /nfs/dbraw/zinc/73/17/95/371731795.db2.gz IXVGSHGBAVSKAU-ZETCQYMHSA-N 1 0 245.304 0.991 20 5 BCBDRO CCN(CC[NH3+])CCn1cc([N+](=O)[O-])cn1 ZINC000600720070 371698593 /nfs/dbraw/zinc/69/85/93/371698593.db2.gz NHOLJNJHOXZKBJ-UHFFFAOYSA-N 1 0 227.268 0.072 20 5 BCBDRO C[N@H+](C[C@H](O)Cn1ccnc1[N+](=O)[O-])C1CC1 ZINC000601964325 371779895 /nfs/dbraw/zinc/77/98/95/371779895.db2.gz NMRPFAUJHRTSTR-VIFPVBQESA-N 1 0 240.263 0.246 20 5 BCBDRO C[C@H](CCO)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602705457 371832343 /nfs/dbraw/zinc/83/23/43/371832343.db2.gz LHLKGNSYLBJAAO-MRVPVSSYSA-N 1 0 242.279 0.531 20 5 BCBDRO O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602607595 371824562 /nfs/dbraw/zinc/82/45/62/371824562.db2.gz ZEYHTVVFZRHOMM-IUCAKERBSA-N 1 0 247.254 0.781 20 5 BCBDRO CC(C)N(CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602765583 371838152 /nfs/dbraw/zinc/83/81/52/371838152.db2.gz WHCKMVZLQJOTHG-UHFFFAOYSA-N 1 0 242.279 0.531 20 5 BCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000052093054 182038570 /nfs/dbraw/zinc/03/85/70/182038570.db2.gz CQDKBZGXNCTLSN-JTQLQIEISA-N 1 0 249.270 0.615 20 5 BCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000052093051 182046128 /nfs/dbraw/zinc/04/61/28/182046128.db2.gz FKOLSXDRZSKLKF-SNVBAGLBSA-N 1 0 249.270 0.615 20 5 BCBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000378185789 182119316 /nfs/dbraw/zinc/11/93/16/182119316.db2.gz YNIICASACCTCBC-FWLDNGTLSA-N 1 0 239.275 0.051 20 5 BCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000052093174 182335479 /nfs/dbraw/zinc/33/54/79/182335479.db2.gz OJAYNKLDDQTMPX-VIFPVBQESA-N 1 0 235.243 0.687 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000050228752 383975872 /nfs/dbraw/zinc/97/58/72/383975872.db2.gz VEKLAQBWKUDNSM-LURJTMIESA-N 1 0 224.220 0.096 20 5 BCBDRO C[N@@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187655679 384164519 /nfs/dbraw/zinc/16/45/19/384164519.db2.gz BMYDVHOQJDTKIW-SECBINFHSA-N 1 0 237.259 0.708 20 5 BCBDRO Cn1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000126978292 384236218 /nfs/dbraw/zinc/23/62/18/384236218.db2.gz NTAYIOYSEICRTH-UHFFFAOYSA-N 1 0 249.274 0.920 20 5 BCBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000336645936 384244871 /nfs/dbraw/zinc/24/48/71/384244871.db2.gz DJSKCSYKRCBBNM-ZCFIWIBFSA-N 1 0 226.236 0.390 20 5 BCBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000133606912 384304063 /nfs/dbraw/zinc/30/40/63/384304063.db2.gz PCUBLGQVVCRPCN-SECBINFHSA-N 1 0 249.270 0.934 20 5 BCBDRO COC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000070980158 384487392 /nfs/dbraw/zinc/48/73/92/384487392.db2.gz KIXGEJWSOLMHEH-LLVKDONJSA-N 1 0 240.259 0.692 20 5 BCBDRO COC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000234870723 384681003 /nfs/dbraw/zinc/68/10/03/384681003.db2.gz FLJQDSJZTPXYLS-SNVBAGLBSA-N 1 0 240.259 0.692 20 5 BCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000424099951 384714336 /nfs/dbraw/zinc/71/43/36/384714336.db2.gz JSHNETNLAJYJOW-WDEREUQCSA-N 1 0 249.270 0.601 20 5 BCBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000147918243 384863117 /nfs/dbraw/zinc/86/31/17/384863117.db2.gz IGQKXYQCGJGWLN-SSDOTTSWSA-N 1 0 238.247 0.357 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]([NH+](C)C)C1 ZINC000263979835 385190686 /nfs/dbraw/zinc/19/06/86/385190686.db2.gz AUBGXENTQUNQEH-MRVPVSSYSA-N 1 0 239.279 0.469 20 5 BCBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCO)CC2)n1 ZINC000365124995 385167079 /nfs/dbraw/zinc/16/70/79/385167079.db2.gz PTBOZWAVOABDMO-UHFFFAOYSA-N 1 0 240.263 0.421 20 5 BCBDRO Cc1cc(=O)n(CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000096548167 385288925 /nfs/dbraw/zinc/28/89/25/385288925.db2.gz QQQTVPPXJUGQKZ-UHFFFAOYSA-N 1 0 225.248 0.627 20 5 BCBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000340906160 385452728 /nfs/dbraw/zinc/45/27/28/385452728.db2.gz KQWJTCSBJZROAM-SCZZXKLOSA-N 1 0 240.263 0.246 20 5 BCBDRO Cn1c(C(=O)N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000052092919 385656689 /nfs/dbraw/zinc/65/66/89/385656689.db2.gz NIQBPVUSQJWJLK-SSDOTTSWSA-N 1 0 238.247 0.025 20 5 BCBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000265028298 385877848 /nfs/dbraw/zinc/87/78/48/385877848.db2.gz KNFWPDPGUQGWGQ-JTQLQIEISA-N 1 0 240.263 0.766 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000274460164 385981907 /nfs/dbraw/zinc/98/19/07/385981907.db2.gz UWNYXTKJLGBTKS-ZCFIWIBFSA-N 1 0 238.247 0.254 20 5 BCBDRO C[NH2+]CCSCCn1ccc([N+](=O)[O-])n1 ZINC000520806093 387201220 /nfs/dbraw/zinc/20/12/20/387201220.db2.gz ACRGLMUZSOJLKH-UHFFFAOYSA-N 1 0 230.293 0.744 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000162870037 387506014 /nfs/dbraw/zinc/50/60/14/387506014.db2.gz WXMRLAPEVRAGLM-AOOOYVTPSA-N 1 0 248.286 0.954 20 5 BCBDRO C[C@H](C[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000054345652 387510807 /nfs/dbraw/zinc/51/08/07/387510807.db2.gz SFNKVYMEBPOVIA-MRVPVSSYSA-N 1 0 237.259 0.806 20 5 BCBDRO Cc1ccc(C[NH2+]C[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000090282378 388403971 /nfs/dbraw/zinc/40/39/71/388403971.db2.gz PWCBGJBDNLWTSJ-SNVBAGLBSA-N 1 0 240.259 0.346 20 5 BCBDRO CC[NH2+]Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649300 388360517 /nfs/dbraw/zinc/36/05/17/388360517.db2.gz JYAUUEAUHLOFTO-UHFFFAOYSA-N 1 0 248.246 0.680 20 5 BCBDRO Cc1cc(C(=O)N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000054417447 388518789 /nfs/dbraw/zinc/51/87/89/388518789.db2.gz RARJPTBWNNJLJQ-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH3+] ZINC000037810224 388575633 /nfs/dbraw/zinc/57/56/33/388575633.db2.gz OOVVMJSCGBSUQP-UHFFFAOYSA-N 1 0 223.232 0.512 20 5 BCBDRO C[C@@H](NC(=O)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766498 388642603 /nfs/dbraw/zinc/64/26/03/388642603.db2.gz NTVZMXKDZFYNMH-SSDOTTSWSA-N 1 0 223.232 0.731 20 5 BCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000424127988 388694976 /nfs/dbraw/zinc/69/49/76/388694976.db2.gz QLMSQQZTJDHCDH-VHSXEESVSA-N 1 0 249.270 0.601 20 5 BCBDRO C[NH2+][C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430617221 388728618 /nfs/dbraw/zinc/72/86/18/388728618.db2.gz KWBOUFDQKOOBTP-VIFPVBQESA-N 1 0 239.279 0.085 20 5 BCBDRO O=[N+]([O-])c1ccn(CCN2CCC[NH2+]CC2)n1 ZINC000430652031 388729873 /nfs/dbraw/zinc/72/98/73/388729873.db2.gz WSINDRGZALEBAQ-UHFFFAOYSA-N 1 0 239.279 0.087 20 5 BCBDRO COc1cc(C(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC000156664506 388817145 /nfs/dbraw/zinc/81/71/45/388817145.db2.gz NGOBZESQBIKHGR-UHFFFAOYSA-N 1 0 239.231 0.292 20 5 BCBDRO CC[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174819045 134282431 /nfs/dbraw/zinc/28/24/31/134282431.db2.gz VBZDRWUNOHVIMY-UHFFFAOYSA-N 1 0 228.252 0.106 20 5 BCBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000070447165 134918965 /nfs/dbraw/zinc/91/89/65/134918965.db2.gz YQBAUWWZYBZXMS-QMMMGPOBSA-N 1 0 240.263 0.636 20 5 BCBDRO O=C1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1 ZINC000110911236 397904613 /nfs/dbraw/zinc/90/46/13/397904613.db2.gz CTUAPMYQNVYYMG-SNVBAGLBSA-N 1 0 249.270 0.963 20 5 BCBDRO CNC(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000042341953 322908523 /nfs/dbraw/zinc/90/85/23/322908523.db2.gz YPJPJJWSCJMQPT-QMMMGPOBSA-N 1 0 237.259 0.819 20 5 BCBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000054263461 170115551 /nfs/dbraw/zinc/11/55/51/170115551.db2.gz YBNDYYWAKOSGRJ-UHFFFAOYSA-N 1 0 227.220 0.527 20 5 BCBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000054263188 170115552 /nfs/dbraw/zinc/11/55/52/170115552.db2.gz HAUQBUSXGRQKRI-UHFFFAOYSA-N 1 0 240.263 0.273 20 5 BCBDRO CC[C@H]([NH3+])CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420261057 411750076 /nfs/dbraw/zinc/75/00/76/411750076.db2.gz KDLVDUBJJITKLS-ZETCQYMHSA-N 1 0 225.252 0.842 20 5 BCBDRO CC[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420261056 411726416 /nfs/dbraw/zinc/72/64/16/411726416.db2.gz KDLVDUBJJITKLS-SSDOTTSWSA-N 1 0 225.252 0.842 20 5 BCBDRO C[NH2+]CCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420140455 412290643 /nfs/dbraw/zinc/29/06/43/412290643.db2.gz QDUAIKOBORDQDJ-UHFFFAOYSA-N 1 0 225.252 0.715 20 5 BCBDRO C[NH2+]CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000420154038 412290843 /nfs/dbraw/zinc/29/08/43/412290843.db2.gz HVANNFVAYIRVEX-UHFFFAOYSA-N 1 0 247.258 1.169 20 5 BCBDRO CN(CC[NH3+])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000054417666 172732119 /nfs/dbraw/zinc/73/21/19/172732119.db2.gz UXUMCBGOFDLUJS-UHFFFAOYSA-N 1 0 223.232 0.626 20 5 BCBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230873033 173033430 /nfs/dbraw/zinc/03/34/30/173033430.db2.gz QMSUFCHWYGXGEG-MRVPVSSYSA-N 1 0 237.263 0.891 20 5 BCBDRO C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000278714708 173199318 /nfs/dbraw/zinc/19/93/18/173199318.db2.gz JOXLCOVUUMZFNP-DTORHVGOSA-N 1 0 249.274 0.383 20 5 BCBDRO C[NH2+]CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000043604490 173340951 /nfs/dbraw/zinc/34/09/51/173340951.db2.gz HCZRPQIQFFTSET-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000036279895 173348689 /nfs/dbraw/zinc/34/86/89/173348689.db2.gz VKGCKGZUFWKQFX-UHFFFAOYSA-N 1 0 227.220 0.527 20 5 BCBDRO COCC(C)(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000355932586 174082371 /nfs/dbraw/zinc/08/23/71/174082371.db2.gz MDFHSUOEGCUYPS-UHFFFAOYSA-N 1 0 242.279 0.843 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000237376378 175708075 /nfs/dbraw/zinc/70/80/75/175708075.db2.gz JJWBYCQIJZKPDT-QMMMGPOBSA-N 1 0 237.259 0.919 20 5 BCBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH3+] ZINC000563216326 323103051 /nfs/dbraw/zinc/10/30/51/323103051.db2.gz XWZXHYXMJDEYPC-PSASIEDQSA-N 1 0 239.279 0.070 20 5 BCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000320696325 323183363 /nfs/dbraw/zinc/18/33/63/323183363.db2.gz NIXSPGDTNSPXSW-NKWVEPMBSA-N 1 0 240.263 0.779 20 5 BCBDRO [NH3+]Cc1nnnn1Cc1csc([N+](=O)[O-])c1 ZINC000564926721 325827385 /nfs/dbraw/zinc/82/73/85/325827385.db2.gz MGGFGWGQXGOOCY-UHFFFAOYSA-N 1 0 240.248 0.150 20 5 BCBDRO COCC(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000177025132 536796886 /nfs/dbraw/zinc/79/68/86/536796886.db2.gz OVHYEJLNPPHPFU-UHFFFAOYSA-N 1 0 242.279 0.806 20 5 BCBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854653093 588799340 /nfs/dbraw/zinc/79/93/40/588799340.db2.gz WMURLKNWHJGBTN-SGIHWFKDSA-N 1 0 241.291 0.203 20 5 BCBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000893938827 583253977 /nfs/dbraw/zinc/25/39/77/583253977.db2.gz GJWHIWBZXXRDEQ-WPRPVWTQSA-N 1 0 249.274 0.525 20 5 BCBDRO Cn1ncc([N+](=O)[O-])c1N1CC(C[NH+](C)C)C1 ZINC000894022614 583274371 /nfs/dbraw/zinc/27/43/71/583274371.db2.gz YDHDNZOYAHVESH-UHFFFAOYSA-N 1 0 239.279 0.326 20 5 BCBDRO O=C(OCCC[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673373 583422590 /nfs/dbraw/zinc/42/25/90/583422590.db2.gz MJKBKBRRCWOQOI-NXEZZACHSA-N 1 0 242.275 0.681 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880486107 583544314 /nfs/dbraw/zinc/54/43/14/583544314.db2.gz LGLRFWWLUGDLDG-SECBINFHSA-N 1 0 238.247 0.024 20 5 BCBDRO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccco1 ZINC000899859675 584242847 /nfs/dbraw/zinc/24/28/47/584242847.db2.gz MDBXMOBUAXZWSQ-VIFPVBQESA-N 1 0 227.264 0.749 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOCC(F)(F)F ZINC000899866624 584243590 /nfs/dbraw/zinc/24/35/90/584243590.db2.gz PPBKKHWWFBHXOT-UHFFFAOYSA-N 1 0 216.159 0.432 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000899869364 584243766 /nfs/dbraw/zinc/24/37/66/584243766.db2.gz DIIFOGIGVHJBIQ-SNVBAGLBSA-N 1 0 228.223 0.725 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000899869363 584243906 /nfs/dbraw/zinc/24/39/06/584243906.db2.gz DIIFOGIGVHJBIQ-JTQLQIEISA-N 1 0 228.223 0.725 20 5 BCBDRO CC(C)[C@H](C[NH2+]CC[N+](=O)[O-])N1CCOCC1 ZINC000899864372 584244260 /nfs/dbraw/zinc/24/42/60/584244260.db2.gz IIHRJGRVTFTJPU-NSHDSACASA-N 1 0 245.323 0.210 20 5 BCBDRO C[C@H]1CN(CCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC000899865059 584245168 /nfs/dbraw/zinc/24/51/68/584245168.db2.gz PIFKGFYRTSBFTB-QWRGUYRKSA-N 1 0 245.323 0.352 20 5 BCBDRO C[C@H](CNCC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000899873992 584245361 /nfs/dbraw/zinc/24/53/61/584245361.db2.gz XCXYWTAXNURYKZ-SNVBAGLBSA-N 1 0 215.297 0.727 20 5 BCBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNCC[N+](=O)[O-] ZINC000899890403 584246160 /nfs/dbraw/zinc/24/61/60/584246160.db2.gz BNBIZEIQQOYFKT-VIFPVBQESA-N 1 0 215.297 0.726 20 5 BCBDRO C[C@@H]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000899891941 584248955 /nfs/dbraw/zinc/24/89/55/584248955.db2.gz NGQRJUJYTABFTO-RKDXNWHRSA-N 1 0 202.254 0.810 20 5 BCBDRO C[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644938 585205083 /nfs/dbraw/zinc/20/50/83/585205083.db2.gz FYFRKUWEWHEMOB-GZMMTYOYSA-N 1 0 240.259 0.599 20 5 BCBDRO CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839624256 585332519 /nfs/dbraw/zinc/33/25/19/585332519.db2.gz GFMKZOROIOJEPH-RKDXNWHRSA-N 1 0 229.280 0.108 20 5 BCBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839632749 585333181 /nfs/dbraw/zinc/33/31/81/585333181.db2.gz LBSAINRCRCXEFD-OPRDCNLKSA-N 1 0 241.291 0.204 20 5 BCBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839690600 585335297 /nfs/dbraw/zinc/33/52/97/585335297.db2.gz YKXDUQRMMOIEND-OPRDCNLKSA-N 1 0 243.307 0.354 20 5 BCBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839692793 585335454 /nfs/dbraw/zinc/33/54/54/585335454.db2.gz XDARFAQTKUOQBY-IWSPIJDZSA-N 1 0 229.280 0.108 20 5 BCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839672456 585336341 /nfs/dbraw/zinc/33/63/41/585336341.db2.gz HCDWOXBNJGPEQM-IVZWLZJFSA-N 1 0 241.291 0.110 20 5 BCBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1C ZINC000839712301 585337924 /nfs/dbraw/zinc/33/79/24/585337924.db2.gz HAWVQUJFZSXDQO-OPRDCNLKSA-N 1 0 241.291 0.204 20 5 BCBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839714404 585338184 /nfs/dbraw/zinc/33/81/84/585338184.db2.gz DYEBOIYRUCBEJD-AXTSPUMRSA-N 1 0 241.291 0.203 20 5 BCBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000839763236 585339101 /nfs/dbraw/zinc/33/91/01/585339101.db2.gz MEASHIIXXYWYQS-OPRDCNLKSA-N 1 0 241.291 0.204 20 5 BCBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774544 585341041 /nfs/dbraw/zinc/34/10/41/585341041.db2.gz BVNCABCRTHZFER-OPRDCNLKSA-N 1 0 243.307 0.497 20 5 BCBDRO CC(C)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791053810 585973243 /nfs/dbraw/zinc/97/32/43/585973243.db2.gz QABNEKPIOHJLST-UHFFFAOYSA-N 1 0 201.270 0.289 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000791054698 585973295 /nfs/dbraw/zinc/97/32/95/585973295.db2.gz PIPSXUCPOBDAKW-UHFFFAOYSA-N 1 0 239.279 0.267 20 5 BCBDRO O=[N+]([O-])CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000791053684 585973474 /nfs/dbraw/zinc/97/34/74/585973474.db2.gz VYXSJDWAIQHPCP-NSHDSACASA-N 1 0 227.308 0.823 20 5 BCBDRO O=[N+]([O-])CCN1CCc2ccccc2[C@@H]1CO ZINC000798196150 586140087 /nfs/dbraw/zinc/14/00/87/586140087.db2.gz MECIUJLSJPDRHI-LBPRGKRZSA-N 1 0 236.271 0.855 20 5 BCBDRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840357024 586884893 /nfs/dbraw/zinc/88/48/93/586884893.db2.gz NIGQIINOYBYPOL-NXEZZACHSA-N 1 0 243.307 0.452 20 5 BCBDRO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840473925 587185520 /nfs/dbraw/zinc/18/55/20/587185520.db2.gz CLHIMLWDHGICEY-HTQZYQBOSA-N 1 0 229.280 0.108 20 5 BCBDRO CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826604760 587356131 /nfs/dbraw/zinc/35/61/31/587356131.db2.gz RCHAEZCMHUUQAW-UHFFFAOYSA-N 1 0 245.323 0.842 20 5 BCBDRO O=c1c(F)cc([N+](=O)[O-])cn1C[C@H]1CC[NH2+]C1 ZINC000830418128 587550760 /nfs/dbraw/zinc/55/07/60/587550760.db2.gz BUSHWCDZTCWVKB-ZETCQYMHSA-N 1 0 241.222 0.505 20 5 BCBDRO C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843071824 588078985 /nfs/dbraw/zinc/07/89/85/588078985.db2.gz OJAFNLIOASTPDW-GZMMTYOYSA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843473713 588113770 /nfs/dbraw/zinc/11/37/70/588113770.db2.gz MJLQMHXWPYVFLW-LURJTMIESA-N 1 0 238.247 0.254 20 5 BCBDRO CNC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000849001858 588431334 /nfs/dbraw/zinc/43/13/34/588431334.db2.gz KMBHVHJKTNQMBC-UHFFFAOYSA-N 1 0 222.248 0.881 20 5 BCBDRO CC[C@](C)([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642252 589386884 /nfs/dbraw/zinc/38/68/84/589386884.db2.gz LFRMGQRKGQTHFV-JTQLQIEISA-N 1 0 241.295 0.917 20 5 BCBDRO C[C@@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642161 589387082 /nfs/dbraw/zinc/38/70/82/589387082.db2.gz ITYDUCAXNYPMJD-ZCFIWIBFSA-N 1 0 213.241 0.353 20 5 BCBDRO C[N@H+](CCO)CCNc1ncccc1[N+](=O)[O-] ZINC000884823457 592022898 /nfs/dbraw/zinc/02/28/98/592022898.db2.gz VAEVLXXIIMJLBA-UHFFFAOYSA-N 1 0 240.263 0.326 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886336278 592211449 /nfs/dbraw/zinc/21/14/49/592211449.db2.gz PDFINRJYIWATOV-DTORHVGOSA-N 1 0 222.248 0.743 20 5 BCBDRO [NH3+]C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886827427 592350063 /nfs/dbraw/zinc/35/00/63/592350063.db2.gz KTMAZUZDWFTFIS-UHFFFAOYSA-N 1 0 236.275 0.913 20 5 BCBDRO C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000309431639 633063390 /nfs/dbraw/zinc/06/33/90/633063390.db2.gz GKEZNKXMPHNQHW-LURJTMIESA-N 1 0 246.292 0.386 20 5 BCBDRO O=[N+]([O-])c1ccnn1CCC[NH2+]C1CC1 ZINC000899623526 637101782 /nfs/dbraw/zinc/10/17/82/637101782.db2.gz GUGIEBFPWLZDLY-UHFFFAOYSA-N 1 0 210.237 0.933 20 5 BCBDRO CCOC(=O)CCC[NH2+]CC[N+](=O)[O-] ZINC000905041264 637559375 /nfs/dbraw/zinc/55/93/75/637559375.db2.gz QVCAGUMYBNFMFN-UHFFFAOYSA-N 1 0 204.226 0.196 20 5 BCBDRO CN(CCC[NH2+]CC[N+](=O)[O-])CC(F)(F)F ZINC000905049346 637566141 /nfs/dbraw/zinc/56/61/41/637566141.db2.gz OVJIGGMXWWDNIA-UHFFFAOYSA-N 1 0 243.229 0.737 20 5 BCBDRO C[C@H](CNCC[N+](=O)[O-])C[NH+]1CCCC1 ZINC000905055793 637587648 /nfs/dbraw/zinc/58/76/48/637587648.db2.gz SLAGVBCPGNHHNQ-SNVBAGLBSA-N 1 0 215.297 0.585 20 5 BCBDRO CCC[N@@H+]1CC[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905064486 637599846 /nfs/dbraw/zinc/59/98/46/637599846.db2.gz AGYIFJJTDRVIDM-JTQLQIEISA-N 1 0 215.297 0.585 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOC[C@H]1CCCO1 ZINC000905120903 637627766 /nfs/dbraw/zinc/62/77/66/637627766.db2.gz IESLVZFCMNVCQR-SECBINFHSA-N 1 0 218.253 0.048 20 5 BCBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905153479 637635713 /nfs/dbraw/zinc/63/57/13/637635713.db2.gz FMSAUELFMIYQHK-LSYCYVAJSA-N 1 0 248.348 0.933 20 5 BCBDRO C[S@](=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905153741 637636286 /nfs/dbraw/zinc/63/62/86/637636286.db2.gz LHWGUEHPTRKBCQ-INIZCTEOSA-N 1 0 242.300 0.790 20 5 BCBDRO CC(C)C[N@@H+]1CC[C@H](CNCC[N+](=O)[O-])C1 ZINC000905158929 637639985 /nfs/dbraw/zinc/63/99/85/637639985.db2.gz LTBZTXXFXZTJBI-LLVKDONJSA-N 1 0 229.324 0.831 20 5 BCBDRO C[C@@H]1C[C@@H](NCC[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000905160976 637673327 /nfs/dbraw/zinc/67/33/27/637673327.db2.gz RGQODTGAZXLTDB-RKDXNWHRSA-N 1 0 213.281 0.478 20 5 BCBDRO CO[C@@H](CC[NH2+]CC[N+](=O)[O-])C(F)(F)F ZINC000905232147 637691351 /nfs/dbraw/zinc/69/13/51/637691351.db2.gz WYOXMSYZKBDRIX-LURJTMIESA-N 1 0 230.186 0.820 20 5 BCBDRO CCC(O)(CC)CC[NH2+]CC[N+](=O)[O-] ZINC000905230852 637690263 /nfs/dbraw/zinc/69/02/63/637690263.db2.gz RWRSAMUWVQPCKA-UHFFFAOYSA-N 1 0 204.270 0.794 20 5 BCBDRO C[C@H]1C[N@H+](CCCNCC[N+](=O)[O-])CCCO1 ZINC000905232340 637691953 /nfs/dbraw/zinc/69/19/53/637691953.db2.gz NQKDNPQMWXOQJZ-NSHDSACASA-N 1 0 245.323 0.354 20 5 BCBDRO CO[C@H](CC[NH2+]CC[N+](=O)[O-])C(F)(F)F ZINC000905232149 637692271 /nfs/dbraw/zinc/69/22/71/637692271.db2.gz WYOXMSYZKBDRIX-ZCFIWIBFSA-N 1 0 230.186 0.820 20 5 BCBDRO C[S@](=O)C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905245081 637705285 /nfs/dbraw/zinc/70/52/85/637705285.db2.gz UYFSXFVJBOLWKP-AWEZNQCLSA-N 1 0 220.294 0.154 20 5 BCBDRO C[C@H]1COCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905255122 637711815 /nfs/dbraw/zinc/71/18/15/637711815.db2.gz FAXFJBRJXBKBTB-DTWKUNHWSA-N 1 0 202.254 0.525 20 5 BCBDRO COc1ccncc1CNCC[N+](=O)[O-] ZINC000905260513 637716264 /nfs/dbraw/zinc/71/62/64/637716264.db2.gz CINKBYPZLQVITE-UHFFFAOYSA-N 1 0 211.221 0.457 20 5 BCBDRO CCC[N@H+](CC)C[C@H](C)NCC[N+](=O)[O-] ZINC000905263657 637717897 /nfs/dbraw/zinc/71/78/97/637717897.db2.gz ODPZWPGFLMPHHO-JTQLQIEISA-N 1 0 217.313 0.973 20 5 BCBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905242392 637726484 /nfs/dbraw/zinc/72/64/84/637726484.db2.gz JDNWEMJBUBUXHJ-MRVPVSSYSA-N 1 0 247.295 0.766 20 5 BCBDRO Cc1nccnc1CC[NH2+]CC[N+](=O)[O-] ZINC000905273134 637732030 /nfs/dbraw/zinc/73/20/30/637732030.db2.gz KBJAYGHCSYCNQO-UHFFFAOYSA-N 1 0 210.237 0.194 20 5 BCBDRO COC1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905284234 637737638 /nfs/dbraw/zinc/73/76/38/637737638.db2.gz LIHBKZRIOGBBQQ-UHFFFAOYSA-N 1 0 202.254 0.810 20 5 BCBDRO C[N@@H+]1CCC[C@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905286986 637739279 /nfs/dbraw/zinc/73/92/79/637739279.db2.gz UXNSLVNLNKHIHE-SNVBAGLBSA-N 1 0 215.297 0.585 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000905348265 637769208 /nfs/dbraw/zinc/76/92/08/637769208.db2.gz FDGPMMWNPHEDPS-NSHDSACASA-N 1 0 224.260 0.456 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000905348264 637770023 /nfs/dbraw/zinc/77/00/23/637770023.db2.gz FDGPMMWNPHEDPS-LLVKDONJSA-N 1 0 224.260 0.456 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccsc1 ZINC000905351692 637771670 /nfs/dbraw/zinc/77/16/70/637771670.db2.gz AZSLDBUSYCSOBC-QMMMGPOBSA-N 1 0 216.262 0.648 20 5 BCBDRO CC[C@H](C)C[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905358831 637777145 /nfs/dbraw/zinc/77/71/45/637777145.db2.gz QUPDIUNWGDLYDG-DTWKUNHWSA-N 1 0 204.270 0.650 20 5 BCBDRO Cc1cccc([C@@H](O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905361496 637778577 /nfs/dbraw/zinc/77/85/77/637778577.db2.gz PLRQUZRECNGVOX-NSHDSACASA-N 1 0 224.260 0.895 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000905362043 637780039 /nfs/dbraw/zinc/78/00/39/637780039.db2.gz RRYDCHDLIDFLAN-GFCCVEGCSA-N 1 0 238.287 0.846 20 5 BCBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCCC[C@@H]1O ZINC000905361603 637780715 /nfs/dbraw/zinc/78/07/15/637780715.db2.gz QFPKDPPXBJRAMR-UWVGGRQHSA-N 1 0 216.281 0.794 20 5 BCBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000905365159 637788365 /nfs/dbraw/zinc/78/83/65/637788365.db2.gz ANKLLZLHSVXRPK-PHDIDXHHSA-N 1 0 230.186 0.555 20 5 BCBDRO CCC[N@@H+]1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905372565 637792063 /nfs/dbraw/zinc/79/20/63/637792063.db2.gz NNZHDPUFOCVOPZ-VIFPVBQESA-N 1 0 201.270 0.337 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000905400290 637794694 /nfs/dbraw/zinc/79/46/94/637794694.db2.gz QHQKLGPKBIKLOY-RXKWGBCNSA-N 1 0 212.249 0.276 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000905400292 637795774 /nfs/dbraw/zinc/79/57/74/637795774.db2.gz QHQKLGPKBIKLOY-WLRJLXCNSA-N 1 0 212.249 0.276 20 5 BCBDRO Cn1cc(CC[NH2+]CC[N+](=O)[O-])c2cccnc21 ZINC000905408145 637799056 /nfs/dbraw/zinc/79/90/56/637799056.db2.gz ICKZDTBIDLYLJP-UHFFFAOYSA-N 1 0 248.286 0.982 20 5 BCBDRO CO[C@@]1(C[NH2+]CC[N+](=O)[O-])CCSC1 ZINC000905546860 637842517 /nfs/dbraw/zinc/84/25/17/637842517.db2.gz PTTBTCPEZSQNGF-MRVPVSSYSA-N 1 0 220.294 0.375 20 5 BCBDRO Cc1cccc(NCC[NH2+]CC[N+](=O)[O-])n1 ZINC000905611285 637867056 /nfs/dbraw/zinc/86/70/56/637867056.db2.gz XPQVDJNERYVMDK-UHFFFAOYSA-N 1 0 224.264 0.668 20 5 BCBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000905731300 637901619 /nfs/dbraw/zinc/90/16/19/637901619.db2.gz HPQZTWAQAQXCNJ-SFYZADRCSA-N 1 0 210.237 0.647 20 5 BCBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C1CCOCC1 ZINC000930225238 639644085 /nfs/dbraw/zinc/64/40/85/639644085.db2.gz CRZGQLUMGNHEOS-QMMMGPOBSA-N 1 0 202.254 0.668 20 5 BCBDRO C[C@@H]1CN(CC[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000930268475 639671660 /nfs/dbraw/zinc/67/16/60/639671660.db2.gz BMROWCMKGIOTSC-SCZZXKLOSA-N 1 0 214.265 0.762 20 5 BCBDRO C[C@]1(O)CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000930279238 639678204 /nfs/dbraw/zinc/67/82/04/639678204.db2.gz LTTRJDKTMQVGDX-VIFPVBQESA-N 1 0 202.254 0.500 20 5 BCBDRO CNC(=O)OC[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930491020 639782712 /nfs/dbraw/zinc/78/27/12/639782712.db2.gz KRDMJBRXDXLKPM-VIFPVBQESA-N 1 0 245.279 0.474 20 5 BCBDRO CC(C)[C@@]1(CO)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930584802 639814224 /nfs/dbraw/zinc/81/42/24/639814224.db2.gz PJMGBZSPZYGSMT-NSHDSACASA-N 1 0 230.308 0.994 20 5 BCBDRO CO[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1C ZINC000930634847 639834143 /nfs/dbraw/zinc/83/41/43/639834143.db2.gz OQEDJDAOWZKAMT-BDAKNGLRSA-N 1 0 202.254 0.620 20 5 BCBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930634891 639834198 /nfs/dbraw/zinc/83/41/98/639834198.db2.gz VJYQFDQCAOKBDX-XHNCKOQMSA-N 1 0 216.281 0.912 20 5 BCBDRO CC(C)[N@H+](CC[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000930736556 639882503 /nfs/dbraw/zinc/88/25/03/639882503.db2.gz APLHDACHPIAUQL-VIFPVBQESA-N 1 0 229.280 0.252 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000930753724 639896958 /nfs/dbraw/zinc/89/69/58/639896958.db2.gz GGLSJYPHXOOREB-VIFPVBQESA-N 1 0 214.265 0.643 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000930754271 639898386 /nfs/dbraw/zinc/89/83/86/639898386.db2.gz MYYFLYPKHFZQMZ-SNVBAGLBSA-N 1 0 216.281 0.748 20 5 BCBDRO C[C@H](CO)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930855758 639950669 /nfs/dbraw/zinc/95/06/69/639950669.db2.gz HJSGQRMLIYDVGO-SECBINFHSA-N 1 0 216.281 0.604 20 5 BCBDRO C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])[C@H]1CCO ZINC000930972228 640004133 /nfs/dbraw/zinc/00/41/33/640004133.db2.gz YMCDTICWVBCJIK-ZJUUUORDSA-N 1 0 216.281 0.746 20 5 BCBDRO C[C@]12COC[C@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000931021614 640025773 /nfs/dbraw/zinc/02/57/73/640025773.db2.gz ZUGSCRWKQKZVSL-BDAKNGLRSA-N 1 0 200.238 0.231 20 5 BCBDRO CC1(C)CC[C@H](CO)[N@H+](CC[N+](=O)[O-])C1 ZINC000931102459 640063217 /nfs/dbraw/zinc/06/32/17/640063217.db2.gz GOHXZBPOARTRLB-SECBINFHSA-N 1 0 216.281 0.746 20 5 BCBDRO O=[N+]([O-])CCN1CC[NH+](CCCF)CC1 ZINC000931292890 640137572 /nfs/dbraw/zinc/13/75/72/640137572.db2.gz HWCNNCJKULQKRD-UHFFFAOYSA-N 1 0 219.260 0.240 20 5 BCBDRO CCC(O)(CC)C[N@H+](C)CC[N+](=O)[O-] ZINC000931332125 640160137 /nfs/dbraw/zinc/16/01/37/640160137.db2.gz KVZUIYMSTFUABW-UHFFFAOYSA-N 1 0 204.270 0.746 20 5 BCBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931464637 640224127 /nfs/dbraw/zinc/22/41/27/640224127.db2.gz BIDIDZGQSXNCTK-ZETCQYMHSA-N 1 0 210.237 0.606 20 5 BCBDRO CC(C)(O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000931552647 640270423 /nfs/dbraw/zinc/27/04/23/640270423.db2.gz NRRBNFDZMGFDHV-UHFFFAOYSA-N 1 0 216.281 0.746 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000931750984 640349460 /nfs/dbraw/zinc/34/94/60/640349460.db2.gz AUBNVOASWULQAK-ZJUUUORDSA-N 1 0 214.265 0.764 20 5 BCBDRO C[N@@H+]1CCC[C@@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000916730900 641973777 /nfs/dbraw/zinc/97/37/77/641973777.db2.gz OXPFWTDCTDMLFX-SSDOTTSWSA-N 1 0 211.225 0.281 20 5 BCBDRO C[N@@H+]1CC[C@H](Cn2ccnc2[N+](=O)[O-])C1 ZINC000918377922 642192082 /nfs/dbraw/zinc/19/20/82/642192082.db2.gz NLGVLGRWDOCPFQ-QMMMGPOBSA-N 1 0 210.237 0.743 20 5 BCBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC[N+](=O)[O-] ZINC000933256135 642423413 /nfs/dbraw/zinc/42/34/13/642423413.db2.gz JXDJWLXNCNLILJ-LLVKDONJSA-N 1 0 229.324 0.925 20 5 BCBDRO CC(C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031660934 642495698 /nfs/dbraw/zinc/49/56/98/642495698.db2.gz XGDGOMLNBYNSST-NXEZZACHSA-N 1 0 241.291 0.108 20 5 BCBDRO C[C@@H]([NH2+]C[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090282195 643127990 /nfs/dbraw/zinc/12/79/90/643127990.db2.gz RTONMFMKKNKTRV-KCJUWKMLSA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@@H]([NH2+]C[C@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282426 643129390 /nfs/dbraw/zinc/12/93/90/643129390.db2.gz VUFZORXZPQNCPX-KCJUWKMLSA-N 1 0 240.259 0.599 20 5 BCBDRO CC[NH2+]CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015982 643577502 /nfs/dbraw/zinc/57/75/02/643577502.db2.gz JNVQZDQQMXUNTP-UHFFFAOYSA-N 1 0 237.259 0.821 20 5 BCBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000050246237 643662889 /nfs/dbraw/zinc/66/28/89/643662889.db2.gz ZZYKBWZJGAVMKC-ZETCQYMHSA-N 1 0 238.247 0.344 20 5 BCBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1[NH3+] ZINC000923513142 644482481 /nfs/dbraw/zinc/48/24/81/644482481.db2.gz UTLAZEZIDJLJRU-RKDXNWHRSA-N 1 0 239.279 0.070 20 5 BCBDRO Cn1nccc1[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929293366 646069414 /nfs/dbraw/zinc/06/94/14/646069414.db2.gz FUNFKVBRRQCZCJ-JTQLQIEISA-N 1 0 238.291 0.876 20 5 BCBDRO COCCC[N@H+](CCOC)CC[N+](=O)[O-] ZINC000929321835 646079826 /nfs/dbraw/zinc/07/98/26/646079826.db2.gz UHGJNQURQFGILQ-UHFFFAOYSA-N 1 0 220.269 0.248 20 5 BCBDRO COC(=O)CC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929329363 646081207 /nfs/dbraw/zinc/08/12/07/646081207.db2.gz FJLNLNCCXBPYKT-UHFFFAOYSA-N 1 0 230.264 0.538 20 5 BCBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929594946 646190504 /nfs/dbraw/zinc/19/05/04/646190504.db2.gz KRARSPJDAIKJPF-RKDXNWHRSA-N 1 0 202.254 0.498 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(n2cccn2)CC1 ZINC000929606355 646197096 /nfs/dbraw/zinc/19/70/96/646197096.db2.gz CCCXBHJUMHPUNJ-UHFFFAOYSA-N 1 0 224.264 0.797 20 5 BCBDRO COCCOC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929663278 646228951 /nfs/dbraw/zinc/22/89/51/646228951.db2.gz CSRISASNYYBFQT-UHFFFAOYSA-N 1 0 232.280 0.391 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000929757499 646288332 /nfs/dbraw/zinc/28/83/32/646288332.db2.gz RFGZXYJTOVJTIU-UHFFFAOYSA-N 1 0 214.265 0.766 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000930071233 646418880 /nfs/dbraw/zinc/41/88/80/646418880.db2.gz FEKLDHILGRARMR-ZJUUUORDSA-N 1 0 214.265 0.622 20 5 BCBDRO CN(CCc1cnccn1)CC[N+](=O)[O-] ZINC000930169640 646469009 /nfs/dbraw/zinc/46/90/09/646469009.db2.gz DLSYOSFHUWTIPE-UHFFFAOYSA-N 1 0 210.237 0.228 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000931005741 711706514 /nfs/dbraw/zinc/70/65/14/711706514.db2.gz JRXRSPRAPWWRSF-JTQLQIEISA-N 1 0 239.279 0.582 20 5 BCBDRO C[C@H]([NH2+]CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000037176687 711813158 /nfs/dbraw/zinc/81/31/58/711813158.db2.gz YVRBSWHLBCPGKE-ZETCQYMHSA-N 1 0 223.232 0.731 20 5 BCBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000715095227 712508322 /nfs/dbraw/zinc/50/83/22/712508322.db2.gz JDAWADZXTPPYEI-UWVGGRQHSA-N 1 0 249.270 0.806 20 5 BCBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000715098924 712509084 /nfs/dbraw/zinc/50/90/84/712509084.db2.gz VOEMBLWUZAKMBY-ONGXEEELSA-N 1 0 249.270 0.806 20 5 BCBDRO CC1(C)C[N@H+](CC[N+](=O)[O-])CC[C@@H]1O ZINC000930250775 712615552 /nfs/dbraw/zinc/61/55/52/712615552.db2.gz QWGSTCFKKCORDG-QMMMGPOBSA-N 1 0 202.254 0.356 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH3+] ZINC000111302976 178271831 /nfs/dbraw/zinc/27/18/31/178271831.db2.gz AAKFJSAWCRKXFD-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322839 178273653 /nfs/dbraw/zinc/27/36/53/178273653.db2.gz WWANVFAAXDVKNP-AOOOYVTPSA-N 1 0 248.286 0.954 20 5 BCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602603321 349626436 /nfs/dbraw/zinc/62/64/36/349626436.db2.gz OFUKPYVXYABAJO-BQBZGAKWSA-N 1 0 237.215 0.374 20 5 BCBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000046275734 343108511 /nfs/dbraw/zinc/10/85/11/343108511.db2.gz PIQKWXBLVYDQDI-SSDOTTSWSA-N 1 0 241.247 0.868 20 5 BCBDRO CC[N@H+](C)C[C@@H](O)Cn1nc([N+](=O)[O-])cc1C ZINC000380217105 343694828 /nfs/dbraw/zinc/69/48/28/343694828.db2.gz VJVUNYUWNFKJMO-SECBINFHSA-N 1 0 242.279 0.412 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000050228755 344659238 /nfs/dbraw/zinc/65/92/38/344659238.db2.gz HLEIIURCCKGEJW-SSDOTTSWSA-N 1 0 238.247 0.107 20 5 BCBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000363208621 344931151 /nfs/dbraw/zinc/93/11/51/344931151.db2.gz DPCIZNGTYUNXHX-NXEZZACHSA-N 1 0 241.291 0.206 20 5 BCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000381753088 345344984 /nfs/dbraw/zinc/34/49/84/345344984.db2.gz NSDWJXKJPCVUMW-RITPCOANSA-N 1 0 227.220 0.653 20 5 BCBDRO O=[N+]([O-])c1cnc(N2CC[NH+]3CCC2CC3)nc1 ZINC000113376985 345691731 /nfs/dbraw/zinc/69/17/31/345691731.db2.gz IQHAECUFXHJKRU-UHFFFAOYSA-N 1 0 249.274 0.669 20 5 BCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](C)[NH3+] ZINC000381763331 346025121 /nfs/dbraw/zinc/02/51/21/346025121.db2.gz OXOMDCCJUTZEOU-NTSWFWBYSA-N 1 0 226.236 0.388 20 5 BCBDRO C[C@@H]([NH2+]CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000020083409 259387788 /nfs/dbraw/zinc/38/77/88/259387788.db2.gz VYJYHGUATZBWNY-SSDOTTSWSA-N 1 0 223.232 0.731 20 5 BCBDRO Cc1cccc(C(=O)NCCC[NH3+])c1[N+](=O)[O-] ZINC000019505866 179016269 /nfs/dbraw/zinc/01/62/69/179016269.db2.gz VFCXAWORWHYLIG-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO Cc1cc(=O)n(CC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000592161144 347745810 /nfs/dbraw/zinc/74/58/10/347745810.db2.gz OFJXAYKNLFVUKW-UHFFFAOYSA-N 1 0 223.232 0.284 20 5 BCBDRO Cc1cc([N+](=O)[O-])cn(CC2C[NH2+]C2)c1=O ZINC000592160519 347746053 /nfs/dbraw/zinc/74/60/53/347746053.db2.gz KZMOCFYTKBDUSD-UHFFFAOYSA-N 1 0 223.232 0.284 20 5 BCBDRO Cc1cc([N+](=O)[O-])cn(C[C@@H]2CC[NH2+]C2)c1=O ZINC000592159106 347746090 /nfs/dbraw/zinc/74/60/90/347746090.db2.gz BSWGJXHCPYIXML-SECBINFHSA-N 1 0 237.259 0.674 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592543135 347799409 /nfs/dbraw/zinc/79/94/09/347799409.db2.gz QXSDAPQCLJMVMY-ZCFIWIBFSA-N 1 0 238.247 0.254 20 5 BCBDRO CC(C)[C@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000362190503 187383090 /nfs/dbraw/zinc/38/30/90/187383090.db2.gz MWQMJZSEOGOYOF-VIFPVBQESA-N 1 0 242.279 0.398 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000595982626 348417282 /nfs/dbraw/zinc/41/72/82/348417282.db2.gz KGTDUYNIJGXHNN-LURJTMIESA-N 1 0 226.236 0.261 20 5 BCBDRO C[NH2+]C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000595982649 348417704 /nfs/dbraw/zinc/41/77/04/348417704.db2.gz KXEAASMZXDFSPX-QMMMGPOBSA-N 1 0 237.259 0.933 20 5 BCBDRO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[NH2+]1 ZINC000596016977 348431337 /nfs/dbraw/zinc/43/13/37/348431337.db2.gz XLXCJHIWRUCEIL-ZETCQYMHSA-N 1 0 237.263 0.370 20 5 BCBDRO Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1[N+](=O)[O-] ZINC000596016970 348431416 /nfs/dbraw/zinc/43/14/16/348431416.db2.gz XESCYKXRTMEBOP-SSDOTTSWSA-N 1 0 237.263 0.500 20 5 BCBDRO O=C1NCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000596057429 348434585 /nfs/dbraw/zinc/43/45/85/348434585.db2.gz QIECCQPBTDBZPI-JTQLQIEISA-N 1 0 235.243 0.573 20 5 BCBDRO Cc1nn(C)c(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000038089140 180358765 /nfs/dbraw/zinc/35/87/65/180358765.db2.gz BRNZCKRVVYYRFX-SSDOTTSWSA-N 1 0 241.295 0.999 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH3+] ZINC000122287532 362962560 /nfs/dbraw/zinc/96/25/60/362962560.db2.gz RQZHFOLHRCTPRS-UHFFFAOYSA-N 1 0 240.263 0.400 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+]C1 ZINC000052093082 350914594 /nfs/dbraw/zinc/91/45/94/350914594.db2.gz XOYACYJJWKDGRU-VIFPVBQESA-N 1 0 249.270 0.995 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000052092912 350914664 /nfs/dbraw/zinc/91/46/64/350914664.db2.gz ITRZERRLQVNQFZ-ZETCQYMHSA-N 1 0 238.247 0.025 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000159759490 350995788 /nfs/dbraw/zinc/99/57/88/350995788.db2.gz BPFCPBOFRGPXNK-LURJTMIESA-N 1 0 241.222 0.811 20 5 BCBDRO Cc1ccc(C[NH2+]CCO)cc1[N+](=O)[O-] ZINC000034994559 351375773 /nfs/dbraw/zinc/37/57/73/351375773.db2.gz WVLHNWOYQKKHNB-UHFFFAOYSA-N 1 0 210.233 0.985 20 5 BCBDRO C[NH2+]Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000090295485 363032870 /nfs/dbraw/zinc/03/28/70/363032870.db2.gz AEZDGFWDXQYYHQ-UHFFFAOYSA-N 1 0 247.258 0.954 20 5 BCBDRO C[NH2+]CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943220 353137096 /nfs/dbraw/zinc/13/70/96/353137096.db2.gz JDVLXPKPRWUKDQ-UHFFFAOYSA-N 1 0 223.232 0.430 20 5 BCBDRO C[C@H]([NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943248 353137131 /nfs/dbraw/zinc/13/71/31/353137131.db2.gz WDWOJEFHAGRZFF-QMMMGPOBSA-N 1 0 237.259 0.948 20 5 BCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000252407165 363237212 /nfs/dbraw/zinc/23/72/12/363237212.db2.gz HEKCPXPKJLIQNL-JZYVYDRUSA-N 1 0 247.254 0.542 20 5 BCBDRO [NH3+]CCOCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000093230576 355217481 /nfs/dbraw/zinc/21/74/81/355217481.db2.gz AXUQXNUYNWPSOL-UHFFFAOYSA-N 1 0 239.231 0.509 20 5 BCBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000035142587 355852038 /nfs/dbraw/zinc/85/20/38/355852038.db2.gz YEZMYSCYBVXSPZ-UHFFFAOYSA-N 1 0 249.270 0.963 20 5 BCBDRO Cc1nc(N2CC[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC000420218431 192194017 /nfs/dbraw/zinc/19/40/17/192194017.db2.gz MXTIOTGISQELMJ-SSDOTTSWSA-N 1 0 237.263 0.491 20 5 BCBDRO CC[N@H+](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000049320550 356415452 /nfs/dbraw/zinc/41/54/52/356415452.db2.gz NGEOIKSSMNCGBK-UHFFFAOYSA-N 1 0 227.268 0.692 20 5 BCBDRO C[NH2+]CCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000420393594 192237381 /nfs/dbraw/zinc/23/73/81/192237381.db2.gz XXCBPHZUZIDPGC-UHFFFAOYSA-N 1 0 241.295 0.333 20 5 BCBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000054613869 363519519 /nfs/dbraw/zinc/51/95/19/363519519.db2.gz FBAUDFIPVKDDDM-UHFFFAOYSA-N 1 0 210.237 0.963 20 5 BCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1 ZINC000053712442 357157446 /nfs/dbraw/zinc/15/74/46/357157446.db2.gz ZBUODDVTVSMLRQ-OCAPTIKFSA-N 1 0 237.263 0.571 20 5 BCBDRO CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC000580445739 359561955 /nfs/dbraw/zinc/56/19/55/359561955.db2.gz AWBNAURFTWWTRK-VIFPVBQESA-N 1 0 239.279 0.085 20 5 BCBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000083065670 359783494 /nfs/dbraw/zinc/78/34/94/359783494.db2.gz JONRBVHOVDUTNI-UHFFFAOYSA-N 1 0 240.263 0.557 20 5 BCBDRO C[NH2+][C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430635858 192884332 /nfs/dbraw/zinc/88/43/32/192884332.db2.gz WUIGQZGKTWJTIM-MRVPVSSYSA-N 1 0 239.279 0.122 20 5 BCBDRO C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000130633841 363854664 /nfs/dbraw/zinc/85/46/64/363854664.db2.gz BHNLRGCEILHGEL-SSDOTTSWSA-N 1 0 225.252 0.747 20 5 BCBDRO [NH3+]CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237843982 181366580 /nfs/dbraw/zinc/36/65/80/181366580.db2.gz NPFHRDUXOQCQFE-UHFFFAOYSA-N 1 0 235.243 0.833 20 5 BCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH3+] ZINC000285627734 181382596 /nfs/dbraw/zinc/38/25/96/181382596.db2.gz DWZZRSQKLBQSMB-UHFFFAOYSA-N 1 0 238.247 0.256 20 5 BCBDRO [NH3+]CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000158339256 181394723 /nfs/dbraw/zinc/39/47/23/181394723.db2.gz OFFHQHQOGVOOCK-UHFFFAOYSA-N 1 0 223.232 0.212 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)CO ZINC000123152338 369404851 /nfs/dbraw/zinc/40/48/51/369404851.db2.gz DGDMOIZSAPKKOH-MRVPVSSYSA-N 1 0 242.279 0.412 20 5 BCBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000070446937 371030147 /nfs/dbraw/zinc/03/01/47/371030147.db2.gz MVHSRFCUESUKEP-SSDOTTSWSA-N 1 0 240.263 0.636 20 5 BCBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000226782088 371744722 /nfs/dbraw/zinc/74/47/22/371744722.db2.gz MABXCKMKQNFIOA-RNFRBKRXSA-N 1 0 240.288 0.707 20 5 BCBDRO C[C@H]1C[C@H]([NH3+])CN1CCn1ccc([N+](=O)[O-])n1 ZINC000601329636 371748452 /nfs/dbraw/zinc/74/84/52/371748452.db2.gz LMDUOXDLFYHJDO-IUCAKERBSA-N 1 0 239.279 0.213 20 5 BCBDRO CC(C)[C@@H](CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807941 371842645 /nfs/dbraw/zinc/84/26/45/371842645.db2.gz VMOVSHNQNMHXCE-SECBINFHSA-N 1 0 242.279 0.435 20 5 BCBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429998 371895269 /nfs/dbraw/zinc/89/52/69/371895269.db2.gz QFYCLHSRQOJZMX-VXNVDRBHSA-N 1 0 239.279 0.250 20 5 BCBDRO C[NH2+][C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603428639 371895597 /nfs/dbraw/zinc/89/55/97/371895597.db2.gz KTGFLWAGQQBQMM-VIFPVBQESA-N 1 0 239.279 0.122 20 5 BCBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000132802999 371925799 /nfs/dbraw/zinc/92/57/99/371925799.db2.gz VZWQLFMPEYPARK-UHFFFAOYSA-N 1 0 226.236 0.344 20 5 BCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000048194338 182258019 /nfs/dbraw/zinc/25/80/19/182258019.db2.gz YEOCKTLMKYEGEZ-SNVBAGLBSA-N 1 0 249.270 0.963 20 5 BCBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000071397096 182295095 /nfs/dbraw/zinc/29/50/95/182295095.db2.gz SOLIWMVDUHAEDZ-SSDOTTSWSA-N 1 0 238.247 0.405 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111303033 383856237 /nfs/dbraw/zinc/85/62/37/383856237.db2.gz AHLSFUNHXKWCKR-ZCFIWIBFSA-N 1 0 241.222 0.811 20 5 BCBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287258332 383875369 /nfs/dbraw/zinc/87/53/69/383875369.db2.gz RMICEPRSHIUHSG-ZETCQYMHSA-N 1 0 240.263 0.603 20 5 BCBDRO C[C@]1(O)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177977041 383993860 /nfs/dbraw/zinc/99/38/60/383993860.db2.gz XPDMTQVADNQOHF-JTQLQIEISA-N 1 0 240.263 0.248 20 5 BCBDRO COC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000234792150 384017776 /nfs/dbraw/zinc/01/77/76/384017776.db2.gz FLJQDSJZTPXYLS-JTQLQIEISA-N 1 0 240.259 0.692 20 5 BCBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000340224699 384136129 /nfs/dbraw/zinc/13/61/29/384136129.db2.gz BAEQYIMORRTGDM-NSHDSACASA-N 1 0 249.270 0.915 20 5 BCBDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000564988940 384598700 /nfs/dbraw/zinc/59/87/00/384598700.db2.gz APJSUJYNCGFTHC-AOOOYVTPSA-N 1 0 249.270 0.948 20 5 BCBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000147918461 384863616 /nfs/dbraw/zinc/86/36/16/384863616.db2.gz IGQKXYQCGJGWLN-ZETCQYMHSA-N 1 0 238.247 0.357 20 5 BCBDRO Nc1c([N+](=O)[O-])cnn1CC[C@@H]1CC[NH2+]C1 ZINC000572834769 384945031 /nfs/dbraw/zinc/94/50/31/384945031.db2.gz ZVQASXAHHQJYEG-ZETCQYMHSA-N 1 0 225.252 0.373 20 5 BCBDRO C[C@@H](C[NH+](C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000130596334 385265371 /nfs/dbraw/zinc/26/53/71/385265371.db2.gz RJYPRBVMFWBIRV-ZETCQYMHSA-N 1 0 227.268 0.690 20 5 BCBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000129228904 385740724 /nfs/dbraw/zinc/74/07/24/385740724.db2.gz GRCRLYZLNOSEGT-SSDOTTSWSA-N 1 0 239.231 0.655 20 5 BCBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000397845456 385723979 /nfs/dbraw/zinc/72/39/79/385723979.db2.gz IAKKXLKNKHYJEF-UHFFFAOYSA-N 1 0 237.263 0.891 20 5 BCBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261596420 385822806 /nfs/dbraw/zinc/82/28/06/385822806.db2.gz YVJCBYBQEZQIDG-ZCFIWIBFSA-N 1 0 243.288 0.994 20 5 BCBDRO C[C@@H]([NH2+]CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293905809 386112407 /nfs/dbraw/zinc/11/24/07/386112407.db2.gz WRMWHYGSDABVER-SSDOTTSWSA-N 1 0 225.248 0.820 20 5 BCBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000237374557 386505518 /nfs/dbraw/zinc/50/55/18/386505518.db2.gz PWAPEIGJIPWLKH-LURJTMIESA-N 1 0 227.220 0.512 20 5 BCBDRO CC[N@H+](CCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000267377116 386762782 /nfs/dbraw/zinc/76/27/82/386762782.db2.gz TYCLSYUUSHZYRW-UHFFFAOYSA-N 1 0 242.279 0.496 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)CC2)c1 ZINC000304323714 386975535 /nfs/dbraw/zinc/97/55/35/386975535.db2.gz PYAXLLJIRZCHBR-UHFFFAOYSA-N 1 0 240.263 0.248 20 5 BCBDRO O=[N+]([O-])c1ncn(CC[NH+]2CCCCC2)n1 ZINC000359012344 387045103 /nfs/dbraw/zinc/04/51/03/387045103.db2.gz MAOMBORSXIYQTG-UHFFFAOYSA-N 1 0 225.252 0.672 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000001626203 387131574 /nfs/dbraw/zinc/13/15/74/387131574.db2.gz AWEJRZRNZDXEOX-UHFFFAOYSA-N 1 0 240.263 0.225 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NCC[NH+](C)C ZINC000006423747 387445103 /nfs/dbraw/zinc/44/51/03/387445103.db2.gz VEEYMSUESJGSSW-UHFFFAOYSA-N 1 0 213.241 0.302 20 5 BCBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000271778916 388403473 /nfs/dbraw/zinc/40/34/73/388403473.db2.gz RVJXULGFQQJQLK-UHFFFAOYSA-N 1 0 238.247 0.309 20 5 BCBDRO C[NH+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000012021565 388713547 /nfs/dbraw/zinc/71/35/47/388713547.db2.gz RWWSBJHOLZAIGO-UHFFFAOYSA-N 1 0 237.259 0.886 20 5 BCBDRO [NH3+]C[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000430568405 388728221 /nfs/dbraw/zinc/72/82/21/388728221.db2.gz KKPBCEVHMGVPNG-VIFPVBQESA-N 1 0 239.279 0.214 20 5 BCBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[NH2+]1 ZINC000430928292 388729810 /nfs/dbraw/zinc/72/98/10/388729810.db2.gz SRVQVQYVQOJPAT-MRVPVSSYSA-N 1 0 239.279 0.122 20 5 BCBDRO C[C@H](Cn1cc([N+](=O)[O-])ccc1=O)[NH+](C)C ZINC000330893535 388761794 /nfs/dbraw/zinc/76/17/94/388761794.db2.gz YVQZLMOGCJHODK-MRVPVSSYSA-N 1 0 225.248 0.707 20 5 BCBDRO Cc1cc(C(=O)NCC[NH3+])cc([N+](=O)[O-])c1 ZINC000125295515 388781592 /nfs/dbraw/zinc/78/15/92/388781592.db2.gz UDLZPCFMEDGICF-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO C[NH+](C)C1CN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283746576 388824443 /nfs/dbraw/zinc/82/44/43/388824443.db2.gz KDUXCKZNRKXFEM-UHFFFAOYSA-N 1 0 236.275 0.927 20 5 BCBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cn1 ZINC000261579935 135220771 /nfs/dbraw/zinc/22/07/71/135220771.db2.gz MPLOLXRVTGTYCF-CBAPKCEASA-N 1 0 222.248 0.916 20 5 BCBDRO Cc1ccnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000078834180 135244484 /nfs/dbraw/zinc/24/44/84/135244484.db2.gz AYMOEJAHPVGZNT-AOOOYVTPSA-N 1 0 248.286 0.954 20 5 BCBDRO C[C@H]1C[NH2+]CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000261723925 135248549 /nfs/dbraw/zinc/24/85/49/135248549.db2.gz GHKFFYWDQRICLL-QMMMGPOBSA-N 1 0 239.279 0.122 20 5 BCBDRO C[C@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000261891609 135260756 /nfs/dbraw/zinc/26/07/56/135260756.db2.gz UBCUFHXDMLKZNQ-VIFPVBQESA-N 1 0 239.279 0.085 20 5 BCBDRO [NH3+]CCN(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000342423459 135267855 /nfs/dbraw/zinc/26/78/55/135267855.db2.gz QFOCDXCAUDQNAX-UHFFFAOYSA-N 1 0 239.275 0.348 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1C[NH2+]C1 ZINC000262030612 135274126 /nfs/dbraw/zinc/27/41/26/135274126.db2.gz OSRMVPFDXISVAE-UHFFFAOYSA-N 1 0 249.270 0.852 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH3+])c1 ZINC000088147716 135515713 /nfs/dbraw/zinc/51/57/13/135515713.db2.gz RISCKUVTKDCREK-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH3+] ZINC000347657485 136002316 /nfs/dbraw/zinc/00/23/16/136002316.db2.gz SATQAWKDDUAMPC-ZCFIWIBFSA-N 1 0 238.247 0.375 20 5 BCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]1 ZINC000347870255 136016579 /nfs/dbraw/zinc/01/65/79/136016579.db2.gz JLDQJXBWASTWSA-JTQLQIEISA-N 1 0 249.270 0.615 20 5 BCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]1 ZINC000347870256 136016621 /nfs/dbraw/zinc/01/66/21/136016621.db2.gz JLDQJXBWASTWSA-SNVBAGLBSA-N 1 0 249.270 0.615 20 5 BCBDRO O=C1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1 ZINC000110911240 397904746 /nfs/dbraw/zinc/90/47/46/397904746.db2.gz CTUAPMYQNVYYMG-JTQLQIEISA-N 1 0 249.270 0.963 20 5 BCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602604345 398077178 /nfs/dbraw/zinc/07/71/78/398077178.db2.gz QDGOLXKDIMQJCZ-BQBZGAKWSA-N 1 0 236.231 0.109 20 5 BCBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034581855 170115643 /nfs/dbraw/zinc/11/56/43/170115643.db2.gz RLAWNAMGBQKTAP-UHFFFAOYSA-N 1 0 237.259 0.934 20 5 BCBDRO CC[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000358927160 170139936 /nfs/dbraw/zinc/13/99/36/170139936.db2.gz GFALHFPNBRHURN-ZETCQYMHSA-N 1 0 240.263 0.651 20 5 BCBDRO Cc1nc(NC[C@@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC000420216115 411775074 /nfs/dbraw/zinc/77/50/74/411775074.db2.gz LTUCMISCTCUAKM-LURJTMIESA-N 1 0 225.252 0.700 20 5 BCBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000596434491 411817897 /nfs/dbraw/zinc/81/78/97/411817897.db2.gz XAGMCCKCXMDAPP-QMMMGPOBSA-N 1 0 239.279 1.137 20 5 BCBDRO C[C@@H](Nc1ccc(N)c([N+](=O)[O-])n1)[C@H](C)[NH3+] ZINC000596012822 411830114 /nfs/dbraw/zinc/83/01/14/411830114.db2.gz AXSZCYLYHHQSTK-NTSWFWBYSA-N 1 0 225.252 0.720 20 5 BCBDRO CCC[NH2+]CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420213271 412356905 /nfs/dbraw/zinc/35/69/05/412356905.db2.gz HOBDBECYECLTNH-UHFFFAOYSA-N 1 0 239.279 1.105 20 5 BCBDRO C[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420245806 412297900 /nfs/dbraw/zinc/29/79/00/412297900.db2.gz RIMZWNOKECFIJF-ZCFIWIBFSA-N 1 0 225.252 0.713 20 5 BCBDRO C[N@H+](C[C@H](O)Cn1cnc([N+](=O)[O-])c1)C1CC1 ZINC000290505692 172825582 /nfs/dbraw/zinc/82/55/82/172825582.db2.gz BAPSHKNLIVCPDD-VIFPVBQESA-N 1 0 240.263 0.246 20 5 BCBDRO CN1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000263751743 173194782 /nfs/dbraw/zinc/19/47/82/173194782.db2.gz OYKLWPHGWDETHT-SNVBAGLBSA-N 1 0 249.270 0.915 20 5 BCBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000070303545 173351897 /nfs/dbraw/zinc/35/18/97/173351897.db2.gz LYGCBAJYSGBQND-UHFFFAOYSA-N 1 0 240.263 0.225 20 5 BCBDRO C[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000054244153 173355848 /nfs/dbraw/zinc/35/58/48/173355848.db2.gz FFXASNGEGAJLNJ-UHFFFAOYSA-N 1 0 237.259 0.852 20 5 BCBDRO C[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000237098019 173356031 /nfs/dbraw/zinc/35/60/31/173356031.db2.gz CXVBAHYWRKJSNZ-UHFFFAOYSA-N 1 0 238.247 0.126 20 5 BCBDRO COc1ccc(CNC(=O)C[NH3+])cc1[N+](=O)[O-] ZINC000083366740 175103786 /nfs/dbraw/zinc/10/37/86/175103786.db2.gz PQZJWQUCEKIROH-UHFFFAOYSA-N 1 0 239.231 0.178 20 5 BCBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[NH3+] ZINC000054418155 175201201 /nfs/dbraw/zinc/20/12/01/175201201.db2.gz OQQZZROCELMHLT-UHFFFAOYSA-N 1 0 239.275 0.994 20 5 BCBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000088059158 176261359 /nfs/dbraw/zinc/26/13/59/176261359.db2.gz XAAHHTGAHHFGAH-SSDOTTSWSA-N 1 0 239.231 0.622 20 5 BCBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000052092961 177569291 /nfs/dbraw/zinc/56/92/91/177569291.db2.gz XKRPBALWNXYEEQ-SECBINFHSA-N 1 0 249.270 0.995 20 5 BCBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]CC[N+](=O)[O-] ZINC000905362899 637787489 /nfs/dbraw/zinc/78/74/89/637787489.db2.gz BJYUEJLVLPRLQV-BDAKNGLRSA-N 1 0 204.270 0.650 20 5 BCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000394472678 323037180 /nfs/dbraw/zinc/03/71/80/323037180.db2.gz NLIRDSRTWFGMLS-RNFRBKRXSA-N 1 0 240.263 0.399 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C ZINC000049099937 323157570 /nfs/dbraw/zinc/15/75/70/323157570.db2.gz ZSUCDTPASFEBHX-MRVPVSSYSA-N 1 0 239.279 0.834 20 5 BCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000567473163 326199719 /nfs/dbraw/zinc/19/97/19/326199719.db2.gz BBZDDZIUZKYCHC-NTSWFWBYSA-N 1 0 241.251 0.174 20 5 BCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000567925667 326284276 /nfs/dbraw/zinc/28/42/76/326284276.db2.gz QUCJKTQHCVBJRE-RITPCOANSA-N 1 0 241.251 0.174 20 5 BCBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854653092 588799415 /nfs/dbraw/zinc/79/94/15/588799415.db2.gz WMURLKNWHJGBTN-QCLAVDOMSA-N 1 0 241.291 0.203 20 5 BCBDRO CC(C)[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])[NH+](C)C ZINC000813102236 582580122 /nfs/dbraw/zinc/58/01/22/582580122.db2.gz CGFNAUUPVMHAHT-RKDXNWHRSA-N 1 0 232.280 0.781 20 5 BCBDRO CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH2+]1 ZINC000856491192 588874004 /nfs/dbraw/zinc/87/40/04/588874004.db2.gz ZGUJUOQGTXVHRC-OPRDCNLKSA-N 1 0 241.291 0.108 20 5 BCBDRO C[NH2+][C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827889 585180776 /nfs/dbraw/zinc/18/07/76/585180776.db2.gz TWFBHJURINHWEN-JTQLQIEISA-N 1 0 236.275 0.784 20 5 BCBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839578500 585331133 /nfs/dbraw/zinc/33/11/33/585331133.db2.gz ZZZPASIPVCHPBB-SZEHBUNVSA-N 1 0 239.275 0.005 20 5 BCBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839632745 585332935 /nfs/dbraw/zinc/33/29/35/585332935.db2.gz LBSAINRCRCXEFD-IVZWLZJFSA-N 1 0 241.291 0.204 20 5 BCBDRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839734374 585337399 /nfs/dbraw/zinc/33/73/99/585337399.db2.gz UODIGXUYUJPATC-NXEZZACHSA-N 1 0 243.307 0.452 20 5 BCBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC000839734827 585337471 /nfs/dbraw/zinc/33/74/71/585337471.db2.gz UGTMUYHLMMINRC-RKDXNWHRSA-N 1 0 241.291 0.252 20 5 BCBDRO O=[N+]([O-])c1ccnn1CC[NH+]1CCCC1 ZINC000789914528 585953169 /nfs/dbraw/zinc/95/31/69/585953169.db2.gz PHDHOLAAARDFKJ-UHFFFAOYSA-N 1 0 210.237 0.887 20 5 BCBDRO CCC[N@H+](C)C[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791052412 585972473 /nfs/dbraw/zinc/97/24/73/585972473.db2.gz NFVDJVHOHORPBG-LLVKDONJSA-N 1 0 229.324 0.927 20 5 BCBDRO C[C@@H](O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051569 585972782 /nfs/dbraw/zinc/97/27/82/585972782.db2.gz FKRFRZISAIBMAK-MRVPVSSYSA-N 1 0 202.254 0.356 20 5 BCBDRO O=C1CN(CC[N+](=O)[O-])[C@H]2CCCC[C@H]2N1 ZINC000791052387 585972898 /nfs/dbraw/zinc/97/28/98/585972898.db2.gz MTTLDAYHRRLWSE-BDAKNGLRSA-N 1 0 227.264 0.006 20 5 BCBDRO CO[C@H](C)CN(C)Cn1nccc1[N+](=O)[O-] ZINC000795747322 586091829 /nfs/dbraw/zinc/09/18/29/586091829.db2.gz JTVQLZCDVNHPMF-MRVPVSSYSA-N 1 0 228.252 0.716 20 5 BCBDRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840374624 586933684 /nfs/dbraw/zinc/93/36/84/586933684.db2.gz FBJSKKGVTKFNGT-OPRDCNLKSA-N 1 0 241.291 0.110 20 5 BCBDRO C[NH2+]CCc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823233858 587210306 /nfs/dbraw/zinc/21/03/06/587210306.db2.gz DEGQUXANPQWKHU-UHFFFAOYSA-N 1 0 242.279 0.819 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834682770 587763963 /nfs/dbraw/zinc/76/39/63/587763963.db2.gz WFZXSUWHBSLEEW-ZCFIWIBFSA-N 1 0 238.247 0.254 20 5 BCBDRO [NH3+]CCc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000843129776 588085671 /nfs/dbraw/zinc/08/56/71/588085671.db2.gz WDCNTCCWSQYZTF-UHFFFAOYSA-N 1 0 223.192 0.474 20 5 BCBDRO CC(C)(CCc1noc(CCC[NH3+])n1)[N+](=O)[O-] ZINC000843234447 588094542 /nfs/dbraw/zinc/09/45/42/588094542.db2.gz UDWCOYQTXQSOSR-UHFFFAOYSA-N 1 0 242.279 0.949 20 5 BCBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[NH3+])CC2 ZINC000843495506 588115598 /nfs/dbraw/zinc/11/55/98/588115598.db2.gz TYRGEYNCOGNORX-UHFFFAOYSA-N 1 0 235.243 0.751 20 5 BCBDRO CC[C@H](C[NH+](C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870546777 589673095 /nfs/dbraw/zinc/67/30/95/589673095.db2.gz DWBJWNDLZJDPFQ-IWSPIJDZSA-N 1 0 230.264 0.535 20 5 BCBDRO Cc1ccc(CNC(=O)C[NH3+])cc1[N+](=O)[O-] ZINC000877241251 590302117 /nfs/dbraw/zinc/30/21/17/590302117.db2.gz OLARFHKAJAEFKV-UHFFFAOYSA-N 1 0 223.232 0.478 20 5 BCBDRO C[NH+](C)C1CN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882140152 591305803 /nfs/dbraw/zinc/30/58/03/591305803.db2.gz KWFBPQZMKOXEJR-UHFFFAOYSA-N 1 0 240.238 0.879 20 5 BCBDRO C[N@H+](CCO)CCNc1sccc1[N+](=O)[O-] ZINC000884825487 592023347 /nfs/dbraw/zinc/02/33/47/592023347.db2.gz ZLNFNAVSPSUFBI-UHFFFAOYSA-N 1 0 245.304 0.992 20 5 BCBDRO O=[N+]([O-])c1ncccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885960538 592115612 /nfs/dbraw/zinc/11/56/12/592115612.db2.gz MNDFGYPOWHUODI-PHIMTYICSA-N 1 0 248.286 0.641 20 5 BCBDRO [NH3+][C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827939 592351726 /nfs/dbraw/zinc/35/17/26/592351726.db2.gz URUSHUAXLUOPLV-VIFPVBQESA-N 1 0 222.248 0.523 20 5 BCBDRO C[C@@H](C[NH3+])N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886830549 592353457 /nfs/dbraw/zinc/35/34/57/592353457.db2.gz SYXULCZLJZMFNF-QMMMGPOBSA-N 1 0 224.264 0.769 20 5 BCBDRO COC(=O)CC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931620312 635127250 /nfs/dbraw/zinc/12/72/50/635127250.db2.gz QEMJEHBVJSOBQO-SNVBAGLBSA-N 1 0 244.291 0.928 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]1CO ZINC000934015585 631611521 /nfs/dbraw/zinc/61/15/21/631611521.db2.gz PEHWOCUELOBHFL-SECBINFHSA-N 1 0 240.263 0.166 20 5 BCBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC[N+](=O)[O-] ZINC000930574805 633903839 /nfs/dbraw/zinc/90/38/39/633903839.db2.gz NDEAXONCLUKTNQ-SNVBAGLBSA-N 1 0 215.297 0.535 20 5 BCBDRO C[C@H]1COC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000925563163 634048651 /nfs/dbraw/zinc/04/86/51/634048651.db2.gz ASFSVGHWVDFBSY-WPRPVWTQSA-N 1 0 240.263 0.416 20 5 BCBDRO O=c1ccc([N+](=O)[O-])cn1CCC[NH2+]C1CC1 ZINC000042410097 637231029 /nfs/dbraw/zinc/23/10/29/637231029.db2.gz YWTJVSGRNLFHGA-UHFFFAOYSA-N 1 0 237.259 0.899 20 5 BCBDRO C[C@H](C[NH+]1CCCCC1)NCC[N+](=O)[O-] ZINC000905033996 637553535 /nfs/dbraw/zinc/55/35/35/637553535.db2.gz HEACYJCBRXVAMO-SNVBAGLBSA-N 1 0 215.297 0.727 20 5 BCBDRO C[C@@H](CNCC[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000905049750 637566478 /nfs/dbraw/zinc/56/64/78/637566478.db2.gz PXIDYPXRBJSSKC-QWRGUYRKSA-N 1 0 229.324 0.973 20 5 BCBDRO O=[N+]([O-])CCN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000905047739 637567527 /nfs/dbraw/zinc/56/75/27/637567527.db2.gz VWYOQLOMVGJETN-VHSXEESVSA-N 1 0 213.281 0.480 20 5 BCBDRO CC[C@@H](C)NC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905052681 637568638 /nfs/dbraw/zinc/56/86/38/637568638.db2.gz SYGWEZQQATWCHW-MRVPVSSYSA-N 1 0 217.269 0.158 20 5 BCBDRO O=[N+]([O-])CCNC1CC[NH+](CC2CC2)CC1 ZINC000905053678 637568748 /nfs/dbraw/zinc/56/87/48/637568748.db2.gz CQOAQBZPWVLLOS-UHFFFAOYSA-N 1 0 227.308 0.727 20 5 BCBDRO CC(C)OC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905027862 637575168 /nfs/dbraw/zinc/57/51/68/637575168.db2.gz SPTTYKGGWCNYAU-UHFFFAOYSA-N 1 0 204.226 0.194 20 5 BCBDRO O=C(CC[NH2+]CC[N+](=O)[O-])NC1CCCCC1 ZINC000905058564 637592535 /nfs/dbraw/zinc/59/25/35/637592535.db2.gz HEASSBSZHUQDHS-UHFFFAOYSA-N 1 0 243.307 0.692 20 5 BCBDRO CCOC(=O)C1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905058674 637592945 /nfs/dbraw/zinc/59/29/45/637592945.db2.gz IODQOWMIIOTOST-UHFFFAOYSA-N 1 0 244.291 0.975 20 5 BCBDRO O=[N+]([O-])CCNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000905058947 637594523 /nfs/dbraw/zinc/59/45/23/637594523.db2.gz LARIYCDKLMWFLU-SECBINFHSA-N 1 0 213.281 0.337 20 5 BCBDRO CC(C)C[C@@H](CN(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905060101 637596987 /nfs/dbraw/zinc/59/69/87/637596987.db2.gz KEBXQXSNDYGQSE-JTQLQIEISA-N 1 0 217.313 0.829 20 5 BCBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCC[N+](=O)[O-] ZINC000905068361 637601757 /nfs/dbraw/zinc/60/17/57/637601757.db2.gz OICRNGPPZYBPHD-WDEREUQCSA-N 1 0 229.324 0.973 20 5 BCBDRO CC1(O)CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905157232 637639297 /nfs/dbraw/zinc/63/92/97/637639297.db2.gz YIYMAOBKBGDEOE-UHFFFAOYSA-N 1 0 202.254 0.546 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCNc1ccccn1 ZINC000905127316 637641921 /nfs/dbraw/zinc/64/19/21/637641921.db2.gz KOCBTHQBTYDRDC-UHFFFAOYSA-N 1 0 224.264 0.750 20 5 BCBDRO CC(C)(C)OC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905136504 637646910 /nfs/dbraw/zinc/64/69/10/637646910.db2.gz YVOLYBNYQMJGFR-UHFFFAOYSA-N 1 0 218.253 0.585 20 5 BCBDRO C[C@H](O)CC(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905143414 637651471 /nfs/dbraw/zinc/65/14/71/637651471.db2.gz BPPGEEJAZMFBNG-QMMMGPOBSA-N 1 0 204.270 0.650 20 5 BCBDRO CCOC(=O)C[C@@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905186419 637668029 /nfs/dbraw/zinc/66/80/29/637668029.db2.gz AVXXNXVMKILCQW-MRVPVSSYSA-N 1 0 218.253 0.442 20 5 BCBDRO CCOC(=O)CC[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905192323 637671178 /nfs/dbraw/zinc/67/11/78/637671178.db2.gz ZHMDMLBFWUWDCG-QMMMGPOBSA-N 1 0 218.253 0.585 20 5 BCBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CC[N+](=O)[O-] ZINC000905168557 637679555 /nfs/dbraw/zinc/67/95/55/637679555.db2.gz MFPPCZLDNZDFTG-IUCAKERBSA-N 1 0 202.254 0.668 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000905167837 637680353 /nfs/dbraw/zinc/68/03/53/637680353.db2.gz WDGWKPSJCRVGIK-QMMMGPOBSA-N 1 0 210.237 0.133 20 5 BCBDRO COc1cc(CC[NH2+]CC[N+](=O)[O-])ccc1O ZINC000905175105 637683676 /nfs/dbraw/zinc/68/36/76/637683676.db2.gz MRNLJOBBBPWNIV-UHFFFAOYSA-N 1 0 240.259 0.810 20 5 BCBDRO C[C@@H]1C[N@H+](CCCNCC[N+](=O)[O-])CCCO1 ZINC000905232339 637691895 /nfs/dbraw/zinc/69/18/95/637691895.db2.gz NQKDNPQMWXOQJZ-LLVKDONJSA-N 1 0 245.323 0.354 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOC(F)(F)F ZINC000905232198 637691982 /nfs/dbraw/zinc/69/19/82/637691982.db2.gz RZWBYTCDTCAIOG-UHFFFAOYSA-N 1 0 202.132 0.389 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCCCO1 ZINC000905201430 637693507 /nfs/dbraw/zinc/69/35/07/637693507.db2.gz JGOSVNACZHSJQO-SECBINFHSA-N 1 0 202.254 0.812 20 5 BCBDRO C[NH+](C)CC1(CNCC[N+](=O)[O-])CCCC1 ZINC000905215154 637699949 /nfs/dbraw/zinc/69/99/49/637699949.db2.gz YHPPSGGXKPQOFE-UHFFFAOYSA-N 1 0 229.324 0.975 20 5 BCBDRO C[S@@](=O)C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905245082 637704839 /nfs/dbraw/zinc/70/48/39/637704839.db2.gz UYFSXFVJBOLWKP-CQSZACIVSA-N 1 0 220.294 0.154 20 5 BCBDRO C[C@H]1COCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905255123 637712779 /nfs/dbraw/zinc/71/27/79/637712779.db2.gz FAXFJBRJXBKBTB-IUCAKERBSA-N 1 0 202.254 0.525 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000905256838 637714638 /nfs/dbraw/zinc/71/46/38/637714638.db2.gz RTNBVSPLKDDMEI-UHFFFAOYSA-N 1 0 234.259 0.972 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000905264548 637717129 /nfs/dbraw/zinc/71/71/29/637717129.db2.gz TUVHZBIPAGPAND-SSDOTTSWSA-N 1 0 210.237 0.133 20 5 BCBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905242393 637725739 /nfs/dbraw/zinc/72/57/39/637725739.db2.gz JDNWEMJBUBUXHJ-QMMMGPOBSA-N 1 0 247.295 0.766 20 5 BCBDRO CC[C@H](C)[C@H](C[NH2+]CC[N+](=O)[O-])OC ZINC000905273074 637731567 /nfs/dbraw/zinc/73/15/67/637731567.db2.gz KBWREJOCUACVEN-IUCAKERBSA-N 1 0 204.270 0.914 20 5 BCBDRO CC[C@@H](C)[C@@H](C[NH2+]CC[N+](=O)[O-])OC ZINC000905273075 637732462 /nfs/dbraw/zinc/73/24/62/637732462.db2.gz KBWREJOCUACVEN-RKDXNWHRSA-N 1 0 204.270 0.914 20 5 BCBDRO CO[C@H]([C@@H](C)[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905278032 637735926 /nfs/dbraw/zinc/73/59/26/637735926.db2.gz BEJZPTCAIRDZOP-VXNVDRBHSA-N 1 0 202.254 0.666 20 5 BCBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905283904 637738329 /nfs/dbraw/zinc/73/83/29/637738329.db2.gz JARGMXAOIKCXMK-DTORHVGOSA-N 1 0 202.254 0.809 20 5 BCBDRO C[N@@H+]1CCC[C@@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905286985 637739701 /nfs/dbraw/zinc/73/97/01/637739701.db2.gz UXNSLVNLNKHIHE-JTQLQIEISA-N 1 0 215.297 0.585 20 5 BCBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1(O)CCOCC1 ZINC000905291219 637741601 /nfs/dbraw/zinc/74/16/01/637741601.db2.gz ZDEYSPHRTCLLPQ-UHFFFAOYSA-N 1 0 246.307 0.420 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](CO)Cc1ccccc1 ZINC000905349707 637768736 /nfs/dbraw/zinc/76/87/36/637768736.db2.gz MHJBKTSYQZSFJE-LLVKDONJSA-N 1 0 224.260 0.456 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000905352149 637771020 /nfs/dbraw/zinc/77/10/20/637771020.db2.gz DBQLIFJQVNNHTH-BDAKNGLRSA-N 1 0 202.254 0.404 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)c1ccccc1 ZINC000905351502 637771691 /nfs/dbraw/zinc/77/16/91/637771691.db2.gz TZJLGAKUHXQMLI-LLVKDONJSA-N 1 0 224.260 0.629 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000905352589 637773803 /nfs/dbraw/zinc/77/38/03/637773803.db2.gz ADFPPOOQIPCDQQ-KYZUINATSA-N 1 0 202.254 0.404 20 5 BCBDRO NC(=O)CC1(C[NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000905384316 637784525 /nfs/dbraw/zinc/78/45/25/637784525.db2.gz WZFDXNYINNMVOZ-UHFFFAOYSA-N 1 0 243.307 0.679 20 5 BCBDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]CC[N+](=O)[O-] ZINC000905364408 637787747 /nfs/dbraw/zinc/78/77/47/637787747.db2.gz JFCVMBOCDAQETL-DTWKUNHWSA-N 1 0 228.248 0.958 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@@H](O)c1ccccc1 ZINC000905363596 637788097 /nfs/dbraw/zinc/78/80/97/637788097.db2.gz ZBZFRXUJLWHECT-LLVKDONJSA-N 1 0 224.260 0.976 20 5 BCBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)C(F)F ZINC000905372307 637792014 /nfs/dbraw/zinc/79/20/14/637792014.db2.gz JLLAKMUKBVCYSL-NTSWFWBYSA-N 1 0 212.196 0.257 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000905375171 637794153 /nfs/dbraw/zinc/79/41/53/637794153.db2.gz XQGXWTMNTWNSJS-NKWVEPMBSA-N 1 0 224.207 0.401 20 5 BCBDRO O=[N+]([O-])CCNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000905397317 637795759 /nfs/dbraw/zinc/79/57/59/637795759.db2.gz VWEUDUPYQIYJOT-LLVKDONJSA-N 1 0 227.308 0.870 20 5 BCBDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]CC[N+](=O)[O-])O2)CO1 ZINC000905480592 637819541 /nfs/dbraw/zinc/81/95/41/637819541.db2.gz AKHORLGBPWPXEL-MXWKQRLJSA-N 1 0 244.291 0.579 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000905455615 637821796 /nfs/dbraw/zinc/82/17/96/637821796.db2.gz ZUSCRQVBLWRBLF-QMMMGPOBSA-N 1 0 200.238 0.564 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000905647865 637881633 /nfs/dbraw/zinc/88/16/33/637881633.db2.gz JEUKBNSRQYXPPE-NXEZZACHSA-N 1 0 214.265 0.810 20 5 BCBDRO [NH3+][C@@H]1CC[C@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000905732028 637901597 /nfs/dbraw/zinc/90/15/97/637901597.db2.gz VJEPYSFWBFNAKK-JGVFFNPUSA-N 1 0 210.237 0.919 20 5 BCBDRO C[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971881 637986933 /nfs/dbraw/zinc/98/69/33/637986933.db2.gz DNEGIIJBUOQSEN-PSASIEDQSA-N 1 0 240.263 0.246 20 5 BCBDRO [NH3+]CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911628790 639688925 /nfs/dbraw/zinc/68/89/25/639688925.db2.gz DXCHOQCLVKIXLB-WDEREUQCSA-N 1 0 249.270 0.773 20 5 BCBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930369701 639736284 /nfs/dbraw/zinc/73/62/84/639736284.db2.gz GTSRJHZINIROCJ-SNVBAGLBSA-N 1 0 243.307 0.644 20 5 BCBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000930376762 639740872 /nfs/dbraw/zinc/74/08/72/639740872.db2.gz OGPDGMMCZRLXIV-SNVBAGLBSA-N 1 0 214.265 0.766 20 5 BCBDRO CC[N@@H+]1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930452499 639756418 /nfs/dbraw/zinc/75/64/18/639756418.db2.gz LXQQUZAYOGYMJP-VIFPVBQESA-N 1 0 201.270 0.289 20 5 BCBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[N+](=O)[O-] ZINC000930459137 639758645 /nfs/dbraw/zinc/75/86/45/639758645.db2.gz ZWTIJGPWPMMSGM-MNOVXSKESA-N 1 0 227.308 0.822 20 5 BCBDRO CCC[C@]1(CO)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930503804 639774925 /nfs/dbraw/zinc/77/49/25/639774925.db2.gz FSNBKVMZEATHRJ-JTQLQIEISA-N 1 0 216.281 0.748 20 5 BCBDRO CNC(=O)OC[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930491019 639781359 /nfs/dbraw/zinc/78/13/59/639781359.db2.gz KRDMJBRXDXLKPM-SECBINFHSA-N 1 0 245.279 0.474 20 5 BCBDRO O=C([C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1)N1CCCC1 ZINC000930490292 639782212 /nfs/dbraw/zinc/78/22/12/639782212.db2.gz QUNZHCIHYFJJHA-SNVBAGLBSA-N 1 0 241.291 0.207 20 5 BCBDRO COCC1([NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000930574917 639813027 /nfs/dbraw/zinc/81/30/27/639813027.db2.gz RKQYNGRTCZBANU-UHFFFAOYSA-N 1 0 218.253 0.048 20 5 BCBDRO CC[N@@H+]1CC[C@H]2OCCN(CC[N+](=O)[O-])[C@H]2C1 ZINC000930578785 639813133 /nfs/dbraw/zinc/81/31/33/639813133.db2.gz YIWLFDGJVOYIGH-WDEREUQCSA-N 1 0 243.307 0.058 20 5 BCBDRO C[N@@H+]1CCC[C@@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC000930576748 639813253 /nfs/dbraw/zinc/81/32/53/639813253.db2.gz MTPYLDDBNQGFEF-LLVKDONJSA-N 1 0 227.308 0.681 20 5 BCBDRO CO[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1C ZINC000930634848 639833284 /nfs/dbraw/zinc/83/32/84/639833284.db2.gz OQEDJDAOWZKAMT-DTWKUNHWSA-N 1 0 202.254 0.620 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1CC[C@@H](CCCO)C1 ZINC000930675911 639858639 /nfs/dbraw/zinc/85/86/39/639858639.db2.gz ROYYJSMNGWQABN-SECBINFHSA-N 1 0 202.254 0.358 20 5 BCBDRO CO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC000930700128 639866852 /nfs/dbraw/zinc/86/68/52/639866852.db2.gz PPGBKICPNLLMGA-DTWKUNHWSA-N 1 0 214.265 0.810 20 5 BCBDRO COC1([C@H](C)[NH2+]CC[N+](=O)[O-])CCC1 ZINC000930723283 639876749 /nfs/dbraw/zinc/87/67/49/639876749.db2.gz XLFIIFVZWSKQKE-QMMMGPOBSA-N 1 0 202.254 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(C2(O)CC2)CC1 ZINC000930844529 639942429 /nfs/dbraw/zinc/94/24/29/639942429.db2.gz CIPJWIWZEUTMEF-UHFFFAOYSA-N 1 0 214.265 0.500 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000931021736 640025414 /nfs/dbraw/zinc/02/54/14/640025414.db2.gz KFXFDCQCQUDQDS-YUMQZZPRSA-N 1 0 200.238 0.156 20 5 BCBDRO O=[N+]([O-])CCN1CCC([NH+]2CCOCC2)CC1 ZINC000931035956 640031148 /nfs/dbraw/zinc/03/11/48/640031148.db2.gz XQXQXTIEYWQVOW-UHFFFAOYSA-N 1 0 243.307 0.060 20 5 BCBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931061903 640050024 /nfs/dbraw/zinc/05/00/24/640050024.db2.gz KFBCMMJILKKXMO-SNVBAGLBSA-N 1 0 241.291 0.207 20 5 BCBDRO C[NH+](C)C1(C)CCN(CC[N+](=O)[O-])CC1 ZINC000931357658 640170035 /nfs/dbraw/zinc/17/00/35/640170035.db2.gz YANGPLULTQAEIL-UHFFFAOYSA-N 1 0 215.297 0.679 20 5 BCBDRO O=C1CC[N@H+](CC[N+](=O)[O-])CCCCCCN1 ZINC000931467887 640227205 /nfs/dbraw/zinc/22/72/05/640227205.db2.gz PCGZOGIWDZBKCR-UHFFFAOYSA-N 1 0 243.307 0.645 20 5 BCBDRO COC(=O)C[C@@](C)([NH2+]CC[N+](=O)[O-])C1CC1 ZINC000931509456 640238008 /nfs/dbraw/zinc/23/80/08/640238008.db2.gz PEAFUNSOIJYSEI-SNVBAGLBSA-N 1 0 230.264 0.585 20 5 BCBDRO CC(C)(O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931610661 640287813 /nfs/dbraw/zinc/28/78/13/640287813.db2.gz DKWAWCGCORZKKK-SECBINFHSA-N 1 0 216.281 0.746 20 5 BCBDRO O=C1CC2(CCC2)[N@H+](CC[N+](=O)[O-])CCN1 ZINC000931622175 640293320 /nfs/dbraw/zinc/29/33/20/640293320.db2.gz XBZSOFJOFZDSIY-UHFFFAOYSA-N 1 0 227.264 0.008 20 5 BCBDRO O=[N+]([O-])CCN1CCc2nc[nH]c2C12CCC2 ZINC000931676965 640309770 /nfs/dbraw/zinc/30/97/70/640309770.db2.gz XPLRLECJQRPHMI-UHFFFAOYSA-N 1 0 236.275 0.924 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000931702691 640320166 /nfs/dbraw/zinc/32/01/66/640320166.db2.gz PSFMCYVGRJABMY-ZJUUUORDSA-N 1 0 214.265 0.954 20 5 BCBDRO CC[C@H](CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000931770915 640362929 /nfs/dbraw/zinc/36/29/29/640362929.db2.gz CYZWZAKIPDHVKX-MRVPVSSYSA-N 1 0 228.252 0.189 20 5 BCBDRO C[C@H]1COC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000932496022 640557727 /nfs/dbraw/zinc/55/77/27/640557727.db2.gz KFHKUFFSYATSJL-DTWKUNHWSA-N 1 0 240.263 0.416 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCOC12CCCC2 ZINC000934381140 641135798 /nfs/dbraw/zinc/13/57/98/641135798.db2.gz MVQFCGONXNAFKM-VIFPVBQESA-N 1 0 214.265 0.954 20 5 BCBDRO C[C@]12CSC[C@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000934770231 641263568 /nfs/dbraw/zinc/26/35/68/641263568.db2.gz XMSDEUXNNKPNAQ-BDAKNGLRSA-N 1 0 216.306 0.948 20 5 BCBDRO CN(C[C@@H]1CCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000151726018 641459100 /nfs/dbraw/zinc/45/91/00/641459100.db2.gz CRJOAWKQTVRKBJ-JTQLQIEISA-N 1 0 240.263 0.860 20 5 BCBDRO CN(C[C@H]1CCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000151726117 641459415 /nfs/dbraw/zinc/45/94/15/641459415.db2.gz CRJOAWKQTVRKBJ-SNVBAGLBSA-N 1 0 240.263 0.860 20 5 BCBDRO C[C@@H](O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930059947 642298923 /nfs/dbraw/zinc/29/89/23/642298923.db2.gz HBISYQUAWNWLBT-RKDXNWHRSA-N 1 0 202.254 0.356 20 5 BCBDRO C[C@@H](O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930059943 642299048 /nfs/dbraw/zinc/29/90/48/642299048.db2.gz HBISYQUAWNWLBT-BDAKNGLRSA-N 1 0 202.254 0.356 20 5 BCBDRO Cc1nccn1CCC[N@@H+](C)CC[N+](=O)[O-] ZINC000930059838 642300275 /nfs/dbraw/zinc/30/02/75/642300275.db2.gz GYISBXSCKMEDCT-UHFFFAOYSA-N 1 0 226.280 0.790 20 5 BCBDRO CN(CC[NH3+])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923381028 644394127 /nfs/dbraw/zinc/39/41/27/644394127.db2.gz ZJVLCWZTSLJFSA-NSHDSACASA-N 1 0 239.275 0.519 20 5 BCBDRO CC[N@H+](CCC(=O)OC)CC[N+](=O)[O-] ZINC000929417683 646115881 /nfs/dbraw/zinc/11/58/81/646115881.db2.gz STJHHQNLTAQWNO-UHFFFAOYSA-N 1 0 204.226 0.148 20 5 BCBDRO O=[N+]([O-])CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000929787491 646315534 /nfs/dbraw/zinc/31/55/34/646315534.db2.gz JEJJVDBTBYCBFV-LLVKDONJSA-N 1 0 244.291 0.533 20 5 BCBDRO CS[C@H]1CN(CC[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000930128686 646452800 /nfs/dbraw/zinc/45/28/00/646452800.db2.gz NIODLWYWQUJBOW-BDAKNGLRSA-N 1 0 233.337 0.241 20 5 BCBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053763 712422161 /nfs/dbraw/zinc/42/21/61/712422161.db2.gz GHENQUCUQWOIKI-IUCAKERBSA-N 1 0 202.254 0.498 20 5 BCBDRO C[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000712594037 712435425 /nfs/dbraw/zinc/43/54/25/712435425.db2.gz KCOWKEKFXUGIND-SSDOTTSWSA-N 1 0 223.236 0.501 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C ZINC000712596622 712436262 /nfs/dbraw/zinc/43/62/62/712436262.db2.gz VIZILNUWROAHKO-ZETCQYMHSA-N 1 0 225.252 0.444 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[NH3+] ZINC000111302974 178271823 /nfs/dbraw/zinc/27/18/23/178271823.db2.gz AAKFJSAWCRKXFD-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH3+] ZINC000044747725 178271846 /nfs/dbraw/zinc/27/18/46/178271846.db2.gz HRGASVFXSVEQHL-UHFFFAOYSA-N 1 0 223.232 0.592 20 5 BCBDRO Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000052092964 178433216 /nfs/dbraw/zinc/43/32/16/178433216.db2.gz JKDCILBYBPCAHV-JTQLQIEISA-N 1 0 249.270 0.995 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000082577278 398341954 /nfs/dbraw/zinc/34/19/54/398341954.db2.gz HDGJZQQJWCTIFS-ZETCQYMHSA-N 1 0 223.232 0.672 20 5 BCBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000602569573 343400281 /nfs/dbraw/zinc/40/02/81/343400281.db2.gz AWVIAUVVQSZPMQ-NKWVEPMBSA-N 1 0 239.231 0.668 20 5 BCBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH2+]C1 ZINC000230733316 346998737 /nfs/dbraw/zinc/99/87/37/346998737.db2.gz JSPADNBCEVWNQR-SNVBAGLBSA-N 1 0 238.247 0.405 20 5 BCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000381370785 344499000 /nfs/dbraw/zinc/49/90/00/344499000.db2.gz MMSGTDUCVIVRRU-RNFRBKRXSA-N 1 0 240.263 0.399 20 5 BCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000050228754 344659185 /nfs/dbraw/zinc/65/91/85/344659185.db2.gz HLEIIURCCKGEJW-ZETCQYMHSA-N 1 0 238.247 0.107 20 5 BCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](C)[NH3+] ZINC000381753081 345345024 /nfs/dbraw/zinc/34/50/24/345345024.db2.gz NSDWJXKJPCVUMW-NTSWFWBYSA-N 1 0 227.220 0.653 20 5 BCBDRO C[C@@H]1C[C@H]([NH3+])CN1CCn1cc([N+](=O)[O-])cn1 ZINC000601329072 345775232 /nfs/dbraw/zinc/77/52/32/345775232.db2.gz DRLAAOQNQGJCCO-BDAKNGLRSA-N 1 0 239.279 0.213 20 5 BCBDRO CN(CC[NH+](C)C)c1ccncc1[N+](=O)[O-] ZINC000080684653 345898889 /nfs/dbraw/zinc/89/88/89/345898889.db2.gz NVGHNAITUUHJSV-UHFFFAOYSA-N 1 0 224.264 0.988 20 5 BCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH3+] ZINC000104226437 179207028 /nfs/dbraw/zinc/20/70/28/179207028.db2.gz LPEWABRCYLSXRY-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591592334 347672613 /nfs/dbraw/zinc/67/26/13/347672613.db2.gz FWHRPRMWMDIIQK-VHSXEESVSA-N 1 0 247.254 0.831 20 5 BCBDRO C[C@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000592333560 347768363 /nfs/dbraw/zinc/76/83/63/347768363.db2.gz KDAFBDLDUNXXOQ-LURJTMIESA-N 1 0 238.247 0.254 20 5 BCBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CO1 ZINC000592365842 347775112 /nfs/dbraw/zinc/77/51/12/347775112.db2.gz JQGQKOGKBZAWHV-RKDXNWHRSA-N 1 0 240.263 0.558 20 5 BCBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CC1C[NH2+]C1 ZINC000592161618 347745804 /nfs/dbraw/zinc/74/58/04/347745804.db2.gz RFAOPZLDPAFESX-UHFFFAOYSA-N 1 0 243.650 0.629 20 5 BCBDRO C[C@H]([NH3+])Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000592160011 347746108 /nfs/dbraw/zinc/74/61/08/347746108.db2.gz IMCUKKDUDSWPGL-YFKPBYRVSA-N 1 0 231.639 0.757 20 5 BCBDRO Cc1c([N+](=O)[O-])ccc(=O)n1CC1C[NH2+]C1 ZINC000592169068 347746927 /nfs/dbraw/zinc/74/69/27/347746927.db2.gz VKIDANNUKMLUFY-UHFFFAOYSA-N 1 0 223.232 0.284 20 5 BCBDRO C[NH2+]CCSCc1c([N+](=O)[O-])ncn1C ZINC000577369500 365935244 /nfs/dbraw/zinc/93/52/44/365935244.db2.gz DCVJBFSQVNYTOO-UHFFFAOYSA-N 1 0 230.293 0.781 20 5 BCBDRO CC(C)[C@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000362188531 187383729 /nfs/dbraw/zinc/38/37/29/187383729.db2.gz HXYLITFRQVQJGM-QMMMGPOBSA-N 1 0 242.279 0.435 20 5 BCBDRO O=[N+]([O-])c1ncccc1OC[C@H]1C[NH2+]CCO1 ZINC000594699507 348101807 /nfs/dbraw/zinc/10/18/07/348101807.db2.gz XFVNWHVLIFTPPP-MRVPVSSYSA-N 1 0 239.231 0.357 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000595982386 348417390 /nfs/dbraw/zinc/41/73/90/348417390.db2.gz JLYCICVSVZCGNN-ZCFIWIBFSA-N 1 0 243.288 0.994 20 5 BCBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000595984647 348418845 /nfs/dbraw/zinc/41/88/45/348418845.db2.gz XQPBLLYNARWFEW-SSDOTTSWSA-N 1 0 240.263 0.271 20 5 BCBDRO CN(CC(C)(C)[NH3+])C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000595935007 348391833 /nfs/dbraw/zinc/39/18/33/348391833.db2.gz QFQJLUQJYLBMLH-UHFFFAOYSA-N 1 0 241.251 0.127 20 5 BCBDRO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595924917 348402572 /nfs/dbraw/zinc/40/25/72/348402572.db2.gz JQTBLPMXBABXMH-MGCOHNPYSA-N 1 0 249.270 0.948 20 5 BCBDRO Cc1ccnc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000070062875 350500816 /nfs/dbraw/zinc/50/08/16/350500816.db2.gz NGXZSEHAUBFPLG-MRVPVSSYSA-N 1 0 222.248 0.836 20 5 BCBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000063170293 351267276 /nfs/dbraw/zinc/26/72/76/351267276.db2.gz HKKJYJGKSPVRIN-SSDOTTSWSA-N 1 0 240.263 0.400 20 5 BCBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000090322771 363038255 /nfs/dbraw/zinc/03/82/55/363038255.db2.gz FJHFSSVRNBQXOA-HTQZYQBOSA-N 1 0 235.247 0.040 20 5 BCBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[NH2+]C1 ZINC000230733645 352320976 /nfs/dbraw/zinc/32/09/76/352320976.db2.gz UJDGWBUXPAVYDX-SNVBAGLBSA-N 1 0 238.247 0.405 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]([NH3+])C1 ZINC000346090955 180772357 /nfs/dbraw/zinc/77/23/57/180772357.db2.gz LFTNUESSWRCNEI-QMMMGPOBSA-N 1 0 239.279 0.251 20 5 BCBDRO C[NH2+]CCN(C)c1ncc([N+](=O)[O-])cc1F ZINC000420225815 192177982 /nfs/dbraw/zinc/17/79/82/192177982.db2.gz JVEOPQFVNUTDIU-UHFFFAOYSA-N 1 0 228.227 0.785 20 5 BCBDRO Cc1nc(NCC2([NH3+])CCC2)ncc1[N+](=O)[O-] ZINC000420227732 192179381 /nfs/dbraw/zinc/17/93/81/192179381.db2.gz JONCTRVTAKIQHJ-UHFFFAOYSA-N 1 0 237.263 0.987 20 5 BCBDRO CC(C)(NC(=O)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000236659011 188191055 /nfs/dbraw/zinc/19/10/55/188191055.db2.gz AWNNXIOOQCZOFE-UHFFFAOYSA-N 1 0 237.259 0.905 20 5 BCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000420239601 192183551 /nfs/dbraw/zinc/18/35/51/192183551.db2.gz MDSJOHUTWKHQSA-SSDOTTSWSA-N 1 0 240.238 0.927 20 5 BCBDRO Cc1nc(N2CC[NH2+][C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000420243293 192184645 /nfs/dbraw/zinc/18/46/45/192184645.db2.gz WRELRMOXDFOSML-ZETCQYMHSA-N 1 0 237.263 0.491 20 5 BCBDRO NC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000048027101 181281618 /nfs/dbraw/zinc/28/16/18/181281618.db2.gz PTNUIXDSJOABNI-JTQLQIEISA-N 1 0 249.270 0.902 20 5 BCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH3+])c1 ZINC000088147760 356539223 /nfs/dbraw/zinc/53/92/23/356539223.db2.gz GFSMWQURIUCTDV-MRVPVSSYSA-N 1 0 237.259 0.980 20 5 BCBDRO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000037988059 357021151 /nfs/dbraw/zinc/02/11/51/357021151.db2.gz SLFLVAXJWDMTSY-ZETCQYMHSA-N 1 0 227.268 0.690 20 5 BCBDRO C[NH+](C)CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000224077652 358428033 /nfs/dbraw/zinc/42/80/33/358428033.db2.gz AMCSGEVCUDTEND-UHFFFAOYSA-N 1 0 245.666 0.972 20 5 BCBDRO CC[NH2+]CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000579004496 366692593 /nfs/dbraw/zinc/69/25/93/366692593.db2.gz FFTXFKRWVKEJLF-UHFFFAOYSA-N 1 0 241.251 0.047 20 5 BCBDRO [NH3+]CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676244 181367836 /nfs/dbraw/zinc/36/78/36/181367836.db2.gz DCKKWPLYUXOPOU-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000019439102 181381752 /nfs/dbraw/zinc/38/17/52/181381752.db2.gz QIRBBFUSUAQOPO-UHFFFAOYSA-N 1 0 223.232 0.673 20 5 BCBDRO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000019473125 181381875 /nfs/dbraw/zinc/38/18/75/181381875.db2.gz LOZYPSZDMCOCGW-UHFFFAOYSA-N 1 0 213.193 0.266 20 5 BCBDRO [NH3+]CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000158639308 181392814 /nfs/dbraw/zinc/39/28/14/181392814.db2.gz HMNXMEYRZQJXTJ-UHFFFAOYSA-N 1 0 237.259 0.602 20 5 BCBDRO [NH3+]CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000037902467 181394487 /nfs/dbraw/zinc/39/44/87/181394487.db2.gz CPIHRSQVMBHIMQ-UHFFFAOYSA-N 1 0 223.232 0.212 20 5 BCBDRO [NH3+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000037902468 181394714 /nfs/dbraw/zinc/39/47/14/181394714.db2.gz HNUBJJHAKMNNOE-UHFFFAOYSA-N 1 0 223.232 0.212 20 5 BCBDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000579953503 367099885 /nfs/dbraw/zinc/09/98/85/367099885.db2.gz KPUUCHUSFFBAQF-AOOOYVTPSA-N 1 0 249.270 0.948 20 5 BCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000567473164 326199402 /nfs/dbraw/zinc/19/94/02/326199402.db2.gz BBZDDZIUZKYCHC-PHDIDXHHSA-N 1 0 241.251 0.174 20 5 BCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)CO ZINC000123152079 369400445 /nfs/dbraw/zinc/40/04/45/369400445.db2.gz DGDMOIZSAPKKOH-QMMMGPOBSA-N 1 0 242.279 0.412 20 5 BCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[NH3+] ZINC000111301952 370125977 /nfs/dbraw/zinc/12/59/77/370125977.db2.gz PZRDDUVDBXJOLI-QMMMGPOBSA-N 1 0 237.259 0.980 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000050228544 181649922 /nfs/dbraw/zinc/64/99/22/181649922.db2.gz UZKJOFAZFOZOMB-JTQLQIEISA-N 1 0 249.270 0.697 20 5 BCBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351808705 371661814 /nfs/dbraw/zinc/66/18/14/371661814.db2.gz KGUYTYPZRMZPCZ-WCBMZHEXSA-N 1 0 240.263 0.104 20 5 BCBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351808703 371662317 /nfs/dbraw/zinc/66/23/17/371662317.db2.gz KGUYTYPZRMZPCZ-SCZZXKLOSA-N 1 0 240.263 0.104 20 5 BCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000126944345 182042835 /nfs/dbraw/zinc/04/28/35/182042835.db2.gz KOHOHXJREGLQDL-JTQLQIEISA-N 1 0 249.270 0.615 20 5 BCBDRO C[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676250 373586879 /nfs/dbraw/zinc/58/68/79/373586879.db2.gz BVBTZWSINCTZNT-QMMMGPOBSA-N 1 0 237.259 0.601 20 5 BCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000052093079 182304714 /nfs/dbraw/zinc/30/47/14/182304714.db2.gz XKDBQIIFQOWIBC-ZCFIWIBFSA-N 1 0 241.272 0.748 20 5 BCBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000071397103 182329507 /nfs/dbraw/zinc/32/95/07/182329507.db2.gz YMMQTRPSXQMBSE-ZETCQYMHSA-N 1 0 238.247 0.405 20 5 BCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[NH2+]CC1 ZINC000020213924 182651618 /nfs/dbraw/zinc/65/16/18/182651618.db2.gz UBRLYYYDKLMEIF-UHFFFAOYSA-N 1 0 238.247 0.358 20 5 BCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]CC1 ZINC000019278288 182664732 /nfs/dbraw/zinc/66/47/32/182664732.db2.gz MBPUFZRCTNDVBH-UHFFFAOYSA-N 1 0 225.204 0.233 20 5 BCBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000054264236 169259701 /nfs/dbraw/zinc/25/97/01/169259701.db2.gz JEBPJOWZUSJUJL-UHFFFAOYSA-N 1 0 241.247 0.917 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111302866 383850385 /nfs/dbraw/zinc/85/03/85/383850385.db2.gz VXQKBBFZXHIWGK-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO [NH3+][C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000050228149 383975945 /nfs/dbraw/zinc/97/59/45/383975945.db2.gz HNHNVQCMXWVBCR-ZETCQYMHSA-N 1 0 241.272 0.830 20 5 BCBDRO CC(C)[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000362175584 384173873 /nfs/dbraw/zinc/17/38/73/384173873.db2.gz FGAMZFSKMFFNQJ-JTQLQIEISA-N 1 0 242.279 0.398 20 5 BCBDRO C[N@H+](C[C@@H](O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000310426751 384165508 /nfs/dbraw/zinc/16/55/08/384165508.db2.gz MBESDKFSXQJUOI-SECBINFHSA-N 1 0 240.263 0.246 20 5 BCBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176206265 384466814 /nfs/dbraw/zinc/46/68/14/384466814.db2.gz GQPVFRHUBRCJRD-UHFFFAOYSA-N 1 0 210.237 0.886 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2CO)n1 ZINC000176218966 384482427 /nfs/dbraw/zinc/48/24/27/384482427.db2.gz YOGOUSPXJXULBI-SECBINFHSA-N 1 0 240.263 0.248 20 5 BCBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000147894655 384534514 /nfs/dbraw/zinc/53/45/14/384534514.db2.gz XGFOAHBYHJHYHD-SSDOTTSWSA-N 1 0 238.247 0.357 20 5 BCBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000147913231 384863228 /nfs/dbraw/zinc/86/32/28/384863228.db2.gz WJFJLGGDDVHDRG-ZETCQYMHSA-N 1 0 239.231 0.622 20 5 BCBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000062010274 385023060 /nfs/dbraw/zinc/02/30/60/385023060.db2.gz RCMDTUWYMPQACE-UHFFFAOYSA-N 1 0 237.263 0.891 20 5 BCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000516861537 385163203 /nfs/dbraw/zinc/16/32/03/385163203.db2.gz VOTJZECSKCNOKA-VHSXEESVSA-N 1 0 235.243 0.558 20 5 BCBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261576678 385820675 /nfs/dbraw/zinc/82/06/75/385820675.db2.gz KOEAZYHOHYAIMT-ZCFIWIBFSA-N 1 0 226.236 0.261 20 5 BCBDRO C[N@@H+]1CC[C@@H](Cn2cnc([N+](=O)[O-])n2)C1 ZINC000187681095 134476051 /nfs/dbraw/zinc/47/60/51/134476051.db2.gz OTXCVZPIXBXPBH-SSDOTTSWSA-N 1 0 211.225 0.138 20 5 BCBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000063170569 386323562 /nfs/dbraw/zinc/32/35/62/386323562.db2.gz XSEUZKHSXVFHNT-ZCFIWIBFSA-N 1 0 227.220 0.655 20 5 BCBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000063170297 386324138 /nfs/dbraw/zinc/32/41/38/386324138.db2.gz RYTCSBHAEDSXHR-ZCFIWIBFSA-N 1 0 226.236 0.390 20 5 BCBDRO CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000267708401 386469453 /nfs/dbraw/zinc/46/94/53/386469453.db2.gz VUGLSVBPUMQDBC-JTQLQIEISA-N 1 0 240.263 0.512 20 5 BCBDRO C[C@@H]([NH3+])CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000074533113 386903077 /nfs/dbraw/zinc/90/30/77/386903077.db2.gz AFZXPWXVRUFAMH-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO C[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152018814 387202538 /nfs/dbraw/zinc/20/25/38/387202538.db2.gz SMWXZFSOZVFWRA-SSDOTTSWSA-N 1 0 235.243 0.831 20 5 BCBDRO C[NH+](C)CCCNc1ncc([N+](=O)[O-])cn1 ZINC000040454465 387677115 /nfs/dbraw/zinc/67/71/15/387677115.db2.gz FYTCJKJCFMXTLJ-UHFFFAOYSA-N 1 0 225.252 0.748 20 5 BCBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000237566725 387686636 /nfs/dbraw/zinc/68/66/36/387686636.db2.gz PWAPEIGJIPWLKH-ZCFIWIBFSA-N 1 0 227.220 0.512 20 5 BCBDRO C[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040456495 387806992 /nfs/dbraw/zinc/80/69/92/387806992.db2.gz PUTWBKLEISVJKS-LURJTMIESA-N 1 0 209.205 0.881 20 5 BCBDRO C[C@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000141931731 388257815 /nfs/dbraw/zinc/25/78/15/388257815.db2.gz ZLCQXHHJEUAMRI-MRVPVSSYSA-N 1 0 237.259 0.601 20 5 BCBDRO CO[C@@H](C)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000353200116 388368382 /nfs/dbraw/zinc/36/83/82/388368382.db2.gz AVGVAPMDMULEBZ-VIFPVBQESA-N 1 0 242.279 0.758 20 5 BCBDRO CC[C@@H](COC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539077 388372323 /nfs/dbraw/zinc/37/23/23/388372323.db2.gz PMWSOTQGBFKUGD-VIFPVBQESA-N 1 0 242.279 0.806 20 5 BCBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000122308853 388374290 /nfs/dbraw/zinc/37/42/90/388374290.db2.gz PXPVPOQUBGLQLE-ZETCQYMHSA-N 1 0 239.231 0.751 20 5 BCBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122311668 388374525 /nfs/dbraw/zinc/37/45/25/388374525.db2.gz CWAUYJMCEPNKLC-ZETCQYMHSA-N 1 0 238.247 0.486 20 5 BCBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122311487 388374769 /nfs/dbraw/zinc/37/47/69/388374769.db2.gz CWAUYJMCEPNKLC-SSDOTTSWSA-N 1 0 238.247 0.486 20 5 BCBDRO COC[C@](C)([NH3+])CNc1ccncc1[N+](=O)[O-] ZINC000358224839 388398053 /nfs/dbraw/zinc/39/80/53/388398053.db2.gz QMUHHYMFWNMEFH-SNVBAGLBSA-N 1 0 240.263 0.187 20 5 BCBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000271688251 388398966 /nfs/dbraw/zinc/39/89/66/388398966.db2.gz DTPOWCQDQZVOAT-UHFFFAOYSA-N 1 0 239.231 0.574 20 5 BCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCOCC2)n1 ZINC000368539020 388682705 /nfs/dbraw/zinc/68/27/05/388682705.db2.gz NYZZSVJRSKMVPG-UHFFFAOYSA-N 1 0 240.263 0.514 20 5 BCBDRO Cc1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000019427758 388740539 /nfs/dbraw/zinc/74/05/39/388740539.db2.gz BKZBBMJGLFJZIV-UHFFFAOYSA-N 1 0 237.259 0.982 20 5 BCBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000422845560 388686911 /nfs/dbraw/zinc/68/69/11/388686911.db2.gz CGPLPQKVKNDHIJ-LURJTMIESA-N 1 0 241.251 0.031 20 5 BCBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000082578574 388728671 /nfs/dbraw/zinc/72/86/71/388728671.db2.gz KODANAPVHAZDEQ-ZCFIWIBFSA-N 1 0 227.220 0.655 20 5 BCBDRO C[C@H](C(N)=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153045238 388933706 /nfs/dbraw/zinc/93/37/06/388933706.db2.gz BSFFSCVZSYAJKE-MRVPVSSYSA-N 1 0 249.270 0.827 20 5 BCBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000133672317 397977101 /nfs/dbraw/zinc/97/71/01/397977101.db2.gz ZUQWADKEKBYBOU-SSDOTTSWSA-N 1 0 238.247 0.262 20 5 BCBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])n1C ZINC000305997266 398102869 /nfs/dbraw/zinc/10/28/69/398102869.db2.gz MZBINIHOTRRILB-UHFFFAOYSA-N 1 0 240.263 0.354 20 5 BCBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000054263191 170115397 /nfs/dbraw/zinc/11/53/97/170115397.db2.gz SGNJTCGKWKVYSM-UHFFFAOYSA-N 1 0 226.236 0.262 20 5 BCBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[NH2+]C1 ZINC000071310097 172337380 /nfs/dbraw/zinc/33/73/80/172337380.db2.gz INLQFABDQBDBRH-ZETCQYMHSA-N 1 0 238.247 0.357 20 5 BCBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[NH2+]C1 ZINC000071310102 172341563 /nfs/dbraw/zinc/34/15/63/172341563.db2.gz DDIMPPRFAUXZPD-SSDOTTSWSA-N 1 0 238.247 0.357 20 5 BCBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](C)CC1 ZINC000008317652 173018341 /nfs/dbraw/zinc/01/83/41/173018341.db2.gz PHXVNJAGXJNCNI-UHFFFAOYSA-N 1 0 239.279 0.470 20 5 BCBDRO CNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037207836 173278211 /nfs/dbraw/zinc/27/82/11/173278211.db2.gz GUJWNAWEQBUBGC-QMMMGPOBSA-N 1 0 237.259 0.991 20 5 BCBDRO C[NH2+]C(C)(C)CNc1c([N+](=O)[O-])ncn1C ZINC000269964518 173319779 /nfs/dbraw/zinc/31/97/79/173319779.db2.gz MRLSCDGFEKUMQY-UHFFFAOYSA-N 1 0 227.268 0.738 20 5 BCBDRO C[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132624068 173354845 /nfs/dbraw/zinc/35/48/45/173354845.db2.gz CSHCUDSPLZSQKE-UHFFFAOYSA-N 1 0 241.222 0.683 20 5 BCBDRO C[NH2+]CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000054244382 173356165 /nfs/dbraw/zinc/35/61/65/173356165.db2.gz HURGNUKDIPMXFY-UHFFFAOYSA-N 1 0 223.232 0.544 20 5 BCBDRO COCCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218721 174216241 /nfs/dbraw/zinc/21/62/41/174216241.db2.gz BVVOMXDHJLDEFU-UHFFFAOYSA-N 1 0 242.279 0.760 20 5 BCBDRO C[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810234 175794271 /nfs/dbraw/zinc/79/42/71/175794271.db2.gz SRQRNUUVWFLWJG-MRVPVSSYSA-N 1 0 237.259 0.900 20 5 BCBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054369638 176327248 /nfs/dbraw/zinc/32/72/48/176327248.db2.gz BZLMLVLOFKJDHK-SSDOTTSWSA-N 1 0 238.247 0.357 20 5 BCBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000054369670 177283644 /nfs/dbraw/zinc/28/36/44/177283644.db2.gz SMLAPDDSJFMZPG-ZETCQYMHSA-N 1 0 238.247 0.357 20 5 BCBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000054370223 177284289 /nfs/dbraw/zinc/28/42/89/177284289.db2.gz QJKOGEWJZVGXTR-ZETCQYMHSA-N 1 0 239.231 0.622 20 5 BCBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000563119194 323093951 /nfs/dbraw/zinc/09/39/51/323093951.db2.gz RDHRDAHFTJGONW-ZCFIWIBFSA-N 1 0 241.251 0.175 20 5 BCBDRO Cc1nc(N(C)[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000563660716 323134081 /nfs/dbraw/zinc/13/40/81/323134081.db2.gz GACLKDJKDYVFBW-MRVPVSSYSA-N 1 0 237.263 0.491 20 5 BCBDRO CN(CCC[NH+](C)C)c1c([N+](=O)[O-])ncn1C ZINC000537190701 324032268 /nfs/dbraw/zinc/03/22/68/324032268.db2.gz UNDZHKABJHEYIE-UHFFFAOYSA-N 1 0 241.295 0.716 20 5 BCBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000566480746 326055947 /nfs/dbraw/zinc/05/59/47/326055947.db2.gz CDPFIFGPSBYBMZ-SECBINFHSA-N 1 0 242.279 0.412 20 5 BCBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854653090 588799335 /nfs/dbraw/zinc/79/93/35/588799335.db2.gz WMURLKNWHJGBTN-DOLQZWNJSA-N 1 0 241.291 0.203 20 5 BCBDRO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000856407368 588871853 /nfs/dbraw/zinc/87/18/53/588871853.db2.gz PTESHPYTURTEOY-SGIHWFKDSA-N 1 0 241.291 0.251 20 5 BCBDRO COc1ccccc1OCC[NH2+]CC[N+](=O)[O-] ZINC000899859646 584242577 /nfs/dbraw/zinc/24/25/77/584242577.db2.gz LRIHVDKJNVALAL-UHFFFAOYSA-N 1 0 240.259 0.940 20 5 BCBDRO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccco1 ZINC000899859674 584242836 /nfs/dbraw/zinc/24/28/36/584242836.db2.gz MDBXMOBUAXZWSQ-SECBINFHSA-N 1 0 227.264 0.749 20 5 BCBDRO C[C@@H](CNCC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000899873990 584245128 /nfs/dbraw/zinc/24/51/28/584245128.db2.gz XCXYWTAXNURYKZ-JTQLQIEISA-N 1 0 215.297 0.727 20 5 BCBDRO CN(CC[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000899873406 584245956 /nfs/dbraw/zinc/24/59/56/584245956.db2.gz OBNCEHMWJSAFAU-UHFFFAOYSA-N 1 0 237.303 0.985 20 5 BCBDRO CCOC(=O)[C@@H](C)C1CN(CC[N+](=O)[O-])C1 ZINC000899894320 584248062 /nfs/dbraw/zinc/24/80/62/584248062.db2.gz XGPWQYXTMLVUKM-QMMMGPOBSA-N 1 0 230.264 0.394 20 5 BCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839475995 585105161 /nfs/dbraw/zinc/10/51/61/585105161.db2.gz DSLXOIBVXCGICO-OPRDCNLKSA-N 1 0 241.291 0.252 20 5 BCBDRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707379 585337660 /nfs/dbraw/zinc/33/76/60/585337660.db2.gz UBXOJIVFUIDGJP-NXEZZACHSA-N 1 0 243.307 0.452 20 5 BCBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839714406 585338099 /nfs/dbraw/zinc/33/80/99/585338099.db2.gz DYEBOIYRUCBEJD-UTINFBMNSA-N 1 0 241.291 0.203 20 5 BCBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839727379 585338636 /nfs/dbraw/zinc/33/86/36/585338636.db2.gz AXPCHYVKZYIRMB-OPRDCNLKSA-N 1 0 241.291 0.252 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761093198 585408409 /nfs/dbraw/zinc/40/84/09/585408409.db2.gz NKPWFFPBGLLFQG-WCBMZHEXSA-N 1 0 222.248 0.886 20 5 BCBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)C2CC2)c1 ZINC000771812474 585601062 /nfs/dbraw/zinc/60/10/62/585601062.db2.gz IQTLCHFXBXGOFS-JTQLQIEISA-N 1 0 240.263 0.152 20 5 BCBDRO CC1(C2CC[NH+](CC[N+](=O)[O-])CC2)OCCO1 ZINC000787730330 585915052 /nfs/dbraw/zinc/91/50/52/585915052.db2.gz NTLYHTXIZVEZEI-UHFFFAOYSA-N 1 0 244.291 0.738 20 5 BCBDRO CC[NH+](CC)[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791051355 585972857 /nfs/dbraw/zinc/97/28/57/585972857.db2.gz BIOMUAUFQMZZAY-SNVBAGLBSA-N 1 0 215.297 0.679 20 5 BCBDRO COC(=O)[C@H](C)C[N@H+](C)CC[N+](=O)[O-] ZINC000791054782 585973155 /nfs/dbraw/zinc/97/31/55/585973155.db2.gz XTBFCFQGIXZKDX-SSDOTTSWSA-N 1 0 204.226 0.004 20 5 BCBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C ZINC000822458311 587169431 /nfs/dbraw/zinc/16/94/31/587169431.db2.gz RZECIEXEXQVILQ-SECBINFHSA-N 1 0 245.323 0.888 20 5 BCBDRO C[NH+](C)CCCCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842314046 588016269 /nfs/dbraw/zinc/01/62/69/588016269.db2.gz ZZCMXICKJYPNLT-NXEZZACHSA-N 1 0 244.291 0.927 20 5 BCBDRO [NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC1 ZINC000849013821 588436275 /nfs/dbraw/zinc/43/62/75/588436275.db2.gz LYYYAWXVRZHXKP-UHFFFAOYSA-N 1 0 238.251 0.021 20 5 BCBDRO C[NH2+]Cc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864641967 589386811 /nfs/dbraw/zinc/38/68/11/589386811.db2.gz DYZAHVKVXJQSKA-UHFFFAOYSA-N 1 0 213.241 0.053 20 5 BCBDRO CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870862563 589691658 /nfs/dbraw/zinc/69/16/58/589691658.db2.gz VIGBZRRSBZLYLY-JTQLQIEISA-N 1 0 223.232 0.515 20 5 BCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCO)C2)c1 ZINC000876886870 590254016 /nfs/dbraw/zinc/25/40/16/590254016.db2.gz CFJBABQCKTZHJX-UHFFFAOYSA-N 1 0 240.263 0.467 20 5 BCBDRO C[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134755728 591949155 /nfs/dbraw/zinc/94/91/55/591949155.db2.gz JYDGTTIKGXBNHP-KWQFWETISA-N 1 0 240.259 0.599 20 5 BCBDRO C[N@H+](CCO)CCNc1ncc([N+](=O)[O-])s1 ZINC000884825259 592023782 /nfs/dbraw/zinc/02/37/82/592023782.db2.gz NUWUTZVITKVZGT-UHFFFAOYSA-N 1 0 246.292 0.387 20 5 BCBDRO C[C@]1(O)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032409 592136420 /nfs/dbraw/zinc/13/64/20/592136420.db2.gz GAZWWCGGRPRLKL-NSHDSACASA-N 1 0 237.259 0.947 20 5 BCBDRO [NH3+][C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827938 592349562 /nfs/dbraw/zinc/34/95/62/592349562.db2.gz URUSHUAXLUOPLV-SECBINFHSA-N 1 0 222.248 0.523 20 5 BCBDRO CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886827084 592351136 /nfs/dbraw/zinc/35/11/36/592351136.db2.gz DCICUONWAODAJD-SNVBAGLBSA-N 1 0 236.275 0.784 20 5 BCBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000886830588 592354065 /nfs/dbraw/zinc/35/40/65/592354065.db2.gz URIAEZYCNHUYBD-SECBINFHSA-N 1 0 236.275 0.784 20 5 BCBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1cccnc1[N+](=O)[O-] ZINC000886841261 592359576 /nfs/dbraw/zinc/35/95/76/592359576.db2.gz GNCQVORPHXNSSC-WPRPVWTQSA-N 1 0 236.275 0.911 20 5 BCBDRO O=[N+]([O-])c1cn(CCC[NH2+]C2CC2)cn1 ZINC000042410193 637231296 /nfs/dbraw/zinc/23/12/96/637231296.db2.gz GJXFOWKXTPTZNH-UHFFFAOYSA-N 1 0 210.237 0.933 20 5 BCBDRO NOCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000904458025 637418545 /nfs/dbraw/zinc/41/85/45/637418545.db2.gz XXZXUDIQUSMEIR-UHFFFAOYSA-N 1 0 225.248 0.965 20 5 BCBDRO Cc1nccn1CCC[NH2+]CC[N+](=O)[O-] ZINC000905059324 637594045 /nfs/dbraw/zinc/59/40/45/637594045.db2.gz NEVCABLTANVPLW-UHFFFAOYSA-N 1 0 212.253 0.448 20 5 BCBDRO C[C@@H](CNCC[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000905065343 637598706 /nfs/dbraw/zinc/59/87/06/637598706.db2.gz HOKWSSGNZNIILN-NSHDSACASA-N 1 0 229.324 0.973 20 5 BCBDRO CCC[N@@H+]1CC[C@H](CNCC[N+](=O)[O-])C1 ZINC000905064487 637598812 /nfs/dbraw/zinc/59/88/12/637598812.db2.gz AGYIFJJTDRVIDM-SNVBAGLBSA-N 1 0 215.297 0.585 20 5 BCBDRO CC(C)(C)OC(=O)NCC[NH2+]CC[N+](=O)[O-] ZINC000905072085 637603952 /nfs/dbraw/zinc/60/39/52/637603952.db2.gz QFCLLHWBMPDCPD-UHFFFAOYSA-N 1 0 233.268 0.377 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000905076569 637604975 /nfs/dbraw/zinc/60/49/75/637604975.db2.gz QJXQPTKHBGQXQA-SSDOTTSWSA-N 1 0 241.213 0.489 20 5 BCBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905121346 637627741 /nfs/dbraw/zinc/62/77/41/637627741.db2.gz MELADYISFPAGPJ-VHSXEESVSA-N 1 0 243.307 0.500 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CSCCS1 ZINC000905159060 637638475 /nfs/dbraw/zinc/63/84/75/637638475.db2.gz IRYVFRMYIUZTEQ-SSDOTTSWSA-N 1 0 222.335 0.701 20 5 BCBDRO C[NH+](C)[C@@H]1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905156940 637638883 /nfs/dbraw/zinc/63/88/83/637638883.db2.gz WZSMTDKZGNPQJW-NXEZZACHSA-N 1 0 215.297 0.726 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCCOC1CCOCC1 ZINC000905131664 637644764 /nfs/dbraw/zinc/64/47/64/637644764.db2.gz HEBKADZREVDJKG-UHFFFAOYSA-N 1 0 232.280 0.438 20 5 BCBDRO C[C@H]1C[C@@H](NCC[N+](=O)[O-])CC[N@@H+]1C ZINC000905141001 637648790 /nfs/dbraw/zinc/64/87/90/637648790.db2.gz XEAVINMZPHWFQC-IUCAKERBSA-N 1 0 201.270 0.335 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000905185481 637666999 /nfs/dbraw/zinc/66/69/99/637666999.db2.gz BRKGGYZJXAQMOS-JTQLQIEISA-N 1 0 236.275 0.527 20 5 BCBDRO C[C@@H]1C[C@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905196166 637673569 /nfs/dbraw/zinc/67/35/69/637673569.db2.gz QRVMCOXTAOSITK-RKDXNWHRSA-N 1 0 202.254 0.668 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1cscn1 ZINC000905168479 637679451 /nfs/dbraw/zinc/67/94/51/637679451.db2.gz ZPUWGCPAFRPNNB-UHFFFAOYSA-N 1 0 201.251 0.552 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(O)cc1 ZINC000905177002 637684957 /nfs/dbraw/zinc/68/49/57/637684957.db2.gz VIPCQGAYWJCOOJ-UHFFFAOYSA-N 1 0 210.233 0.801 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CCOCC(F)(F)C(F)F ZINC000905229346 637690757 /nfs/dbraw/zinc/69/07/57/637690757.db2.gz AYDCBLBBTQTZAV-UHFFFAOYSA-N 1 0 248.176 0.770 20 5 BCBDRO Cc1nn(C)c(C)c1CCC[NH2+]CC[N+](=O)[O-] ZINC000905198551 637692538 /nfs/dbraw/zinc/69/25/38/637692538.db2.gz ABPPVWKYOKXWKG-UHFFFAOYSA-N 1 0 240.307 0.836 20 5 BCBDRO CC(C)OC(=O)CCC[NH2+]CC[N+](=O)[O-] ZINC000905212064 637698188 /nfs/dbraw/zinc/69/81/88/637698188.db2.gz IGCPBMWTOLCYJY-UHFFFAOYSA-N 1 0 218.253 0.585 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000905215255 637699807 /nfs/dbraw/zinc/69/98/07/637699807.db2.gz MKRMEXBGKCLUBH-NXEZZACHSA-N 1 0 214.265 0.810 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCSC1 ZINC000905261767 637716368 /nfs/dbraw/zinc/71/63/68/637716368.db2.gz KZTZSTCQEWTWJR-MRVPVSSYSA-N 1 0 204.295 0.996 20 5 BCBDRO Cc1ncsc1CC[NH2+]CC[N+](=O)[O-] ZINC000905275807 637733211 /nfs/dbraw/zinc/73/32/11/637733211.db2.gz ZTGJNZJCDVAJAE-UHFFFAOYSA-N 1 0 215.278 0.860 20 5 BCBDRO O=[N+]([O-])CCNC1CC[NH+](C2CCC2)CC1 ZINC000905278794 637735191 /nfs/dbraw/zinc/73/51/91/637735191.db2.gz GUCODPPPFZGVRI-UHFFFAOYSA-N 1 0 227.308 0.870 20 5 BCBDRO O=[N+]([O-])CCNCc1ccc2c[nH+]cn2c1 ZINC000905285516 637738024 /nfs/dbraw/zinc/73/80/24/637738024.db2.gz STQVALRMAJHCLF-UHFFFAOYSA-N 1 0 220.232 0.701 20 5 BCBDRO CC[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905287976 637739187 /nfs/dbraw/zinc/73/91/87/637739187.db2.gz KCQMRJUMEDDEAW-IUCAKERBSA-N 1 0 202.254 0.810 20 5 BCBDRO C[C@@H]1C[C@H](C[NH2+]CC[N+](=O)[O-])[C@@H](C)O1 ZINC000905286734 637740178 /nfs/dbraw/zinc/74/01/78/637740178.db2.gz RLEBIDPLOWLCDT-IWSPIJDZSA-N 1 0 202.254 0.666 20 5 BCBDRO CCC(CC)[C@@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905347904 637768638 /nfs/dbraw/zinc/76/86/38/637768638.db2.gz CTXAUOKQRQAXRB-VIFPVBQESA-N 1 0 204.270 0.650 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccccc1F ZINC000905341656 637783344 /nfs/dbraw/zinc/78/33/44/637783344.db2.gz PSNZQMPHNJEJSP-SNVBAGLBSA-N 1 0 228.223 0.725 20 5 BCBDRO CC(C)CC[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905389348 637786288 /nfs/dbraw/zinc/78/62/88/637786288.db2.gz JWVADJDYUIZSSG-VIFPVBQESA-N 1 0 204.270 0.650 20 5 BCBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905365279 637787856 /nfs/dbraw/zinc/78/78/56/637787856.db2.gz IPWSXGVYRBXXIM-SECBINFHSA-N 1 0 218.297 0.896 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000905364624 637788073 /nfs/dbraw/zinc/78/80/73/637788073.db2.gz KSCGEBKRXVMXSP-NSHDSACASA-N 1 0 242.250 0.595 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000905371098 637790850 /nfs/dbraw/zinc/79/08/50/637790850.db2.gz FXIHRRXSNHMBJM-LBPRGKRZSA-N 1 0 238.287 0.846 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H](CO)CC1CCC1 ZINC000905371729 637791984 /nfs/dbraw/zinc/79/19/84/637791984.db2.gz ICSZJIUMAZWCNY-VIFPVBQESA-N 1 0 202.254 0.404 20 5 BCBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)C(C)C ZINC000905375730 637792937 /nfs/dbraw/zinc/79/29/37/637792937.db2.gz ZJEDEFRKYZDTNW-RKDXNWHRSA-N 1 0 204.270 0.648 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000905396761 637807910 /nfs/dbraw/zinc/80/79/10/637807910.db2.gz TZEYDPPYTDKECE-IUCAKERBSA-N 1 0 200.238 0.420 20 5 BCBDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]CC[N+](=O)[O-])O2)CO1 ZINC000905480591 637819269 /nfs/dbraw/zinc/81/92/69/637819269.db2.gz AKHORLGBPWPXEL-GMTAPVOTSA-N 1 0 244.291 0.579 20 5 BCBDRO COC(=O)CC(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905529591 637846087 /nfs/dbraw/zinc/84/60/87/637846087.db2.gz ANEVSXFERULQOQ-UHFFFAOYSA-N 1 0 218.253 0.442 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC1CC2(C1)OCCO2 ZINC000905593911 637857292 /nfs/dbraw/zinc/85/72/92/637857292.db2.gz TYJNAGFDXROSGF-UHFFFAOYSA-N 1 0 216.237 0.006 20 5 BCBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000905653401 637873046 /nfs/dbraw/zinc/87/30/46/637873046.db2.gz PFUDEAZQHFKZCV-NXEZZACHSA-N 1 0 216.281 0.794 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000905705435 637891149 /nfs/dbraw/zinc/89/11/49/637891149.db2.gz YMQNPLXHSXFTKE-QWRGUYRKSA-N 1 0 222.244 0.511 20 5 BCBDRO Cc1nn(C[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000905733313 637902339 /nfs/dbraw/zinc/90/23/39/637902339.db2.gz HWKFHCYJLBVWPQ-APPZFPTMSA-N 1 0 224.264 0.955 20 5 BCBDRO CN(CC[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000930249040 639659137 /nfs/dbraw/zinc/65/91/37/639659137.db2.gz ORMGHHLMZDCMSH-UHFFFAOYSA-N 1 0 215.297 0.679 20 5 BCBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N+](=O)[O-] ZINC000930459140 639758649 /nfs/dbraw/zinc/75/86/49/639758649.db2.gz ZWTIJGPWPMMSGM-WDEREUQCSA-N 1 0 227.308 0.822 20 5 BCBDRO CCC[C@@]1([NH2+]CC[N+](=O)[O-])CCOC1 ZINC000930462189 639764002 /nfs/dbraw/zinc/76/40/02/639764002.db2.gz XBCZIEPWKVSHGJ-SECBINFHSA-N 1 0 202.254 0.812 20 5 BCBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930607007 639819663 /nfs/dbraw/zinc/81/96/63/639819663.db2.gz LCKJMBZTUMVLRM-IUCAKERBSA-N 1 0 202.254 0.356 20 5 BCBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000930631421 639832573 /nfs/dbraw/zinc/83/25/73/639832573.db2.gz DHMQAFVULPFQSS-AEJSXWLSSA-N 1 0 226.276 0.810 20 5 BCBDRO C[N@H+](CC[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000930650913 639845311 /nfs/dbraw/zinc/84/53/11/639845311.db2.gz QQNQKSZUWOZLOJ-SECBINFHSA-N 1 0 218.297 0.992 20 5 BCBDRO CC[N@@H+]1CCCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930711206 639875341 /nfs/dbraw/zinc/87/53/41/639875341.db2.gz IWDLPWMOMMHZJI-JTQLQIEISA-N 1 0 215.297 0.679 20 5 BCBDRO COC(=O)[C@]1(C)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930735874 639885672 /nfs/dbraw/zinc/88/56/72/639885672.db2.gz CCIQLSDCYCCWJR-SNVBAGLBSA-N 1 0 230.264 0.538 20 5 BCBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000930846063 639945407 /nfs/dbraw/zinc/94/54/07/639945407.db2.gz ASBYATBEJJEFBG-DTWKUNHWSA-N 1 0 204.270 0.650 20 5 BCBDRO C[C@@]12COC[C@]1(C)C[N@@H+](CC[N+](=O)[O-])C2 ZINC000930972320 640007030 /nfs/dbraw/zinc/00/70/30/640007030.db2.gz ZHCWCNXQDKLIOL-AOOOYVTPSA-N 1 0 214.265 0.622 20 5 BCBDRO COC(=O)C[C@](C)([NH2+]CC[N+](=O)[O-])C1CC1 ZINC000931509455 640238423 /nfs/dbraw/zinc/23/84/23/640238423.db2.gz PEAFUNSOIJYSEI-JTQLQIEISA-N 1 0 230.264 0.585 20 5 BCBDRO C[N@@H+]1CC[C@H]2CN(CC[N+](=O)[O-])CC[C@H]21 ZINC000931545172 640268537 /nfs/dbraw/zinc/26/85/37/640268537.db2.gz BDJFBKFNLXWQAG-VHSXEESVSA-N 1 0 213.281 0.289 20 5 BCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC[N+](=O)[O-] ZINC000931620841 640293875 /nfs/dbraw/zinc/29/38/75/640293875.db2.gz HSKCAILIBNMMPW-UWVGGRQHSA-N 1 0 213.281 0.432 20 5 BCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC[N+](=O)[O-] ZINC000931620842 640294537 /nfs/dbraw/zinc/29/45/37/640294537.db2.gz HSKCAILIBNMMPW-VHSXEESVSA-N 1 0 213.281 0.432 20 5 BCBDRO O=[N+]([O-])CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000931706801 640329088 /nfs/dbraw/zinc/32/90/88/640329088.db2.gz LDCAWSPENUXGJX-SNVBAGLBSA-N 1 0 244.291 0.127 20 5 BCBDRO CC[C@@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000931773197 640366300 /nfs/dbraw/zinc/36/63/00/640366300.db2.gz RGZDIHRUNXRNCD-VIFPVBQESA-N 1 0 225.248 0.850 20 5 BCBDRO Cn1nccc1[C@H]1CCCN1CC[N+](=O)[O-] ZINC000932261994 640463376 /nfs/dbraw/zinc/46/33/76/640463376.db2.gz MFVFHKWHFFUXSP-SNVBAGLBSA-N 1 0 224.264 0.834 20 5 BCBDRO C[N@@H+]1CCC[C@@H]1Cn1nccc1[N+](=O)[O-] ZINC000916723331 641970687 /nfs/dbraw/zinc/97/06/87/641970687.db2.gz REVAURBPWXGXDN-MRVPVSSYSA-N 1 0 210.237 0.886 20 5 BCBDRO C[C@@H]([NH2+]C[C@H](O)CO)c1ccccc1[N+](=O)[O-] ZINC000090281898 643127323 /nfs/dbraw/zinc/12/73/23/643127323.db2.gz HBNNCOUBWLLUMN-BDAKNGLRSA-N 1 0 240.259 0.599 20 5 BCBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000932486971 643311938 /nfs/dbraw/zinc/31/19/38/643311938.db2.gz FNRWRXOBQWVRBO-IONNQARKSA-N 1 0 240.263 0.453 20 5 BCBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000932486972 643312186 /nfs/dbraw/zinc/31/21/86/643312186.db2.gz FNRWRXOBQWVRBO-VXNVDRBHSA-N 1 0 240.263 0.453 20 5 BCBDRO C[C@@H](C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000082584600 643981162 /nfs/dbraw/zinc/98/11/62/643981162.db2.gz ZQCUEFZZALPOHR-ZETCQYMHSA-N 1 0 223.232 0.672 20 5 BCBDRO CC(C)(CCC(=O)NCC[NH+]1CCC1)[N+](=O)[O-] ZINC000827238763 645075225 /nfs/dbraw/zinc/07/52/25/645075225.db2.gz XKRJYMOLKFJWMC-UHFFFAOYSA-N 1 0 243.307 0.644 20 5 BCBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929420684 646114849 /nfs/dbraw/zinc/11/48/49/646114849.db2.gz RMKRSNSOALXIFF-SNVBAGLBSA-N 1 0 243.307 0.501 20 5 BCBDRO CC(C)(C)C[N@H+](CCO)CC[N+](=O)[O-] ZINC000929600478 646192376 /nfs/dbraw/zinc/19/23/76/646192376.db2.gz HUQSQNFZUJXMGB-UHFFFAOYSA-N 1 0 204.270 0.604 20 5 BCBDRO CC[NH+]1CCC(N(C)CC[N+](=O)[O-])CC1 ZINC000929779328 646309714 /nfs/dbraw/zinc/30/97/14/646309714.db2.gz MLOCAAHGJBRKNN-UHFFFAOYSA-N 1 0 215.297 0.679 20 5 BCBDRO O=[N+]([O-])CC[NH2+]C1(CCO)CCCCC1 ZINC000930024948 646399332 /nfs/dbraw/zinc/39/93/32/646399332.db2.gz WHLKVFGZKAAYQV-UHFFFAOYSA-N 1 0 216.281 0.938 20 5 BCBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930163686 646454841 /nfs/dbraw/zinc/45/48/41/646454841.db2.gz VAEZFCVXOYJVDK-IUCAKERBSA-N 1 0 201.270 0.288 20 5 BCBDRO CC(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000036950866 712516210 /nfs/dbraw/zinc/51/62/10/712516210.db2.gz IPLPRWXXILRUTP-VIFPVBQESA-N 1 0 228.252 0.150 20 5 BCBDRO CNC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037224643 712554553 /nfs/dbraw/zinc/55/45/53/712554553.db2.gz DFEXIEPQNFZIKV-MRVPVSSYSA-N 1 0 237.259 0.991 20 5 BCBDRO C[NH+](C)C[C@@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000717282068 712644593 /nfs/dbraw/zinc/64/45/93/712644593.db2.gz VNFKQLPJCDZVNT-ZETCQYMHSA-N 1 0 245.304 0.991 20 5 BCBDRO C[C@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000719570489 712810635 /nfs/dbraw/zinc/81/06/35/712810635.db2.gz DVMUNSCKSHJNJS-JGVFFNPUSA-N 1 0 239.279 0.833 20 5 BCBDRO