smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000735490777 722516739 /nfs/dbraw/zinc/51/67/39/722516739.db2.gz QNJBKRTXXMVNTF-UHFFFAOYSA-N 2 2 367.877 3.183 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080961342 493800018 /nfs/dbraw/zinc/80/00/18/493800018.db2.gz DFEVYIVMMCOQFK-HNNXBMFYSA-N 2 2 367.409 3.395 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080961342 493800021 /nfs/dbraw/zinc/80/00/21/493800021.db2.gz DFEVYIVMMCOQFK-HNNXBMFYSA-N 2 2 367.409 3.395 20 5 FGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909992 494398983 /nfs/dbraw/zinc/39/89/83/494398983.db2.gz FGFLXUMJFZYBQV-YJBOKZPZSA-N 2 2 356.426 3.166 20 5 FGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909992 494398986 /nfs/dbraw/zinc/39/89/86/494398986.db2.gz FGFLXUMJFZYBQV-YJBOKZPZSA-N 2 2 356.426 3.166 20 5 FGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909992 494398991 /nfs/dbraw/zinc/39/89/91/494398991.db2.gz FGFLXUMJFZYBQV-YJBOKZPZSA-N 2 2 356.426 3.166 20 5 FGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909992 494398993 /nfs/dbraw/zinc/39/89/93/494398993.db2.gz FGFLXUMJFZYBQV-YJBOKZPZSA-N 2 2 356.426 3.166 20 5 FGBDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978800 495215158 /nfs/dbraw/zinc/21/51/58/495215158.db2.gz WDOHJDCGFMMXFA-WCQYABFASA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978800 495215162 /nfs/dbraw/zinc/21/51/62/495215162.db2.gz WDOHJDCGFMMXFA-WCQYABFASA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978800 495215165 /nfs/dbraw/zinc/21/51/65/495215165.db2.gz WDOHJDCGFMMXFA-WCQYABFASA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978800 495215171 /nfs/dbraw/zinc/21/51/71/495215171.db2.gz WDOHJDCGFMMXFA-WCQYABFASA-N 2 2 373.400 3.119 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191506270 496789165 /nfs/dbraw/zinc/78/91/65/496789165.db2.gz NSXFUPBSVUMFHI-UHFFFAOYSA-N 2 2 364.421 3.414 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191506270 496789171 /nfs/dbraw/zinc/78/91/71/496789171.db2.gz NSXFUPBSVUMFHI-UHFFFAOYSA-N 2 2 364.421 3.414 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365810244 498649953 /nfs/dbraw/zinc/64/99/53/498649953.db2.gz ABDRLJYDIIGHFR-INIZCTEOSA-N 2 2 373.413 3.488 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365810244 498649958 /nfs/dbraw/zinc/64/99/58/498649958.db2.gz ABDRLJYDIIGHFR-INIZCTEOSA-N 2 2 373.413 3.488 20 5 FGBDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000365819630 498653567 /nfs/dbraw/zinc/65/35/67/498653567.db2.gz JTTAVFJSGBCWEK-QFBILLFUSA-N 2 2 370.409 3.286 20 5 FGBDLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000365819630 498653574 /nfs/dbraw/zinc/65/35/74/498653574.db2.gz JTTAVFJSGBCWEK-QFBILLFUSA-N 2 2 370.409 3.286 20 5 FGBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600235 498752367 /nfs/dbraw/zinc/75/23/67/498752367.db2.gz GPCLIDPGYVBQDM-YJBOKZPZSA-N 2 2 355.438 3.356 20 5 FGBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600235 498752372 /nfs/dbraw/zinc/75/23/72/498752372.db2.gz GPCLIDPGYVBQDM-YJBOKZPZSA-N 2 2 355.438 3.356 20 5 FGBDLP C[NH+](C)CCOc1cnccc1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413296469 499938512 /nfs/dbraw/zinc/93/85/12/499938512.db2.gz HYJOQDCLBFQBLM-UHFFFAOYSA-N 2 2 367.409 3.091 20 5 FGBDLP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000430559594 500254139 /nfs/dbraw/zinc/25/41/39/500254139.db2.gz DRMVRZVXZAZYSY-LBPRGKRZSA-N 2 2 361.389 3.010 20 5 FGBDLP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000430559594 500254141 /nfs/dbraw/zinc/25/41/41/500254141.db2.gz DRMVRZVXZAZYSY-LBPRGKRZSA-N 2 2 361.389 3.010 20 5 FGBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000432346286 500502015 /nfs/dbraw/zinc/50/20/15/500502015.db2.gz KQJULGPRCNMQNK-INIZCTEOSA-N 2 2 373.453 3.445 20 5 FGBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000432346286 500502016 /nfs/dbraw/zinc/50/20/16/500502016.db2.gz KQJULGPRCNMQNK-INIZCTEOSA-N 2 2 373.453 3.445 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448025894 500709402 /nfs/dbraw/zinc/70/94/02/500709402.db2.gz GHGGLPWMHJVCNN-YOEHRIQHSA-N 2 2 362.474 3.022 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448025894 500709403 /nfs/dbraw/zinc/70/94/03/500709403.db2.gz GHGGLPWMHJVCNN-YOEHRIQHSA-N 2 2 362.474 3.022 20 5 FGBDLP Cn1c(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[nH+]c2ccccc21 ZINC000602591512 506225489 /nfs/dbraw/zinc/22/54/89/506225489.db2.gz BCFMGNZEKMPPBA-UHFFFAOYSA-N 2 2 365.393 3.345 20 5 FGBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433119 500975383 /nfs/dbraw/zinc/97/53/83/500975383.db2.gz QCNQUOWZJBJZNW-INIZCTEOSA-N 2 2 358.467 3.196 20 5 FGBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433119 500975384 /nfs/dbraw/zinc/97/53/84/500975384.db2.gz QCNQUOWZJBJZNW-INIZCTEOSA-N 2 2 358.467 3.196 20 5 FGBDLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496231 501017837 /nfs/dbraw/zinc/01/78/37/501017837.db2.gz GFUGVYRJKKTJHD-OAHLLOKOSA-N 2 2 360.483 3.493 20 5 FGBDLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496231 501017842 /nfs/dbraw/zinc/01/78/42/501017842.db2.gz GFUGVYRJKKTJHD-OAHLLOKOSA-N 2 2 360.483 3.493 20 5 FGBDLP Cc1ncsc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CC[NH2+]C1 ZINC000435735084 501020121 /nfs/dbraw/zinc/02/01/21/501020121.db2.gz JIQVLHYPDGNBJL-OAHLLOKOSA-N 2 2 360.483 3.280 20 5 FGBDLP Cc1ncsc1C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CC[NH2+]C1 ZINC000435735084 501020123 /nfs/dbraw/zinc/02/01/23/501020123.db2.gz JIQVLHYPDGNBJL-OAHLLOKOSA-N 2 2 360.483 3.280 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030743 501240535 /nfs/dbraw/zinc/24/05/35/501240535.db2.gz UOYOCDPNGFZAQC-CABCVRRESA-N 2 2 356.426 3.270 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030743 501240536 /nfs/dbraw/zinc/24/05/36/501240536.db2.gz UOYOCDPNGFZAQC-CABCVRRESA-N 2 2 356.426 3.270 20 5 FGBDLP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000599057916 506299927 /nfs/dbraw/zinc/29/99/27/506299927.db2.gz CQHZYZCAAMJFSC-QGZVFWFLSA-N 2 2 370.453 3.224 20 5 FGBDLP CCC(CC)[C@H](CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000552234811 505435855 /nfs/dbraw/zinc/43/58/55/505435855.db2.gz LRQGHADBHLPYTG-OALUTQOASA-N 2 2 373.501 3.374 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000593735011 506753564 /nfs/dbraw/zinc/75/35/64/506753564.db2.gz UDAOTNQYOVLMAB-YPMHNXCESA-N 2 2 373.400 3.154 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000593735011 506753570 /nfs/dbraw/zinc/75/35/70/506753570.db2.gz UDAOTNQYOVLMAB-YPMHNXCESA-N 2 2 373.400 3.154 20 5 FGBDLP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000595103573 507393665 /nfs/dbraw/zinc/39/36/65/507393665.db2.gz OMISSVCIVKWNMU-VQIMIIECSA-N 2 2 359.470 3.160 20 5 FGBDLP Cn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268132 507591984 /nfs/dbraw/zinc/59/19/84/507591984.db2.gz QNQBACKXKBJPBP-GOSISDBHSA-N 2 2 366.425 3.029 20 5 FGBDLP Cn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268132 507591991 /nfs/dbraw/zinc/59/19/91/507591991.db2.gz QNQBACKXKBJPBP-GOSISDBHSA-N 2 2 366.425 3.029 20 5 FGBDLP CCOc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000570795878 505583023 /nfs/dbraw/zinc/58/30/23/505583023.db2.gz NNBMGFXOSWCNKE-UHFFFAOYSA-N 2 2 356.426 3.465 20 5 FGBDLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092071428 494778169 /nfs/dbraw/zinc/77/81/69/494778169.db2.gz ZRCPRZKWDRTKLQ-OAHLLOKOSA-N 2 2 366.425 3.098 20 5 FGBDLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092071428 494778173 /nfs/dbraw/zinc/77/81/73/494778173.db2.gz ZRCPRZKWDRTKLQ-OAHLLOKOSA-N 2 2 366.425 3.098 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073894 494780915 /nfs/dbraw/zinc/78/09/15/494780915.db2.gz MITGFYFXLKAZDR-LLVKDONJSA-N 2 2 352.341 3.299 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073894 494780922 /nfs/dbraw/zinc/78/09/22/494780922.db2.gz MITGFYFXLKAZDR-LLVKDONJSA-N 2 2 352.341 3.299 20 5 FGBDLP C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000163340549 496502137 /nfs/dbraw/zinc/50/21/37/496502137.db2.gz ZPLQFMLISZEISK-LBPRGKRZSA-N 2 2 361.365 3.292 20 5 FGBDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278976034 497288867 /nfs/dbraw/zinc/28/88/67/497288867.db2.gz OEMPIXZMYJLGDG-BJZITVGISA-N 2 2 356.426 3.216 20 5 FGBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255873952 497375594 /nfs/dbraw/zinc/37/55/94/497375594.db2.gz WFPKICBWJCLKFN-MFDDNUIFSA-N 2 2 372.513 3.098 20 5 FGBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255873956 497376188 /nfs/dbraw/zinc/37/61/88/497376188.db2.gz WFPKICBWJCLKFN-MMHDITDQSA-N 2 2 372.513 3.098 20 5 FGBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255873956 497376191 /nfs/dbraw/zinc/37/61/91/497376191.db2.gz WFPKICBWJCLKFN-MMHDITDQSA-N 2 2 372.513 3.098 20 5 FGBDLP Cn1cc([C@H]2[C@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000363176685 498687564 /nfs/dbraw/zinc/68/75/64/498687564.db2.gz LNIIAVCYMIBRRJ-DQHWKFJXSA-N 2 2 369.469 3.014 20 5 FGBDLP Cn1cc([C@H]2[C@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000363176685 498687568 /nfs/dbraw/zinc/68/75/68/498687568.db2.gz LNIIAVCYMIBRRJ-DQHWKFJXSA-N 2 2 369.469 3.014 20 5 FGBDLP O=[N+]([O-])c1cccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373488923 499472957 /nfs/dbraw/zinc/47/29/57/499472957.db2.gz IRZUIAYVYFCHNK-UHFFFAOYSA-N 2 2 357.376 3.490 20 5 FGBDLP COc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414867490 499839441 /nfs/dbraw/zinc/83/94/41/499839441.db2.gz OJHDKIWNUYVQSE-QGZVFWFLSA-N 2 2 371.437 3.024 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000413188394 499924366 /nfs/dbraw/zinc/92/43/66/499924366.db2.gz XHZREXQQHDUNAQ-UHFFFAOYSA-N 2 2 370.453 3.224 20 5 FGBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000427101897 500353753 /nfs/dbraw/zinc/35/37/53/500353753.db2.gz DBTGVGCNIRMMDP-DYVFJYSZSA-N 2 2 357.410 3.047 20 5 FGBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000427101897 500353755 /nfs/dbraw/zinc/35/37/55/500353755.db2.gz DBTGVGCNIRMMDP-DYVFJYSZSA-N 2 2 357.410 3.047 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030745 501240679 /nfs/dbraw/zinc/24/06/79/501240679.db2.gz UOYOCDPNGFZAQC-GJZGRUSLSA-N 2 2 356.426 3.270 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030745 501240680 /nfs/dbraw/zinc/24/06/80/501240680.db2.gz UOYOCDPNGFZAQC-GJZGRUSLSA-N 2 2 356.426 3.270 20 5 FGBDLP CCC1([NH+](C)C)CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602738981 506280685 /nfs/dbraw/zinc/28/06/85/506280685.db2.gz NOZROTGZTIFMRD-UHFFFAOYSA-N 2 2 371.485 3.302 20 5 FGBDLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136649 502580060 /nfs/dbraw/zinc/58/00/60/502580060.db2.gz VSURXHLCMKJNGF-SFTDATJTSA-N 2 2 369.465 3.273 20 5 FGBDLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136649 502580067 /nfs/dbraw/zinc/58/00/67/502580067.db2.gz VSURXHLCMKJNGF-SFTDATJTSA-N 2 2 369.465 3.273 20 5 FGBDLP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160444 502589600 /nfs/dbraw/zinc/58/96/00/502589600.db2.gz HUQKOSQFYGWILI-DYESRHJHSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160444 502589602 /nfs/dbraw/zinc/58/96/02/502589602.db2.gz HUQKOSQFYGWILI-DYESRHJHSA-N 2 2 369.465 3.191 20 5 FGBDLP CCN1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000480703382 502648070 /nfs/dbraw/zinc/64/80/70/502648070.db2.gz ZBQBHZFQYAVSJT-SFHVURJKSA-N 2 2 366.425 3.058 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000515308589 503311606 /nfs/dbraw/zinc/31/16/06/503311606.db2.gz RUXMATIGUYHNJZ-LLVKDONJSA-N 2 2 354.332 3.337 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000515308589 503311609 /nfs/dbraw/zinc/31/16/09/503311609.db2.gz RUXMATIGUYHNJZ-LLVKDONJSA-N 2 2 354.332 3.337 20 5 FGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421581 504127887 /nfs/dbraw/zinc/12/78/87/504127887.db2.gz LOQTUHLHNMDPPP-HOTGVXAUSA-N 2 2 374.485 3.084 20 5 FGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421581 504127890 /nfs/dbraw/zinc/12/78/90/504127890.db2.gz LOQTUHLHNMDPPP-HOTGVXAUSA-N 2 2 374.485 3.084 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556893743 505008728 /nfs/dbraw/zinc/00/87/28/505008728.db2.gz XNNFBKSMVMUXOK-GOSISDBHSA-N 2 2 371.485 3.129 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157783 506797962 /nfs/dbraw/zinc/79/79/62/506797962.db2.gz WXGIPMSGGVVNKN-BBRMVZONSA-N 2 2 368.397 3.239 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157783 506797967 /nfs/dbraw/zinc/79/79/67/506797967.db2.gz WXGIPMSGGVVNKN-BBRMVZONSA-N 2 2 368.397 3.239 20 5 FGBDLP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000595103565 507393133 /nfs/dbraw/zinc/39/31/33/507393133.db2.gz OMISSVCIVKWNMU-LPHOPBHVSA-N 2 2 359.470 3.160 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000602515752 507733536 /nfs/dbraw/zinc/73/35/36/507733536.db2.gz DFLZTBZKSUECKW-NXEZZACHSA-N 2 2 360.277 3.135 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000602515752 507733531 /nfs/dbraw/zinc/73/35/31/507733531.db2.gz DFLZTBZKSUECKW-NXEZZACHSA-N 2 2 360.277 3.135 20 5 FGBDLP C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696336 495683552 /nfs/dbraw/zinc/68/35/52/495683552.db2.gz ICDQYBPEKTVMFC-UONOGXRCSA-N 2 2 358.442 3.479 20 5 FGBDLP C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696336 495683559 /nfs/dbraw/zinc/68/35/59/495683559.db2.gz ICDQYBPEKTVMFC-UONOGXRCSA-N 2 2 358.442 3.479 20 5 FGBDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000173787782 495692814 /nfs/dbraw/zinc/69/28/14/495692814.db2.gz MSEBZYHWEJZROW-LSDHHAIUSA-N 2 2 373.457 3.370 20 5 FGBDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000173787782 495692818 /nfs/dbraw/zinc/69/28/18/495692818.db2.gz MSEBZYHWEJZROW-LSDHHAIUSA-N 2 2 373.457 3.370 20 5 FGBDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000269940963 497027812 /nfs/dbraw/zinc/02/78/12/497027812.db2.gz FIZYIBYRRILXQF-UHFFFAOYSA-N 2 2 351.410 3.031 20 5 FGBDLP Cc1cc(N2CCC([NH2+]C3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270109326 497059696 /nfs/dbraw/zinc/05/96/96/497059696.db2.gz DCRVSVGMVOIEIF-UHFFFAOYSA-N 2 2 353.426 3.081 20 5 FGBDLP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000271236143 497298729 /nfs/dbraw/zinc/29/87/29/497298729.db2.gz WPFNGKJKIKBXAB-FNORWQNLSA-N 2 2 372.513 3.098 20 5 FGBDLP CC(C)[NH+]1CCC([NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000271236143 497298735 /nfs/dbraw/zinc/29/87/35/497298735.db2.gz WPFNGKJKIKBXAB-FNORWQNLSA-N 2 2 372.513 3.098 20 5 FGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746175 497525774 /nfs/dbraw/zinc/52/57/74/497525774.db2.gz AFDZSGDWMCWCAB-KBXCAEBGSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746175 497525779 /nfs/dbraw/zinc/52/57/79/497525779.db2.gz AFDZSGDWMCWCAB-KBXCAEBGSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746175 497525783 /nfs/dbraw/zinc/52/57/83/497525783.db2.gz AFDZSGDWMCWCAB-KBXCAEBGSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746175 497525788 /nfs/dbraw/zinc/52/57/88/497525788.db2.gz AFDZSGDWMCWCAB-KBXCAEBGSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749958 497527994 /nfs/dbraw/zinc/52/79/94/497527994.db2.gz NQFBODOTRPXOAE-SWLSCSKDSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749958 497527996 /nfs/dbraw/zinc/52/79/96/497527996.db2.gz NQFBODOTRPXOAE-SWLSCSKDSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749958 497528001 /nfs/dbraw/zinc/52/80/01/497528001.db2.gz NQFBODOTRPXOAE-SWLSCSKDSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749958 497528006 /nfs/dbraw/zinc/52/80/06/497528006.db2.gz NQFBODOTRPXOAE-SWLSCSKDSA-N 2 2 357.401 3.358 20 5 FGBDLP CC(C)[NH+](CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272565442 497665562 /nfs/dbraw/zinc/66/55/62/497665562.db2.gz UWXCGIFEVDLJRQ-SFHVURJKSA-N 2 2 359.474 3.126 20 5 FGBDLP O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000284918896 497941850 /nfs/dbraw/zinc/94/18/50/497941850.db2.gz VQQWJVXXFCJMBM-UHFFFAOYSA-N 2 2 365.231 3.002 20 5 FGBDLP O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000284918896 497941848 /nfs/dbraw/zinc/94/18/48/497941848.db2.gz VQQWJVXXFCJMBM-UHFFFAOYSA-N 2 2 365.231 3.002 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366878343 499104159 /nfs/dbraw/zinc/10/41/59/499104159.db2.gz JDYDUOWODDDLIX-UHFFFAOYSA-N 2 2 355.385 3.303 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000414894148 499842377 /nfs/dbraw/zinc/84/23/77/499842377.db2.gz YYQVIQOZNFNIJS-RXAWACCASA-N 2 2 367.449 3.352 20 5 FGBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000415018342 499855284 /nfs/dbraw/zinc/85/52/84/499855284.db2.gz QTKFWNDNTCPDOJ-UWVGGRQHSA-N 2 2 368.231 3.443 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000413203132 499926350 /nfs/dbraw/zinc/92/63/50/499926350.db2.gz NKTZRSZVPFETRU-SFHVURJKSA-N 2 2 370.453 3.224 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423340769 500365491 /nfs/dbraw/zinc/36/54/91/500365491.db2.gz TXZBVXRYQVNQQJ-VOBQZIQPSA-N 2 2 355.438 3.400 20 5 FGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423496890 500379555 /nfs/dbraw/zinc/37/95/55/500379555.db2.gz FSQVOFYRNSXFMT-AUUYWEPGSA-N 2 2 370.453 3.164 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020092 500556437 /nfs/dbraw/zinc/55/64/37/500556437.db2.gz YWKKZJDJMUYHHI-QGZVFWFLSA-N 2 2 360.502 3.148 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020092 500556438 /nfs/dbraw/zinc/55/64/38/500556438.db2.gz YWKKZJDJMUYHHI-QGZVFWFLSA-N 2 2 360.502 3.148 20 5 FGBDLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447511989 500614483 /nfs/dbraw/zinc/61/44/83/500614483.db2.gz WICNRARMVVZDTI-OTWHNJEPSA-N 2 2 371.485 3.038 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602663676 506252280 /nfs/dbraw/zinc/25/22/80/506252280.db2.gz BKJBTJMFKZRISS-SECBINFHSA-N 2 2 371.260 3.142 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602663676 506252288 /nfs/dbraw/zinc/25/22/88/506252288.db2.gz BKJBTJMFKZRISS-SECBINFHSA-N 2 2 371.260 3.142 20 5 FGBDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000467837155 501887848 /nfs/dbraw/zinc/88/78/48/501887848.db2.gz XZVXREWSHYWPST-INIZCTEOSA-N 2 2 355.438 3.278 20 5 FGBDLP O=[N+]([O-])c1c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc2c[nH+]ccc21 ZINC000599053946 506296847 /nfs/dbraw/zinc/29/68/47/506296847.db2.gz BLFFWJRBYYLAMO-MOPGFXCFSA-N 2 2 370.453 3.323 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)n1 ZINC000472615110 502401242 /nfs/dbraw/zinc/40/12/42/502401242.db2.gz ZBRZCIOIZNVYLL-FUHWJXTLSA-N 2 2 366.425 3.251 20 5 FGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421582 504127794 /nfs/dbraw/zinc/12/77/94/504127794.db2.gz LOQTUHLHNMDPPP-HZPDHXFCSA-N 2 2 374.485 3.084 20 5 FGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421582 504127798 /nfs/dbraw/zinc/12/77/98/504127798.db2.gz LOQTUHLHNMDPPP-HZPDHXFCSA-N 2 2 374.485 3.084 20 5 FGBDLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC000582755484 506400162 /nfs/dbraw/zinc/40/01/62/506400162.db2.gz XKTLBYXALBHFSA-UHFFFAOYSA-N 2 2 357.410 3.350 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)o2)cc1 ZINC000594992920 507345333 /nfs/dbraw/zinc/34/53/33/507345333.db2.gz LHSBZECVBLKGAC-SFHVURJKSA-N 2 2 371.437 3.198 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000595013243 507353324 /nfs/dbraw/zinc/35/33/24/507353324.db2.gz PFDVXFTVDVERPG-CQSZACIVSA-N 2 2 354.410 3.453 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595078721 507382722 /nfs/dbraw/zinc/38/27/22/507382722.db2.gz AJGRLIYDGNEQPJ-RDJZCZTQSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595078721 507382724 /nfs/dbraw/zinc/38/27/24/507382724.db2.gz AJGRLIYDGNEQPJ-RDJZCZTQSA-N 2 2 374.485 3.309 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073893 494779904 /nfs/dbraw/zinc/77/99/04/494779904.db2.gz MITGFYFXLKAZDR-NSHDSACASA-N 2 2 352.341 3.299 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073893 494779908 /nfs/dbraw/zinc/77/99/08/494779908.db2.gz MITGFYFXLKAZDR-NSHDSACASA-N 2 2 352.341 3.299 20 5 FGBDLP C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253390 494822479 /nfs/dbraw/zinc/82/24/79/494822479.db2.gz JSTHTKBHJPFFRB-CQSZACIVSA-N 2 2 360.483 3.492 20 5 FGBDLP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253390 494822484 /nfs/dbraw/zinc/82/24/84/494822484.db2.gz JSTHTKBHJPFFRB-CQSZACIVSA-N 2 2 360.483 3.492 20 5 FGBDLP C[NH+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253390 494822490 /nfs/dbraw/zinc/82/24/90/494822490.db2.gz JSTHTKBHJPFFRB-CQSZACIVSA-N 2 2 360.483 3.492 20 5 FGBDLP C[NH+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253390 494822491 /nfs/dbraw/zinc/82/24/91/494822491.db2.gz JSTHTKBHJPFFRB-CQSZACIVSA-N 2 2 360.483 3.492 20 5 FGBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123289114 495108850 /nfs/dbraw/zinc/10/88/50/495108850.db2.gz MIKVILIZOSCURG-JXFKEZNVSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123289114 495108852 /nfs/dbraw/zinc/10/88/52/495108852.db2.gz MIKVILIZOSCURG-JXFKEZNVSA-N 2 2 354.454 3.033 20 5 FGBDLP CCC[NH+]1CCC(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000124455523 495289944 /nfs/dbraw/zinc/28/99/44/495289944.db2.gz FUVXHXARNXQJCF-FNORWQNLSA-N 2 2 372.513 3.100 20 5 FGBDLP CCC[NH+]1CCC([NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000124455523 495289947 /nfs/dbraw/zinc/28/99/47/495289947.db2.gz FUVXHXARNXQJCF-FNORWQNLSA-N 2 2 372.513 3.100 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000182721159 495676163 /nfs/dbraw/zinc/67/61/63/495676163.db2.gz NCIDZMTUIYZJNF-FHWLQOOXSA-N 2 2 374.529 3.455 20 5 FGBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655791 496048045 /nfs/dbraw/zinc/04/80/45/496048045.db2.gz HUFLQXRVPQMARC-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655791 496048049 /nfs/dbraw/zinc/04/80/49/496048049.db2.gz HUFLQXRVPQMARC-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000152880722 496284272 /nfs/dbraw/zinc/28/42/72/496284272.db2.gz WDMNCHOSRZYXCJ-INIZCTEOSA-N 2 2 354.454 3.348 20 5 FGBDLP C[NH+]1CCC(CNc2ncc(Cl)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000153851356 496601445 /nfs/dbraw/zinc/60/14/45/496601445.db2.gz QZCWZSJPEJTVRJ-UHFFFAOYSA-N 2 2 367.881 3.005 20 5 FGBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000247012415 496751712 /nfs/dbraw/zinc/75/17/12/496751712.db2.gz MIKVILIZOSCURG-OXQOHEQNSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000247012415 496751713 /nfs/dbraw/zinc/75/17/13/496751713.db2.gz MIKVILIZOSCURG-OXQOHEQNSA-N 2 2 354.454 3.033 20 5 FGBDLP Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000269164466 496884901 /nfs/dbraw/zinc/88/49/01/496884901.db2.gz WHQGBGQHHCASRU-UHFFFAOYSA-N 2 2 369.469 3.441 20 5 FGBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282157594 498404983 /nfs/dbraw/zinc/40/49/83/498404983.db2.gz TZACIOLMKYCFEW-VQIMIIECSA-N 2 2 370.453 3.041 20 5 FGBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282157594 498404991 /nfs/dbraw/zinc/40/49/91/498404991.db2.gz TZACIOLMKYCFEW-VQIMIIECSA-N 2 2 370.453 3.041 20 5 FGBDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000377964173 499751594 /nfs/dbraw/zinc/75/15/94/499751594.db2.gz VAJMOFYZILAMIP-MRXNPFEDSA-N 2 2 354.454 3.348 20 5 FGBDLP CC[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000414973161 499850244 /nfs/dbraw/zinc/85/02/44/499850244.db2.gz BVWYRZPIEKHGJG-INIZCTEOSA-N 2 2 359.426 3.009 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000425412543 500096955 /nfs/dbraw/zinc/09/69/55/500096955.db2.gz BQOXHGHUKBXYFY-UHFFFAOYSA-N 2 2 365.231 3.460 20 5 FGBDLP COc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422744745 500292830 /nfs/dbraw/zinc/29/28/30/500292830.db2.gz UCRFMDYSSOOCFO-WOJBJXKFSA-N 2 2 355.438 3.229 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000447545637 500621648 /nfs/dbraw/zinc/62/16/48/500621648.db2.gz SBEPNJCPYUJQKW-KZNAEPCWSA-N 2 2 361.490 3.129 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000447545637 500621649 /nfs/dbraw/zinc/62/16/49/500621649.db2.gz SBEPNJCPYUJQKW-KZNAEPCWSA-N 2 2 361.490 3.129 20 5 FGBDLP Cc1ncsc1C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H]1CC[NH2+]C1 ZINC000435443877 500978832 /nfs/dbraw/zinc/97/88/32/500978832.db2.gz SYUYQJZQXVBBBE-MRXNPFEDSA-N 2 2 360.483 3.280 20 5 FGBDLP Cc1ncsc1C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H]1CC[NH2+]C1 ZINC000435443877 500978834 /nfs/dbraw/zinc/97/88/34/500978834.db2.gz SYUYQJZQXVBBBE-MRXNPFEDSA-N 2 2 360.483 3.280 20 5 FGBDLP CC(C)[NH+](CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000450015963 501154743 /nfs/dbraw/zinc/15/47/43/501154743.db2.gz INMHLACMLSVLJQ-UHFFFAOYSA-N 2 2 373.457 3.019 20 5 FGBDLP Cc1[nH+]ccn1CCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000446872797 501176301 /nfs/dbraw/zinc/17/63/01/501176301.db2.gz VBLUTPMFSQWZJK-UHFFFAOYSA-N 2 2 366.425 3.392 20 5 FGBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459478388 501660388 /nfs/dbraw/zinc/66/03/88/501660388.db2.gz IEFOLJRDKHFHHT-UHFFFAOYSA-N 2 2 364.405 3.171 20 5 FGBDLP Cc1cc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000506123703 503052337 /nfs/dbraw/zinc/05/23/37/503052337.db2.gz CEQLHFYTXFZNFB-UHFFFAOYSA-N 2 2 369.469 3.447 20 5 FGBDLP Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543031717 504698000 /nfs/dbraw/zinc/69/80/00/504698000.db2.gz RBSDOVFHHBNXQL-UHFFFAOYSA-N 2 2 365.315 3.244 20 5 FGBDLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000597248129 506858070 /nfs/dbraw/zinc/85/80/70/506858070.db2.gz MRFNMFXIJJBRAY-INIZCTEOSA-N 2 2 373.453 3.397 20 5 FGBDLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000597248129 506858071 /nfs/dbraw/zinc/85/80/71/506858071.db2.gz MRFNMFXIJJBRAY-INIZCTEOSA-N 2 2 373.453 3.397 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000595013668 507354493 /nfs/dbraw/zinc/35/44/93/507354493.db2.gz RAAFANLDXOMDRW-OAHLLOKOSA-N 2 2 370.453 3.314 20 5 FGBDLP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000595103562 507393463 /nfs/dbraw/zinc/39/34/63/507393463.db2.gz OMISSVCIVKWNMU-APWZRJJASA-N 2 2 359.470 3.160 20 5 FGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCC2 ZINC000595105930 507395428 /nfs/dbraw/zinc/39/54/28/507395428.db2.gz UTRMZYOVWCBEEY-AZUAARDMSA-N 2 2 359.470 3.205 20 5 FGBDLP COc1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1[N+](=O)[O-] ZINC000614741412 507641043 /nfs/dbraw/zinc/64/10/43/507641043.db2.gz ZFQJGPOOZFADJA-OAHLLOKOSA-N 2 2 356.426 3.126 20 5 FGBDLP COc1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1[N+](=O)[O-] ZINC000614741412 507641048 /nfs/dbraw/zinc/64/10/48/507641048.db2.gz ZFQJGPOOZFADJA-OAHLLOKOSA-N 2 2 356.426 3.126 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740625 507641092 /nfs/dbraw/zinc/64/10/92/507641092.db2.gz HFPIPIGFPDQHLR-INIZCTEOSA-N 2 2 356.426 3.126 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740625 507641093 /nfs/dbraw/zinc/64/10/93/507641093.db2.gz HFPIPIGFPDQHLR-INIZCTEOSA-N 2 2 356.426 3.126 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000162209195 705291452 /nfs/dbraw/zinc/29/14/52/705291452.db2.gz XNJLWGQXCWTOPY-UONOGXRCSA-N 2 2 354.248 3.074 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000162209195 705291453 /nfs/dbraw/zinc/29/14/53/705291453.db2.gz XNJLWGQXCWTOPY-UONOGXRCSA-N 2 2 354.248 3.074 20 5 FGBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000746631778 722611447 /nfs/dbraw/zinc/61/14/47/722611447.db2.gz PNKJINVADKCFBG-UHFFFAOYSA-N 2 2 361.427 3.357 20 5 FGBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000746631778 722611448 /nfs/dbraw/zinc/61/14/48/722611448.db2.gz PNKJINVADKCFBG-UHFFFAOYSA-N 2 2 361.427 3.357 20 5 FGBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844666 505633765 /nfs/dbraw/zinc/63/37/65/505633765.db2.gz BOIDBNHHWHTXOO-CXAGYDPISA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844666 505633766 /nfs/dbraw/zinc/63/37/66/505633766.db2.gz BOIDBNHHWHTXOO-CXAGYDPISA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844666 505633768 /nfs/dbraw/zinc/63/37/68/505633768.db2.gz BOIDBNHHWHTXOO-CXAGYDPISA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844666 505633769 /nfs/dbraw/zinc/63/37/69/505633769.db2.gz BOIDBNHHWHTXOO-CXAGYDPISA-N 2 2 360.483 3.490 20 5 FGBDLP C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2Cl)([NH+]2CCCCC2)CC1 ZINC000078457518 494299494 /nfs/dbraw/zinc/29/94/94/494299494.db2.gz GQRRTTRBLFSQOU-UHFFFAOYSA-N 2 2 367.881 3.005 20 5 FGBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Br ZINC000092648517 494692764 /nfs/dbraw/zinc/69/27/64/494692764.db2.gz WPTRHIJVVJPAAN-UHFFFAOYSA-N 2 2 365.231 3.391 20 5 FGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639759 494906293 /nfs/dbraw/zinc/90/62/93/494906293.db2.gz NQFBODOTRPXOAE-DOMZBBRYSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639759 494906296 /nfs/dbraw/zinc/90/62/96/494906296.db2.gz NQFBODOTRPXOAE-DOMZBBRYSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639759 494906298 /nfs/dbraw/zinc/90/62/98/494906298.db2.gz NQFBODOTRPXOAE-DOMZBBRYSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639759 494906302 /nfs/dbraw/zinc/90/63/02/494906302.db2.gz NQFBODOTRPXOAE-DOMZBBRYSA-N 2 2 357.401 3.358 20 5 FGBDLP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000154541919 495648800 /nfs/dbraw/zinc/64/88/00/495648800.db2.gz QQAWLIDUQKNBCB-NRFANRHFSA-N 2 2 369.465 3.225 20 5 FGBDLP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000154541919 495648801 /nfs/dbraw/zinc/64/88/01/495648801.db2.gz QQAWLIDUQKNBCB-NRFANRHFSA-N 2 2 369.465 3.225 20 5 FGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151229352 495777601 /nfs/dbraw/zinc/77/76/01/495777601.db2.gz IBURNRJFYFWPKB-UHFFFAOYSA-N 2 2 356.426 3.099 20 5 FGBDLP Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821809 498280508 /nfs/dbraw/zinc/28/05/08/498280508.db2.gz KILQEHNWQPEGCH-RHSMWYFYSA-N 2 2 355.442 3.279 20 5 FGBDLP Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821809 498280514 /nfs/dbraw/zinc/28/05/14/498280514.db2.gz KILQEHNWQPEGCH-RHSMWYFYSA-N 2 2 355.442 3.279 20 5 FGBDLP Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301850995 498293597 /nfs/dbraw/zinc/29/35/97/498293597.db2.gz PGRRCLMOQVUNKT-CYBMUJFWSA-N 2 2 352.398 3.305 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000365762450 498629394 /nfs/dbraw/zinc/62/93/94/498629394.db2.gz BGPPIXGYTMPXAD-UHFFFAOYSA-N 2 2 356.426 3.099 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000365762450 498629403 /nfs/dbraw/zinc/62/94/03/498629403.db2.gz BGPPIXGYTMPXAD-UHFFFAOYSA-N 2 2 356.426 3.099 20 5 FGBDLP COc1ccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406047643 499572021 /nfs/dbraw/zinc/57/20/21/499572021.db2.gz WNZRLYOVPVVRKT-FQEVSTJZSA-N 2 2 355.438 3.358 20 5 FGBDLP COc1ccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406047643 499572022 /nfs/dbraw/zinc/57/20/22/499572022.db2.gz WNZRLYOVPVVRKT-FQEVSTJZSA-N 2 2 355.438 3.358 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000376045381 499578566 /nfs/dbraw/zinc/57/85/66/499578566.db2.gz WEUHRNAZGPJENU-LBPRGKRZSA-N 2 2 366.368 3.309 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000376045381 499578567 /nfs/dbraw/zinc/57/85/67/499578567.db2.gz WEUHRNAZGPJENU-LBPRGKRZSA-N 2 2 366.368 3.309 20 5 FGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414886098 499841477 /nfs/dbraw/zinc/84/14/77/499841477.db2.gz CHCHBBTWEAMZNY-BWTKPXILSA-N 2 2 355.413 3.482 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000425415735 500098603 /nfs/dbraw/zinc/09/86/03/500098603.db2.gz KEOCPIALQXJCLZ-UHFFFAOYSA-N 2 2 365.231 3.460 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423272686 500360609 /nfs/dbraw/zinc/36/06/09/500360609.db2.gz IGUTYZLZAXWIDT-IBGZPJMESA-N 2 2 371.485 3.320 20 5 FGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423496891 500379485 /nfs/dbraw/zinc/37/94/85/500379485.db2.gz FSQVOFYRNSXFMT-IFXJQAMLSA-N 2 2 370.453 3.164 20 5 FGBDLP Cc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420253457 500429072 /nfs/dbraw/zinc/42/90/72/500429072.db2.gz DPKDYKSHWQGVBC-QGZVFWFLSA-N 2 2 367.453 3.186 20 5 FGBDLP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000420368344 500449533 /nfs/dbraw/zinc/44/95/33/500449533.db2.gz WNPKFTNHEHYWGX-CYBMUJFWSA-N 2 2 373.400 3.202 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000451103577 501246045 /nfs/dbraw/zinc/24/60/45/501246045.db2.gz HYNXJCMKUSRNCB-MAUKXSAKSA-N 2 2 368.437 3.273 20 5 FGBDLP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000565855071 505007181 /nfs/dbraw/zinc/00/71/81/505007181.db2.gz GWJJOXDMDWDRMO-UHFFFAOYSA-N 2 2 365.437 3.272 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563920054 505276450 /nfs/dbraw/zinc/27/64/50/505276450.db2.gz TWOLLHFJKYPCAA-UHFFFAOYSA-N 2 2 364.405 3.484 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563920054 505276452 /nfs/dbraw/zinc/27/64/52/505276452.db2.gz TWOLLHFJKYPCAA-UHFFFAOYSA-N 2 2 364.405 3.484 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000595013196 507354158 /nfs/dbraw/zinc/35/41/58/507354158.db2.gz PFDVXFTVDVERPG-AWEZNQCLSA-N 2 2 354.410 3.453 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000102425387 495136368 /nfs/dbraw/zinc/13/63/68/495136368.db2.gz BGQCCAPRKGOJHY-CQSZACIVSA-N 2 2 370.409 3.486 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000129549266 495260448 /nfs/dbraw/zinc/26/04/48/495260448.db2.gz FLEOTAPVTISJJW-JCKWVBRZSA-N 2 2 371.441 3.010 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000129549266 495260451 /nfs/dbraw/zinc/26/04/51/495260451.db2.gz FLEOTAPVTISJJW-JCKWVBRZSA-N 2 2 371.441 3.010 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cs2)c1 ZINC000113320909 495297087 /nfs/dbraw/zinc/29/70/87/495297087.db2.gz JSRSLUKTVWMNOM-CYBMUJFWSA-N 2 2 358.467 3.292 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cs2)c1 ZINC000113320909 495297089 /nfs/dbraw/zinc/29/70/89/495297089.db2.gz JSRSLUKTVWMNOM-CYBMUJFWSA-N 2 2 358.467 3.292 20 5 FGBDLP COCC[NH+]1CCC([NH2+]Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000173640537 495628134 /nfs/dbraw/zinc/62/81/34/495628134.db2.gz BBCXJOXDRJYCEE-UHFFFAOYSA-N 2 2 366.461 3.147 20 5 FGBDLP C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696394 495683398 /nfs/dbraw/zinc/68/33/98/495683398.db2.gz ICDQYBPEKTVMFC-KGLIPLIRSA-N 2 2 358.442 3.479 20 5 FGBDLP C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696394 495683401 /nfs/dbraw/zinc/68/34/01/495683401.db2.gz ICDQYBPEKTVMFC-KGLIPLIRSA-N 2 2 358.442 3.479 20 5 FGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000571721646 505798087 /nfs/dbraw/zinc/79/80/87/505798087.db2.gz HGGFXAZHRRKKFH-GOSISDBHSA-N 2 2 368.437 3.243 20 5 FGBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000571721646 505798090 /nfs/dbraw/zinc/79/80/90/505798090.db2.gz HGGFXAZHRRKKFH-GOSISDBHSA-N 2 2 368.437 3.243 20 5 FGBDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173331528 496646020 /nfs/dbraw/zinc/64/60/20/496646020.db2.gz VNMMSTDODZYDFG-INIZCTEOSA-N 2 2 355.438 3.278 20 5 FGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000289439240 498147197 /nfs/dbraw/zinc/14/71/97/498147197.db2.gz SWOUEHQFGNSTNG-UHFFFAOYSA-N 2 2 368.393 3.483 20 5 FGBDLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414847532 499837363 /nfs/dbraw/zinc/83/73/63/499837363.db2.gz OWOAQKNZXCQDID-QGZVFWFLSA-N 2 2 371.437 3.024 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(CC[NH+]4CCOCC4)CC3)c2c1 ZINC000413096405 499913335 /nfs/dbraw/zinc/91/33/35/499913335.db2.gz BFLMKUOBFBBAQN-UHFFFAOYSA-N 2 2 370.453 3.082 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425966622 500217694 /nfs/dbraw/zinc/21/76/94/500217694.db2.gz LJIIBPAOHVEFBP-UTKZUKDTSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425966622 500217698 /nfs/dbraw/zinc/21/76/98/500217698.db2.gz LJIIBPAOHVEFBP-UTKZUKDTSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425966622 500217701 /nfs/dbraw/zinc/21/77/01/500217701.db2.gz LJIIBPAOHVEFBP-UTKZUKDTSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425966622 500217704 /nfs/dbraw/zinc/21/77/04/500217704.db2.gz LJIIBPAOHVEFBP-UTKZUKDTSA-N 2 2 369.465 3.225 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)o2)c([N+](=O)[O-])c1 ZINC000422559462 500274301 /nfs/dbraw/zinc/27/43/01/500274301.db2.gz DCEDSRGBLNEGRA-UHFFFAOYSA-N 2 2 357.410 3.191 20 5 FGBDLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423293190 500361955 /nfs/dbraw/zinc/36/19/55/500361955.db2.gz QFIGOVUTKNVFMM-KUHUBIRLSA-N 2 2 365.437 3.227 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423340766 500365676 /nfs/dbraw/zinc/36/56/76/500365676.db2.gz TXZBVXRYQVNQQJ-GKCIPKSASA-N 2 2 355.438 3.400 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3nccc4c3cccc4[N+](=O)[O-])CC2)CC1 ZINC000450295357 501227797 /nfs/dbraw/zinc/22/77/97/501227797.db2.gz XOCCJJUWXNINBV-UHFFFAOYSA-N 2 2 369.469 3.114 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475338704 502140591 /nfs/dbraw/zinc/14/05/91/502140591.db2.gz YEPZGKLDWWMQGI-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475338704 502140598 /nfs/dbraw/zinc/14/05/98/502140598.db2.gz YEPZGKLDWWMQGI-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475338704 502140603 /nfs/dbraw/zinc/14/06/03/502140603.db2.gz YEPZGKLDWWMQGI-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475338704 502140609 /nfs/dbraw/zinc/14/06/09/502140609.db2.gz YEPZGKLDWWMQGI-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108059 504041298 /nfs/dbraw/zinc/04/12/98/504041298.db2.gz LKOPMTCXHLXKRO-MRXNPFEDSA-N 2 2 370.453 3.414 20 5 FGBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108059 504041302 /nfs/dbraw/zinc/04/13/02/504041302.db2.gz LKOPMTCXHLXKRO-MRXNPFEDSA-N 2 2 370.453 3.414 20 5 FGBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108059 504041306 /nfs/dbraw/zinc/04/13/06/504041306.db2.gz LKOPMTCXHLXKRO-MRXNPFEDSA-N 2 2 370.453 3.414 20 5 FGBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108059 504041312 /nfs/dbraw/zinc/04/13/12/504041312.db2.gz LKOPMTCXHLXKRO-MRXNPFEDSA-N 2 2 370.453 3.414 20 5 FGBDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602526510 507737877 /nfs/dbraw/zinc/73/78/77/507737877.db2.gz KXWLDGNHJZISRD-JTQLQIEISA-N 2 2 362.293 3.240 20 5 FGBDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602526510 507737880 /nfs/dbraw/zinc/73/78/80/507737880.db2.gz KXWLDGNHJZISRD-JTQLQIEISA-N 2 2 362.293 3.240 20 5 FGBDLP C[NH+](C)Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)ccc1F ZINC000602546214 507745098 /nfs/dbraw/zinc/74/50/98/507745098.db2.gz HOWYRUXWOPMODT-UHFFFAOYSA-N 2 2 358.373 3.227 20 5 FGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872088843 735587045 /nfs/dbraw/zinc/58/70/45/735587045.db2.gz RNUFCPVVKBANDT-BBRMVZONSA-N 2 2 365.499 3.221 20 5 FGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)o1 ZINC000903954603 743904729 /nfs/dbraw/zinc/90/47/29/743904729.db2.gz GIBQYYHNGKMRMX-GFCCVEGCSA-N 2 2 351.353 3.189 20 5 FGBDLP C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000092253389 494822109 /nfs/dbraw/zinc/82/21/09/494822109.db2.gz JSTHTKBHJPFFRB-AWEZNQCLSA-N 2 2 360.483 3.492 20 5 FGBDLP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000092253389 494822114 /nfs/dbraw/zinc/82/21/14/494822114.db2.gz JSTHTKBHJPFFRB-AWEZNQCLSA-N 2 2 360.483 3.492 20 5 FGBDLP C[NH+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253389 494822117 /nfs/dbraw/zinc/82/21/17/494822117.db2.gz JSTHTKBHJPFFRB-AWEZNQCLSA-N 2 2 360.483 3.492 20 5 FGBDLP C[NH+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253389 494822121 /nfs/dbraw/zinc/82/21/21/494822121.db2.gz JSTHTKBHJPFFRB-AWEZNQCLSA-N 2 2 360.483 3.492 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156550736 496276155 /nfs/dbraw/zinc/27/61/55/496276155.db2.gz RCEADRFZMLARSF-MAUKXSAKSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156550736 496276158 /nfs/dbraw/zinc/27/61/58/496276158.db2.gz RCEADRFZMLARSF-MAUKXSAKSA-N 2 2 371.441 3.011 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179181098 496702891 /nfs/dbraw/zinc/70/28/91/496702891.db2.gz OZNZRDPKZMWGPD-BEFAXECRSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179181098 496702895 /nfs/dbraw/zinc/70/28/95/496702895.db2.gz OZNZRDPKZMWGPD-BEFAXECRSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179181098 496702898 /nfs/dbraw/zinc/70/28/98/496702898.db2.gz OZNZRDPKZMWGPD-BEFAXECRSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179181098 496702901 /nfs/dbraw/zinc/70/29/01/496702901.db2.gz OZNZRDPKZMWGPD-BEFAXECRSA-N 2 2 359.470 3.442 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356382 497086756 /nfs/dbraw/zinc/08/67/56/497086756.db2.gz FJHMKYVYMAMXTB-NRFANRHFSA-N 2 2 369.465 3.284 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356382 497086759 /nfs/dbraw/zinc/08/67/59/497086759.db2.gz FJHMKYVYMAMXTB-NRFANRHFSA-N 2 2 369.465 3.284 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192933296 497251295 /nfs/dbraw/zinc/25/12/95/497251295.db2.gz HBTTVEBYBCQBPE-INIZCTEOSA-N 2 2 370.409 3.115 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192933296 497251297 /nfs/dbraw/zinc/25/12/97/497251297.db2.gz HBTTVEBYBCQBPE-INIZCTEOSA-N 2 2 370.409 3.115 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000194495742 497686020 /nfs/dbraw/zinc/68/60/20/497686020.db2.gz DNCNDIPWEOBQCP-UHFFFAOYSA-N 2 2 362.430 3.390 20 5 FGBDLP Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833378 498285568 /nfs/dbraw/zinc/28/55/68/498285568.db2.gz SCEDEBRVUKMZCI-GUYCJALGSA-N 2 2 355.442 3.137 20 5 FGBDLP Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833378 498285574 /nfs/dbraw/zinc/28/55/74/498285574.db2.gz SCEDEBRVUKMZCI-GUYCJALGSA-N 2 2 355.442 3.137 20 5 FGBDLP CCOc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365190726 498343685 /nfs/dbraw/zinc/34/36/85/498343685.db2.gz IOMWSVWLIHSOER-OAHLLOKOSA-N 2 2 358.442 3.182 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781609 498552541 /nfs/dbraw/zinc/55/25/41/498552541.db2.gz OEUIBQYGZXYKLJ-ROUUACIJSA-N 2 2 358.442 3.285 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781609 498552546 /nfs/dbraw/zinc/55/25/46/498552546.db2.gz OEUIBQYGZXYKLJ-ROUUACIJSA-N 2 2 358.442 3.285 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000368135682 499268277 /nfs/dbraw/zinc/26/82/77/499268277.db2.gz RMXZHUAQGFYVLR-AWEZNQCLSA-N 2 2 369.450 3.441 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000368135682 499268278 /nfs/dbraw/zinc/26/82/78/499268278.db2.gz RMXZHUAQGFYVLR-AWEZNQCLSA-N 2 2 369.450 3.441 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000414894140 499842405 /nfs/dbraw/zinc/84/24/05/499842405.db2.gz YYQVIQOZNFNIJS-AHJVTXKRSA-N 2 2 367.449 3.352 20 5 FGBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414947168 499847471 /nfs/dbraw/zinc/84/74/71/499847471.db2.gz UTVYHGPYEXQRIZ-VIFPVBQESA-N 2 2 354.204 3.054 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414952765 499848146 /nfs/dbraw/zinc/84/81/46/499848146.db2.gz JAXWURSRUSUWES-QFBILLFUSA-N 2 2 361.392 3.417 20 5 FGBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414978405 499850893 /nfs/dbraw/zinc/85/08/93/499850893.db2.gz LPTPONAHLVGMND-SNVBAGLBSA-N 2 2 368.231 3.444 20 5 FGBDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425440908 500107624 /nfs/dbraw/zinc/10/76/24/500107624.db2.gz FGMCNRZIEJMVEG-UHFFFAOYSA-N 2 2 356.264 3.275 20 5 FGBDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425440908 500107627 /nfs/dbraw/zinc/10/76/27/500107627.db2.gz FGMCNRZIEJMVEG-UHFFFAOYSA-N 2 2 356.264 3.275 20 5 FGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423496893 500379081 /nfs/dbraw/zinc/37/90/81/500379081.db2.gz FSQVOFYRNSXFMT-LIRRHRJNSA-N 2 2 370.453 3.164 20 5 FGBDLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000447538982 500620398 /nfs/dbraw/zinc/62/03/98/500620398.db2.gz DWVYWMDOZGLAJM-QRVBRYPASA-N 2 2 371.485 3.476 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448025892 500708944 /nfs/dbraw/zinc/70/89/44/500708944.db2.gz GHGGLPWMHJVCNN-RHSMWYFYSA-N 2 2 362.474 3.022 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448025892 500708947 /nfs/dbraw/zinc/70/89/47/500708947.db2.gz GHGGLPWMHJVCNN-RHSMWYFYSA-N 2 2 362.474 3.022 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)cs1 ZINC000451015593 501239269 /nfs/dbraw/zinc/23/92/69/501239269.db2.gz FZOKRGYNKIHFLL-HNNXBMFYSA-N 2 2 374.466 3.305 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)cs1 ZINC000451015593 501239270 /nfs/dbraw/zinc/23/92/70/501239270.db2.gz FZOKRGYNKIHFLL-HNNXBMFYSA-N 2 2 374.466 3.305 20 5 FGBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153647 502586287 /nfs/dbraw/zinc/58/62/87/502586287.db2.gz BNBIPBXXKOAFBL-LDQXTDLNSA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153647 502586290 /nfs/dbraw/zinc/58/62/90/502586290.db2.gz BNBIPBXXKOAFBL-LDQXTDLNSA-N 2 2 369.465 3.128 20 5 FGBDLP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160450 502589054 /nfs/dbraw/zinc/58/90/54/502589054.db2.gz HUQKOSQFYGWILI-UWJYYQICSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160450 502589061 /nfs/dbraw/zinc/58/90/61/502589061.db2.gz HUQKOSQFYGWILI-UWJYYQICSA-N 2 2 369.465 3.191 20 5 FGBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549556632 504849116 /nfs/dbraw/zinc/84/91/16/504849116.db2.gz ZTKOCLHWHMFSLF-KXBFYZLASA-N 2 2 355.438 3.301 20 5 FGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549556632 504849118 /nfs/dbraw/zinc/84/91/18/504849118.db2.gz ZTKOCLHWHMFSLF-KXBFYZLASA-N 2 2 355.438 3.301 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000564666382 505486834 /nfs/dbraw/zinc/48/68/34/505486834.db2.gz GVGXVDCTKHYJFK-HOTGVXAUSA-N 2 2 362.474 3.022 20 5 FGBDLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000597248032 506858604 /nfs/dbraw/zinc/85/86/04/506858604.db2.gz JYZGDUBXAAGAMC-SFHVURJKSA-N 2 2 373.453 3.397 20 5 FGBDLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000597248032 506858612 /nfs/dbraw/zinc/85/86/12/506858612.db2.gz JYZGDUBXAAGAMC-SFHVURJKSA-N 2 2 373.453 3.397 20 5 FGBDLP C[NH+](C)CC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602439221 507710489 /nfs/dbraw/zinc/71/04/89/507710489.db2.gz ICJFPMADYCXSSV-UHFFFAOYSA-N 2 2 362.293 3.192 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000883295043 737548334 /nfs/dbraw/zinc/54/83/34/737548334.db2.gz UMKDMHVDIVINFU-UHFFFAOYSA-N 2 2 368.275 3.321 20 5 FGBDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163743964 496553792 /nfs/dbraw/zinc/55/37/92/496553792.db2.gz ZLNAYQHDIIIPAC-MRXNPFEDSA-N 2 2 355.438 3.278 20 5 FGBDLP Cc1cc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000193182363 497318577 /nfs/dbraw/zinc/31/85/77/497318577.db2.gz QHOLAXSFZHOZFY-UHFFFAOYSA-N 2 2 351.366 3.353 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)c1 ZINC000266779938 497418171 /nfs/dbraw/zinc/41/81/71/497418171.db2.gz UUCFYCWOOMCRSS-UHFFFAOYSA-N 2 2 367.409 3.395 20 5 FGBDLP CC(C)[NH+](CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272565439 497665625 /nfs/dbraw/zinc/66/56/25/497665625.db2.gz UWXCGIFEVDLJRQ-GOSISDBHSA-N 2 2 359.474 3.126 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991086 498225050 /nfs/dbraw/zinc/22/50/50/498225050.db2.gz NZWHVHPPDVRIQV-KUHUBIRLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991086 498225053 /nfs/dbraw/zinc/22/50/53/498225053.db2.gz NZWHVHPPDVRIQV-KUHUBIRLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292991086 498225057 /nfs/dbraw/zinc/22/50/57/498225057.db2.gz NZWHVHPPDVRIQV-KUHUBIRLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991086 498225061 /nfs/dbraw/zinc/22/50/61/498225061.db2.gz NZWHVHPPDVRIQV-KUHUBIRLSA-N 2 2 371.441 3.124 20 5 FGBDLP Cc1nc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000297034320 498296647 /nfs/dbraw/zinc/29/66/47/498296647.db2.gz HMZGBBIPAHAEFK-UHFFFAOYSA-N 2 2 370.457 3.215 20 5 FGBDLP Cc1cc(N(C)CC2([NH+](C)C)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302507583 498497115 /nfs/dbraw/zinc/49/71/15/498497115.db2.gz RBXCGJNATICMLH-UHFFFAOYSA-N 2 2 355.442 3.281 20 5 FGBDLP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414891443 499842028 /nfs/dbraw/zinc/84/20/28/499842028.db2.gz NZHYVXGCKVFJLK-QGZVFWFLSA-N 2 2 371.437 3.009 20 5 FGBDLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000433134406 500632882 /nfs/dbraw/zinc/63/28/82/500632882.db2.gz QWINABNMRUEDFE-SPYBWZPUSA-N 2 2 361.486 3.406 20 5 FGBDLP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000434747657 500888407 /nfs/dbraw/zinc/88/84/07/500888407.db2.gz PKIFADXHBNLUMA-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000434747657 500888409 /nfs/dbraw/zinc/88/84/09/500888409.db2.gz PKIFADXHBNLUMA-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000434747657 500888412 /nfs/dbraw/zinc/88/84/12/500888412.db2.gz PKIFADXHBNLUMA-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000449092000 500923084 /nfs/dbraw/zinc/92/30/84/500923084.db2.gz SHKOSGIEYWVKKH-KRWDZBQOSA-N 2 2 369.465 3.148 20 5 FGBDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847871 501889764 /nfs/dbraw/zinc/88/97/64/501889764.db2.gz AKYPFFIKQNJDSD-LRQRDZAKSA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847871 501889765 /nfs/dbraw/zinc/88/97/65/501889765.db2.gz AKYPFFIKQNJDSD-LRQRDZAKSA-N 2 2 369.465 3.128 20 5 FGBDLP O=[N+]([O-])c1c(NCC2([NH+]3CCCC3)CCOCC2)ccc2c[nH+]ccc21 ZINC000599039279 506288919 /nfs/dbraw/zinc/28/89/19/506288919.db2.gz QYFRADDGLZYXJW-UHFFFAOYSA-N 2 2 356.426 3.200 20 5 FGBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160448 502589739 /nfs/dbraw/zinc/58/97/39/502589739.db2.gz HUQKOSQFYGWILI-UTKZUKDTSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160448 502589743 /nfs/dbraw/zinc/58/97/43/502589743.db2.gz HUQKOSQFYGWILI-UTKZUKDTSA-N 2 2 369.465 3.191 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)c([N+](=O)[O-])c1 ZINC000494413563 503537984 /nfs/dbraw/zinc/53/79/84/503537984.db2.gz NJBNXSOBSLUVJV-CYBMUJFWSA-N 2 2 368.393 3.165 20 5 FGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421583 504127070 /nfs/dbraw/zinc/12/70/70/504127070.db2.gz LOQTUHLHNMDPPP-JKSUJKDBSA-N 2 2 374.485 3.084 20 5 FGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421583 504127075 /nfs/dbraw/zinc/12/70/75/504127075.db2.gz LOQTUHLHNMDPPP-JKSUJKDBSA-N 2 2 374.485 3.084 20 5 FGBDLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531709761 504399258 /nfs/dbraw/zinc/39/92/58/504399258.db2.gz OZEVXVZORLTJJD-UTKZUKDTSA-N 2 2 368.481 3.234 20 5 FGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549556629 504848820 /nfs/dbraw/zinc/84/88/20/504848820.db2.gz ZTKOCLHWHMFSLF-BEFAXECRSA-N 2 2 355.438 3.301 20 5 FGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549556629 504848825 /nfs/dbraw/zinc/84/88/25/504848825.db2.gz ZTKOCLHWHMFSLF-BEFAXECRSA-N 2 2 355.438 3.301 20 5 FGBDLP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000589267774 506502766 /nfs/dbraw/zinc/50/27/66/506502766.db2.gz MCILFEYVLGUGMS-PMACEKPBSA-N 2 2 355.438 3.399 20 5 FGBDLP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000589267774 506502771 /nfs/dbraw/zinc/50/27/71/506502771.db2.gz MCILFEYVLGUGMS-PMACEKPBSA-N 2 2 355.438 3.399 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600201465 506840607 /nfs/dbraw/zinc/84/06/07/506840607.db2.gz MUEABLLPQRNWMJ-SAPNQHFASA-N 2 2 359.470 3.185 20 5 FGBDLP Cc1noc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595436312 507496002 /nfs/dbraw/zinc/49/60/02/507496002.db2.gz MTFOZFRFIJPEEN-ZIAGYGMSSA-N 2 2 358.442 3.137 20 5 FGBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000093644069 494907468 /nfs/dbraw/zinc/90/74/68/494907468.db2.gz AIEMDAOJLBYAED-YPMHNXCESA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000093644069 494907470 /nfs/dbraw/zinc/90/74/70/494907470.db2.gz AIEMDAOJLBYAED-YPMHNXCESA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH+]1C ZINC000093644069 494907472 /nfs/dbraw/zinc/90/74/72/494907472.db2.gz AIEMDAOJLBYAED-YPMHNXCESA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH+]1C ZINC000093644069 494907476 /nfs/dbraw/zinc/90/74/76/494907476.db2.gz AIEMDAOJLBYAED-YPMHNXCESA-N 2 2 356.264 3.272 20 5 FGBDLP Cc1cc(NC2CC[NH+](C3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057826053 493804208 /nfs/dbraw/zinc/80/42/08/493804208.db2.gz VTQBIFXZJZDYHB-UHFFFAOYSA-N 2 2 353.426 3.399 20 5 FGBDLP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000077248951 494042217 /nfs/dbraw/zinc/04/22/17/494042217.db2.gz JYSNBZOTJGAYPB-UHFFFAOYSA-N 2 2 373.400 3.121 20 5 FGBDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000077248951 494042220 /nfs/dbraw/zinc/04/22/20/494042220.db2.gz JYSNBZOTJGAYPB-UHFFFAOYSA-N 2 2 373.400 3.121 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116396431 494773654 /nfs/dbraw/zinc/77/36/54/494773654.db2.gz IOVONVMZIQZNJI-WMLDXEAASA-N 2 2 364.490 3.186 20 5 FGBDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000173616744 495615718 /nfs/dbraw/zinc/61/57/18/495615718.db2.gz IUIGRDRGIOAXKX-GFCCVEGCSA-N 2 2 368.865 3.038 20 5 FGBDLP C[N@H+](CCCn1cc[nH+]c1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000181074667 496260349 /nfs/dbraw/zinc/26/03/49/496260349.db2.gz DUXGPLUFNYPVFN-UHFFFAOYSA-N 2 2 355.398 3.011 20 5 FGBDLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000181074667 496260353 /nfs/dbraw/zinc/26/03/53/496260353.db2.gz DUXGPLUFNYPVFN-UHFFFAOYSA-N 2 2 355.398 3.011 20 5 FGBDLP C[NH+](C)C1CCN(c2ccc(NCc3csc([N+](=O)[O-])c3)[nH+]c2)CC1 ZINC000269159043 496882825 /nfs/dbraw/zinc/88/28/25/496882825.db2.gz UAXIBKVCAXGYFV-UHFFFAOYSA-N 2 2 361.471 3.194 20 5 FGBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000247886208 496924907 /nfs/dbraw/zinc/92/49/07/496924907.db2.gz DBDYFQLZGDKHRH-JTDSTZFVSA-N 2 2 361.486 3.005 20 5 FGBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000247886208 496924908 /nfs/dbraw/zinc/92/49/08/496924908.db2.gz DBDYFQLZGDKHRH-JTDSTZFVSA-N 2 2 361.486 3.005 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249508971 497213499 /nfs/dbraw/zinc/21/34/99/497213499.db2.gz ZHBUADPLTLZGNM-WMLDXEAASA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249508971 497213504 /nfs/dbraw/zinc/21/35/04/497213504.db2.gz ZHBUADPLTLZGNM-WMLDXEAASA-N 2 2 369.893 3.475 20 5 FGBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000573068211 506110553 /nfs/dbraw/zinc/11/05/53/506110553.db2.gz CZQLKNUIRTXOFK-BHIYHBOVSA-N 2 2 371.485 3.385 20 5 FGBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000573068211 506110557 /nfs/dbraw/zinc/11/05/57/506110557.db2.gz CZQLKNUIRTXOFK-BHIYHBOVSA-N 2 2 371.485 3.385 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370706728 499246171 /nfs/dbraw/zinc/24/61/71/499246171.db2.gz CJCVAYLPENQUDD-PXNSSMCTSA-N 2 2 374.529 3.176 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370706728 499246172 /nfs/dbraw/zinc/24/61/72/499246172.db2.gz CJCVAYLPENQUDD-PXNSSMCTSA-N 2 2 374.529 3.176 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373489374 499472932 /nfs/dbraw/zinc/47/29/32/499472932.db2.gz KUACVAKHXKPOIK-UHFFFAOYSA-N 2 2 357.376 3.490 20 5 FGBDLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000414876814 499840385 /nfs/dbraw/zinc/84/03/85/499840385.db2.gz DYQZJPIJEYJZPZ-WOJBJXKFSA-N 2 2 355.438 3.147 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3nccc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000413102562 499914090 /nfs/dbraw/zinc/91/40/90/499914090.db2.gz KKJNZRBVMSRNNJ-UHFFFAOYSA-N 2 2 369.469 3.114 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429716689 500129956 /nfs/dbraw/zinc/12/99/56/500129956.db2.gz KJOLBBBESUZQOD-UHFFFAOYSA-N 2 2 357.410 3.350 20 5 FGBDLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423293188 500361593 /nfs/dbraw/zinc/36/15/93/500361593.db2.gz QFIGOVUTKNVFMM-AUUYWEPGSA-N 2 2 365.437 3.227 20 5 FGBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433134519 500633013 /nfs/dbraw/zinc/63/30/13/500633013.db2.gz QWINABNMRUEDFE-ZRGWGRIASA-N 2 2 361.486 3.406 20 5 FGBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433134519 500633014 /nfs/dbraw/zinc/63/30/14/500633014.db2.gz QWINABNMRUEDFE-ZRGWGRIASA-N 2 2 361.486 3.406 20 5 FGBDLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448757066 500825740 /nfs/dbraw/zinc/82/57/40/500825740.db2.gz BTGTUZOXEHJDKJ-HNNXBMFYSA-N 2 2 373.457 3.021 20 5 FGBDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435375685 500962823 /nfs/dbraw/zinc/96/28/23/500962823.db2.gz NMYPLBJUUCTEGO-JTQLQIEISA-N 2 2 368.231 3.396 20 5 FGBDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435375685 500962825 /nfs/dbraw/zinc/96/28/25/500962825.db2.gz NMYPLBJUUCTEGO-JTQLQIEISA-N 2 2 368.231 3.396 20 5 FGBDLP Cc1ncsc1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000435427826 500973672 /nfs/dbraw/zinc/97/36/72/500973672.db2.gz NMTFYGJBUVQFLV-LEXSJLIMSA-N 2 2 372.494 3.485 20 5 FGBDLP Cc1ncsc1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000435427826 500973674 /nfs/dbraw/zinc/97/36/74/500973674.db2.gz NMTFYGJBUVQFLV-LEXSJLIMSA-N 2 2 372.494 3.485 20 5 FGBDLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598998047 506270057 /nfs/dbraw/zinc/27/00/57/506270057.db2.gz DBJPXVGEFLVTJQ-IBGZPJMESA-N 2 2 369.469 3.102 20 5 FGBDLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598998047 506270062 /nfs/dbraw/zinc/27/00/62/506270062.db2.gz DBJPXVGEFLVTJQ-IBGZPJMESA-N 2 2 369.469 3.102 20 5 FGBDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000468555246 502103860 /nfs/dbraw/zinc/10/38/60/502103860.db2.gz PQFZKEFZJPPXLZ-MRXNPFEDSA-N 2 2 363.502 3.395 20 5 FGBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153651 502586342 /nfs/dbraw/zinc/58/63/42/502586342.db2.gz BNBIPBXXKOAFBL-NBHGPNQESA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153651 502586345 /nfs/dbraw/zinc/58/63/45/502586345.db2.gz BNBIPBXXKOAFBL-NBHGPNQESA-N 2 2 369.465 3.128 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000470171044 502692109 /nfs/dbraw/zinc/69/21/09/502692109.db2.gz DTWFVTTYMCKLHM-JOIYNNFJSA-N 2 2 372.513 3.100 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000470171044 502692113 /nfs/dbraw/zinc/69/21/13/502692113.db2.gz DTWFVTTYMCKLHM-JOIYNNFJSA-N 2 2 372.513 3.100 20 5 FGBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540153415 503691999 /nfs/dbraw/zinc/69/19/99/503691999.db2.gz KILBOBUAJSCKNQ-OXQOHEQNSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540153415 503692006 /nfs/dbraw/zinc/69/20/06/503692006.db2.gz KILBOBUAJSCKNQ-OXQOHEQNSA-N 2 2 354.454 3.033 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCCn3cc[nH+]c3)cs2)c1 ZINC000609598827 506938345 /nfs/dbraw/zinc/93/83/45/506938345.db2.gz VIDZZAUYCFKCRA-UHFFFAOYSA-N 2 2 357.439 3.485 20 5 FGBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505817 507534814 /nfs/dbraw/zinc/53/48/14/507534814.db2.gz YXWACYGLRZEFBE-LJQANCHMSA-N 2 2 356.426 3.168 20 5 FGBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505817 507534819 /nfs/dbraw/zinc/53/48/19/507534819.db2.gz YXWACYGLRZEFBE-LJQANCHMSA-N 2 2 356.426 3.168 20 5 FGBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505817 507534824 /nfs/dbraw/zinc/53/48/24/507534824.db2.gz YXWACYGLRZEFBE-LJQANCHMSA-N 2 2 356.426 3.168 20 5 FGBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505817 507534829 /nfs/dbraw/zinc/53/48/29/507534829.db2.gz YXWACYGLRZEFBE-LJQANCHMSA-N 2 2 356.426 3.168 20 5 FGBDLP Cc1noc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000595552453 507557089 /nfs/dbraw/zinc/55/70/89/507557089.db2.gz VVXVDUDBBXXZJI-UHFFFAOYSA-N 2 2 355.398 3.222 20 5 FGBDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602526511 507738330 /nfs/dbraw/zinc/73/83/30/507738330.db2.gz KXWLDGNHJZISRD-SNVBAGLBSA-N 2 2 362.293 3.240 20 5 FGBDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602526511 507738336 /nfs/dbraw/zinc/73/83/36/507738336.db2.gz KXWLDGNHJZISRD-SNVBAGLBSA-N 2 2 362.293 3.240 20 5 FGBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844671 505633887 /nfs/dbraw/zinc/63/38/87/505633887.db2.gz BOIDBNHHWHTXOO-SUMWQHHRSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844671 505633889 /nfs/dbraw/zinc/63/38/89/505633889.db2.gz BOIDBNHHWHTXOO-SUMWQHHRSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844671 505633893 /nfs/dbraw/zinc/63/38/93/505633893.db2.gz BOIDBNHHWHTXOO-SUMWQHHRSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844671 505633895 /nfs/dbraw/zinc/63/38/95/505633895.db2.gz BOIDBNHHWHTXOO-SUMWQHHRSA-N 2 2 360.483 3.490 20 5 FGBDLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092071426 494778232 /nfs/dbraw/zinc/77/82/32/494778232.db2.gz ZRCPRZKWDRTKLQ-HNNXBMFYSA-N 2 2 366.425 3.098 20 5 FGBDLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092071426 494778237 /nfs/dbraw/zinc/77/82/37/494778237.db2.gz ZRCPRZKWDRTKLQ-HNNXBMFYSA-N 2 2 366.425 3.098 20 5 FGBDLP Cn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127693161 494982463 /nfs/dbraw/zinc/98/24/63/494982463.db2.gz MHWRGZLLVWBVPN-UHFFFAOYSA-N 2 2 369.469 3.056 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182769412 495696861 /nfs/dbraw/zinc/69/68/61/495696861.db2.gz GITIRCITMMMAPZ-PKOBYXMFSA-N 2 2 360.502 3.066 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000182769412 495696865 /nfs/dbraw/zinc/69/68/65/495696865.db2.gz GITIRCITMMMAPZ-PKOBYXMFSA-N 2 2 360.502 3.066 20 5 FGBDLP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000180589205 496057446 /nfs/dbraw/zinc/05/74/46/496057446.db2.gz JQFJEWANHQXWOS-UWJYYQICSA-N 2 2 369.465 3.242 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000180935647 496207488 /nfs/dbraw/zinc/20/74/88/496207488.db2.gz DECQTDWUFXEOOA-YJBOKZPZSA-N 2 2 368.437 3.273 20 5 FGBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000247701943 496907682 /nfs/dbraw/zinc/90/76/82/496907682.db2.gz UUGUCUGIAYOREZ-KDOFPFPSSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000247701943 496907686 /nfs/dbraw/zinc/90/76/86/496907686.db2.gz UUGUCUGIAYOREZ-KDOFPFPSSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000245447995 497413051 /nfs/dbraw/zinc/41/30/51/497413051.db2.gz MMQZLLMWONRXSY-JKSUJKDBSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000245447995 497413057 /nfs/dbraw/zinc/41/30/57/497413057.db2.gz MMQZLLMWONRXSY-JKSUJKDBSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000245447995 497413063 /nfs/dbraw/zinc/41/30/63/497413063.db2.gz MMQZLLMWONRXSY-JKSUJKDBSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000245447995 497413066 /nfs/dbraw/zinc/41/30/66/497413066.db2.gz MMQZLLMWONRXSY-JKSUJKDBSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000299665834 497887156 /nfs/dbraw/zinc/88/71/56/497887156.db2.gz XFOARSRUVYELEV-UHFFFAOYSA-N 2 2 374.485 3.182 20 5 FGBDLP CCOc1cc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000365189131 498342153 /nfs/dbraw/zinc/34/21/53/498342153.db2.gz JUEMJDKXICEXIU-UHFFFAOYSA-N 2 2 370.453 3.489 20 5 FGBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282157587 498405166 /nfs/dbraw/zinc/40/51/66/498405166.db2.gz TZACIOLMKYCFEW-APWZRJJASA-N 2 2 370.453 3.041 20 5 FGBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282157587 498405171 /nfs/dbraw/zinc/40/51/71/498405171.db2.gz TZACIOLMKYCFEW-APWZRJJASA-N 2 2 370.453 3.041 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000366636910 499013526 /nfs/dbraw/zinc/01/35/26/499013526.db2.gz LLTYVCOLDDGKJK-UHFFFAOYSA-N 2 2 356.426 3.099 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000366636910 499013533 /nfs/dbraw/zinc/01/35/33/499013533.db2.gz LLTYVCOLDDGKJK-UHFFFAOYSA-N 2 2 356.426 3.099 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370706729 499246301 /nfs/dbraw/zinc/24/63/01/499246301.db2.gz CJCVAYLPENQUDD-XLIONFOSSA-N 2 2 374.529 3.176 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370706729 499246303 /nfs/dbraw/zinc/24/63/03/499246303.db2.gz CJCVAYLPENQUDD-XLIONFOSSA-N 2 2 374.529 3.176 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000368963343 499351494 /nfs/dbraw/zinc/35/14/94/499351494.db2.gz AVIGNXWQTIKFHT-KUHUBIRLSA-N 2 2 374.510 3.402 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000368963343 499351495 /nfs/dbraw/zinc/35/14/95/499351495.db2.gz AVIGNXWQTIKFHT-KUHUBIRLSA-N 2 2 374.510 3.402 20 5 FGBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433120 500975346 /nfs/dbraw/zinc/97/53/46/500975346.db2.gz QCNQUOWZJBJZNW-MRXNPFEDSA-N 2 2 358.467 3.196 20 5 FGBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433120 500975348 /nfs/dbraw/zinc/97/53/48/500975348.db2.gz QCNQUOWZJBJZNW-MRXNPFEDSA-N 2 2 358.467 3.196 20 5 FGBDLP Cc1[nH+]cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1-c1ccccc1 ZINC000446840509 501171616 /nfs/dbraw/zinc/17/16/16/501171616.db2.gz ZTRDZTYWTLPHHB-UHFFFAOYSA-N 2 2 362.393 3.255 20 5 FGBDLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000475343023 502141787 /nfs/dbraw/zinc/14/17/87/502141787.db2.gz PSSMHLZLTNPEFK-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000475343023 502141788 /nfs/dbraw/zinc/14/17/88/502141788.db2.gz PSSMHLZLTNPEFK-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000475343023 502141790 /nfs/dbraw/zinc/14/17/90/502141790.db2.gz PSSMHLZLTNPEFK-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000475343023 502141792 /nfs/dbraw/zinc/14/17/92/502141792.db2.gz PSSMHLZLTNPEFK-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000470171043 502692010 /nfs/dbraw/zinc/69/20/10/502692010.db2.gz DTWFVTTYMCKLHM-IYYMRFBLSA-N 2 2 372.513 3.100 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000470171043 502692013 /nfs/dbraw/zinc/69/20/13/502692013.db2.gz DTWFVTTYMCKLHM-IYYMRFBLSA-N 2 2 372.513 3.100 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000470170092 502692091 /nfs/dbraw/zinc/69/20/91/502692091.db2.gz OKCJKRWLRGUYOZ-GTVARFKMSA-N 2 2 359.470 3.042 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000470170092 502692094 /nfs/dbraw/zinc/69/20/94/502692094.db2.gz OKCJKRWLRGUYOZ-GTVARFKMSA-N 2 2 359.470 3.042 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000535809213 504551971 /nfs/dbraw/zinc/55/19/71/504551971.db2.gz LMQYIVMQTQKAJE-XKGZKEIXSA-N 2 2 361.486 3.402 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000535809213 504551975 /nfs/dbraw/zinc/55/19/75/504551975.db2.gz LMQYIVMQTQKAJE-XKGZKEIXSA-N 2 2 361.486 3.402 20 5 FGBDLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000553711516 504988924 /nfs/dbraw/zinc/98/89/24/504988924.db2.gz MSURCBLONAPVRC-UHFFFAOYSA-N 2 2 369.465 3.400 20 5 FGBDLP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000593316865 506534012 /nfs/dbraw/zinc/53/40/12/506534012.db2.gz ZVTLKMILQSJBJZ-UHFFFAOYSA-N 2 2 359.426 3.055 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000595046244 507366568 /nfs/dbraw/zinc/36/65/68/507366568.db2.gz ONGJAOXGKVEJMU-AWEZNQCLSA-N 2 2 354.410 3.453 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595503798 507534403 /nfs/dbraw/zinc/53/44/03/507534403.db2.gz CDFXCMQBRQSXRU-AUUYWEPGSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595503798 507534412 /nfs/dbraw/zinc/53/44/12/507534412.db2.gz CDFXCMQBRQSXRU-AUUYWEPGSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595503798 507534418 /nfs/dbraw/zinc/53/44/18/507534418.db2.gz CDFXCMQBRQSXRU-AUUYWEPGSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595503798 507534424 /nfs/dbraw/zinc/53/44/24/507534424.db2.gz CDFXCMQBRQSXRU-AUUYWEPGSA-N 2 2 371.441 3.124 20 5 FGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000893114118 742112060 /nfs/dbraw/zinc/11/20/60/742112060.db2.gz RKXTZNUITWNCQV-SJLPKXTDSA-N 2 2 367.877 3.106 20 5 FGBDLP Cc1cc(NCc2nc(C[NH+](C)C)cs2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000895483797 742418333 /nfs/dbraw/zinc/41/83/33/742418333.db2.gz BKKNEMWFFOGOHI-UHFFFAOYSA-N 2 2 357.439 3.004 20 5 FGBDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000126322887 494709357 /nfs/dbraw/zinc/70/93/57/494709357.db2.gz WWCCURQMNGWUJC-UHFFFAOYSA-N 2 2 373.453 3.133 20 5 FGBDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000126322887 494709365 /nfs/dbraw/zinc/70/93/65/494709365.db2.gz WWCCURQMNGWUJC-UHFFFAOYSA-N 2 2 373.453 3.133 20 5 FGBDLP C[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000180589259 496058093 /nfs/dbraw/zinc/05/80/93/496058093.db2.gz JQFJEWANHQXWOS-DYESRHJHSA-N 2 2 369.465 3.242 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191508006 496789645 /nfs/dbraw/zinc/78/96/45/496789645.db2.gz YQPIZOAEYMAYCO-UHFFFAOYSA-N 2 2 373.457 3.013 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191508006 496789651 /nfs/dbraw/zinc/78/96/51/496789651.db2.gz YQPIZOAEYMAYCO-UHFFFAOYSA-N 2 2 373.457 3.013 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252652950 497315827 /nfs/dbraw/zinc/31/58/27/497315827.db2.gz RGXLBYSZGOYWOS-KMFMINBZSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252652950 497315831 /nfs/dbraw/zinc/31/58/31/497315831.db2.gz RGXLBYSZGOYWOS-KMFMINBZSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252652950 497315836 /nfs/dbraw/zinc/31/58/36/497315836.db2.gz RGXLBYSZGOYWOS-KMFMINBZSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252652950 497315840 /nfs/dbraw/zinc/31/58/40/497315840.db2.gz RGXLBYSZGOYWOS-KMFMINBZSA-N 2 2 371.441 3.122 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000245567349 497459810 /nfs/dbraw/zinc/45/98/10/497459810.db2.gz FLEOTAPVTISJJW-QIIPPGSGSA-N 2 2 371.441 3.010 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000245567349 497459814 /nfs/dbraw/zinc/45/98/14/497459814.db2.gz FLEOTAPVTISJJW-QIIPPGSGSA-N 2 2 371.441 3.010 20 5 FGBDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284895253 497933115 /nfs/dbraw/zinc/93/31/15/497933115.db2.gz BZUWHCOGAWOTOB-LSDHHAIUSA-N 2 2 369.469 3.448 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781608 498553041 /nfs/dbraw/zinc/55/30/41/498553041.db2.gz OEUIBQYGZXYKLJ-QZTJIDSGSA-N 2 2 358.442 3.285 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781608 498553048 /nfs/dbraw/zinc/55/30/48/498553048.db2.gz OEUIBQYGZXYKLJ-QZTJIDSGSA-N 2 2 358.442 3.285 20 5 FGBDLP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372584053 499149304 /nfs/dbraw/zinc/14/93/04/499149304.db2.gz MYWGSFWDUFJJHM-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372584053 499149307 /nfs/dbraw/zinc/14/93/07/499149307.db2.gz MYWGSFWDUFJJHM-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415073057 499860918 /nfs/dbraw/zinc/86/09/18/499860918.db2.gz YXXOGZUEQPNALI-KUHUBIRLSA-N 2 2 370.453 3.164 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423342744 500365609 /nfs/dbraw/zinc/36/56/09/500365609.db2.gz VNMDISVFPIPFJU-VOBQZIQPSA-N 2 2 355.438 3.400 20 5 FGBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)nc2c1 ZINC000444688115 500879885 /nfs/dbraw/zinc/87/98/85/500879885.db2.gz XKDYZOKHAJSYJA-UHFFFAOYSA-N 2 2 368.441 3.360 20 5 FGBDLP Cc1ncsc1C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H]1CC[NH2+]C1 ZINC000435443876 500978749 /nfs/dbraw/zinc/97/87/49/500978749.db2.gz SYUYQJZQXVBBBE-INIZCTEOSA-N 2 2 360.483 3.280 20 5 FGBDLP Cc1ncsc1C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H]1CC[NH2+]C1 ZINC000435443876 500978753 /nfs/dbraw/zinc/97/87/53/500978753.db2.gz SYUYQJZQXVBBBE-INIZCTEOSA-N 2 2 360.483 3.280 20 5 FGBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000602819156 506313694 /nfs/dbraw/zinc/31/36/94/506313694.db2.gz BCJRADTUIQJRCH-UHFFFAOYSA-N 2 2 368.441 3.095 20 5 FGBDLP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000469982900 502617543 /nfs/dbraw/zinc/61/75/43/502617543.db2.gz FIXNQFMVHLIYNU-KXBFYZLASA-N 2 2 354.454 3.298 20 5 FGBDLP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000469982900 502617551 /nfs/dbraw/zinc/61/75/51/502617551.db2.gz FIXNQFMVHLIYNU-KXBFYZLASA-N 2 2 354.454 3.298 20 5 FGBDLP COc1cc[nH+]c(N2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000470172217 502693367 /nfs/dbraw/zinc/69/33/67/502693367.db2.gz TUSOUSKUEOJTSX-VBKFSLOCSA-N 2 2 368.437 3.224 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532520354 504680653 /nfs/dbraw/zinc/68/06/53/504680653.db2.gz DDWQXCNAMCLQLH-UWJYYQICSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532520354 504680661 /nfs/dbraw/zinc/68/06/61/504680661.db2.gz DDWQXCNAMCLQLH-UWJYYQICSA-N 2 2 369.465 3.191 20 5 FGBDLP C[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000589267780 506502569 /nfs/dbraw/zinc/50/25/69/506502569.db2.gz MCILFEYVLGUGMS-WOJBJXKFSA-N 2 2 355.438 3.399 20 5 FGBDLP C[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000589267780 506502579 /nfs/dbraw/zinc/50/25/79/506502579.db2.gz MCILFEYVLGUGMS-WOJBJXKFSA-N 2 2 355.438 3.399 20 5 FGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[N@H+](Cc4cscn4)CC3)c2c1 ZINC000601110969 507265153 /nfs/dbraw/zinc/26/51/53/507265153.db2.gz MREARPVZCVCSLH-UHFFFAOYSA-N 2 2 369.450 3.312 20 5 FGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[N@@H+](Cc4cscn4)CC3)c2c1 ZINC000601110969 507265156 /nfs/dbraw/zinc/26/51/56/507265156.db2.gz MREARPVZCVCSLH-UHFFFAOYSA-N 2 2 369.450 3.312 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930092755 760528800 /nfs/dbraw/zinc/52/88/00/760528800.db2.gz DGRHEBPJUJWVQP-NSHDSACASA-N 2 2 365.231 3.080 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930092755 760528809 /nfs/dbraw/zinc/52/88/09/760528809.db2.gz DGRHEBPJUJWVQP-NSHDSACASA-N 2 2 365.231 3.080 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC([NH+]4CCCC4)CC3)o2)c1 ZINC000066532840 494351550 /nfs/dbraw/zinc/35/15/50/494351550.db2.gz SUINDNGLRPTPLX-UHFFFAOYSA-N 2 2 370.453 3.353 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122412967 494971875 /nfs/dbraw/zinc/97/18/75/494971875.db2.gz XHBQFOOERASHGH-UHFFFAOYSA-N 2 2 369.465 3.400 20 5 FGBDLP Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264945208 497016521 /nfs/dbraw/zinc/01/65/21/497016521.db2.gz TVRSRVYTOPDUQM-UHFFFAOYSA-N 2 2 364.409 3.467 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356376 497086526 /nfs/dbraw/zinc/08/65/26/497086526.db2.gz FJHMKYVYMAMXTB-OAQYLSRUSA-N 2 2 369.465 3.284 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356376 497086533 /nfs/dbraw/zinc/08/65/33/497086533.db2.gz FJHMKYVYMAMXTB-OAQYLSRUSA-N 2 2 369.465 3.284 20 5 FGBDLP COc1ccc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000576388822 506146359 /nfs/dbraw/zinc/14/63/59/506146359.db2.gz NGGFEAJHRQWOGB-UXHICEINSA-N 2 2 371.437 3.065 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000377947975 499750327 /nfs/dbraw/zinc/75/03/27/499750327.db2.gz IJABFBJUHYJWMD-GMBSWORKSA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000377947975 499750328 /nfs/dbraw/zinc/75/03/28/499750328.db2.gz IJABFBJUHYJWMD-GMBSWORKSA-N 2 2 357.458 3.062 20 5 FGBDLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC[NH2+]1 ZINC000414948548 499847916 /nfs/dbraw/zinc/84/79/16/499847916.db2.gz XPZKRCXZJJOVDF-GOSISDBHSA-N 2 2 361.467 3.182 20 5 FGBDLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417308226 500036059 /nfs/dbraw/zinc/03/60/59/500036059.db2.gz HQZKHLDMMLJRNB-AZUAARDMSA-N 2 2 361.486 3.045 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000423322262 500364234 /nfs/dbraw/zinc/36/42/34/500364234.db2.gz GIOUIWCLYLKQCS-RYGJVYDSSA-N 2 2 369.465 3.270 20 5 FGBDLP Cc1cccc(NCCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[nH+]1 ZINC000427369462 500386490 /nfs/dbraw/zinc/38/64/90/500386490.db2.gz GTGJTABSPHKZGX-UHFFFAOYSA-N 2 2 364.409 3.010 20 5 FGBDLP COc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435393418 500967308 /nfs/dbraw/zinc/96/73/08/500967308.db2.gz JRXNRGGMGCRULD-GOSISDBHSA-N 2 2 370.453 3.143 20 5 FGBDLP COc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435393418 500967313 /nfs/dbraw/zinc/96/73/13/500967313.db2.gz JRXNRGGMGCRULD-GOSISDBHSA-N 2 2 370.453 3.143 20 5 FGBDLP O=[N+]([O-])c1c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc2c[nH+]ccc21 ZINC000599053968 506296362 /nfs/dbraw/zinc/29/63/62/506296362.db2.gz BLFFWJRBYYLAMO-OALUTQOASA-N 2 2 370.453 3.323 20 5 FGBDLP CC(C)[NH+](CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000560521606 505112911 /nfs/dbraw/zinc/11/29/11/505112911.db2.gz XCTHIBVHZIZRCD-SFHVURJKSA-N 2 2 359.474 3.126 20 5 FGBDLP C[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000589267776 506502058 /nfs/dbraw/zinc/50/20/58/506502058.db2.gz MCILFEYVLGUGMS-UXHICEINSA-N 2 2 355.438 3.399 20 5 FGBDLP C[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000589267776 506502061 /nfs/dbraw/zinc/50/20/61/506502061.db2.gz MCILFEYVLGUGMS-UXHICEINSA-N 2 2 355.438 3.399 20 5 FGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cn21 ZINC000592403529 507643874 /nfs/dbraw/zinc/64/38/74/507643874.db2.gz NGLJUNAYPFCIRS-SJORKVTESA-N 2 2 368.441 3.063 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809757868 725265767 /nfs/dbraw/zinc/26/57/67/725265767.db2.gz VCQHBAWPRPYSRL-NSHDSACASA-N 2 2 365.231 3.080 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809757868 725265768 /nfs/dbraw/zinc/26/57/68/725265768.db2.gz VCQHBAWPRPYSRL-NSHDSACASA-N 2 2 365.231 3.080 20 5 FGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000872088852 735586768 /nfs/dbraw/zinc/58/67/68/735586768.db2.gz RNUFCPVVKBANDT-CZUORRHYSA-N 2 2 365.499 3.221 20 5 FGBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000904450391 743956007 /nfs/dbraw/zinc/95/60/07/743956007.db2.gz PXEFHFKLMIMQME-UHFFFAOYSA-N 2 2 366.215 3.198 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000072725386 494241388 /nfs/dbraw/zinc/24/13/88/494241388.db2.gz MMQZLLMWONRXSY-CVEARBPZSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000072725386 494241390 /nfs/dbraw/zinc/24/13/90/494241390.db2.gz MMQZLLMWONRXSY-CVEARBPZSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000072725386 494241394 /nfs/dbraw/zinc/24/13/94/494241394.db2.gz MMQZLLMWONRXSY-CVEARBPZSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000072725386 494241396 /nfs/dbraw/zinc/24/13/96/494241396.db2.gz MMQZLLMWONRXSY-CVEARBPZSA-N 2 2 362.474 3.036 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277408583 496763267 /nfs/dbraw/zinc/76/32/67/496763267.db2.gz ZVXAWWGJKJIDGU-DZGCQCFKSA-N 2 2 359.430 3.122 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277408583 496763274 /nfs/dbraw/zinc/76/32/74/496763274.db2.gz ZVXAWWGJKJIDGU-DZGCQCFKSA-N 2 2 359.430 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277408589 496763374 /nfs/dbraw/zinc/76/33/74/496763374.db2.gz ZVXAWWGJKJIDGU-HIFRSBDPSA-N 2 2 359.430 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277408589 496763381 /nfs/dbraw/zinc/76/33/81/496763381.db2.gz ZVXAWWGJKJIDGU-HIFRSBDPSA-N 2 2 359.430 3.122 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249590759 497225980 /nfs/dbraw/zinc/22/59/80/497225980.db2.gz VIKZSTKIHPUUGT-UTKZUKDTSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249590759 497225982 /nfs/dbraw/zinc/22/59/82/497225982.db2.gz VIKZSTKIHPUUGT-UTKZUKDTSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249590759 497225984 /nfs/dbraw/zinc/22/59/84/497225984.db2.gz VIKZSTKIHPUUGT-UTKZUKDTSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249590759 497225987 /nfs/dbraw/zinc/22/59/87/497225987.db2.gz VIKZSTKIHPUUGT-UTKZUKDTSA-N 2 2 369.465 3.225 20 5 FGBDLP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301352297 498069995 /nfs/dbraw/zinc/06/99/95/498069995.db2.gz LSRYYLMNYQRZRG-OAHLLOKOSA-N 2 2 355.442 3.138 20 5 FGBDLP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301352297 498069998 /nfs/dbraw/zinc/06/99/98/498069998.db2.gz LSRYYLMNYQRZRG-OAHLLOKOSA-N 2 2 355.442 3.138 20 5 FGBDLP Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821808 498279969 /nfs/dbraw/zinc/27/99/69/498279969.db2.gz KILQEHNWQPEGCH-PBHICJAKSA-N 2 2 355.442 3.279 20 5 FGBDLP Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821808 498279974 /nfs/dbraw/zinc/27/99/74/498279974.db2.gz KILQEHNWQPEGCH-PBHICJAKSA-N 2 2 355.442 3.279 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273568 498382050 /nfs/dbraw/zinc/38/20/50/498382050.db2.gz ZSRNLLWQKQOYCB-GOSISDBHSA-N 2 2 366.425 3.123 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273568 498382055 /nfs/dbraw/zinc/38/20/55/498382055.db2.gz ZSRNLLWQKQOYCB-GOSISDBHSA-N 2 2 366.425 3.123 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231037 499492654 /nfs/dbraw/zinc/49/26/54/499492654.db2.gz REGAIWQBUJYWHP-MSOLQXFVSA-N 2 2 358.442 3.113 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231037 499492655 /nfs/dbraw/zinc/49/26/55/499492655.db2.gz REGAIWQBUJYWHP-MSOLQXFVSA-N 2 2 358.442 3.113 20 5 FGBDLP Cn1cc(C[NH2+]CC[NH2+]C2CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414803527 499833004 /nfs/dbraw/zinc/83/30/04/499833004.db2.gz JOEFDQYUJAYQJO-UHFFFAOYSA-N 2 2 371.485 3.397 20 5 FGBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000415111055 499865027 /nfs/dbraw/zinc/86/50/27/499865027.db2.gz QDBRFXRXESSAGR-CQSZACIVSA-N 2 2 365.817 3.058 20 5 FGBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000415111055 499865029 /nfs/dbraw/zinc/86/50/29/499865029.db2.gz QDBRFXRXESSAGR-CQSZACIVSA-N 2 2 365.817 3.058 20 5 FGBDLP COc1ccc([C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]2CCC[NH2+]2)cc1 ZINC000423013514 500330921 /nfs/dbraw/zinc/33/09/21/500330921.db2.gz NAERBFSMGXHOJX-UXHICEINSA-N 2 2 355.438 3.229 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423340767 500365440 /nfs/dbraw/zinc/36/54/40/500365440.db2.gz TXZBVXRYQVNQQJ-PNHOKKKMSA-N 2 2 355.438 3.400 20 5 FGBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420962301 500542213 /nfs/dbraw/zinc/54/22/13/500542213.db2.gz JXQMCDGVGBRGTN-UHFFFAOYSA-N 2 2 369.465 3.102 20 5 FGBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420962301 500542215 /nfs/dbraw/zinc/54/22/15/500542215.db2.gz JXQMCDGVGBRGTN-UHFFFAOYSA-N 2 2 369.465 3.102 20 5 FGBDLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000433134401 500633166 /nfs/dbraw/zinc/63/31/66/500633166.db2.gz QWINABNMRUEDFE-CLCXKQKWSA-N 2 2 361.486 3.406 20 5 FGBDLP C[C@H](C[NH3+])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435382302 500964376 /nfs/dbraw/zinc/96/43/76/500964376.db2.gz YOYJIJBUQHOXMW-OAHLLOKOSA-N 2 2 365.437 3.227 20 5 FGBDLP C[C@H](C[NH3+])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435382302 500964378 /nfs/dbraw/zinc/96/43/78/500964378.db2.gz YOYJIJBUQHOXMW-OAHLLOKOSA-N 2 2 365.437 3.227 20 5 FGBDLP CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435630179 501004253 /nfs/dbraw/zinc/00/42/53/501004253.db2.gz WBDNUNWFCDUVMK-ZDUSSCGKSA-N 2 2 373.400 3.169 20 5 FGBDLP CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435630179 501004257 /nfs/dbraw/zinc/00/42/57/501004257.db2.gz WBDNUNWFCDUVMK-ZDUSSCGKSA-N 2 2 373.400 3.169 20 5 FGBDLP Cc1ncsc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CC[NH2+]C1 ZINC000435735083 501020079 /nfs/dbraw/zinc/02/00/79/501020079.db2.gz JIQVLHYPDGNBJL-HNNXBMFYSA-N 2 2 360.483 3.280 20 5 FGBDLP Cc1ncsc1C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CC[NH2+]C1 ZINC000435735083 501020081 /nfs/dbraw/zinc/02/00/81/501020081.db2.gz JIQVLHYPDGNBJL-HNNXBMFYSA-N 2 2 360.483 3.280 20 5 FGBDLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000565711754 504965741 /nfs/dbraw/zinc/96/57/41/504965741.db2.gz GEGMDEQUXSSPAA-INIZCTEOSA-N 2 2 370.453 3.034 20 5 FGBDLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000565711754 504965744 /nfs/dbraw/zinc/96/57/44/504965744.db2.gz GEGMDEQUXSSPAA-INIZCTEOSA-N 2 2 370.453 3.034 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595081620 507382621 /nfs/dbraw/zinc/38/26/21/507382621.db2.gz SZFVXNPKFLZCSA-RDJZCZTQSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595081620 507382627 /nfs/dbraw/zinc/38/26/27/507382627.db2.gz SZFVXNPKFLZCSA-RDJZCZTQSA-N 2 2 374.485 3.309 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000611287824 507605756 /nfs/dbraw/zinc/60/57/56/507605756.db2.gz RHXZSXAOOAQZGG-IAGOWNOFSA-N 2 2 352.438 3.014 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000846835808 730986113 /nfs/dbraw/zinc/98/61/13/730986113.db2.gz DVODDJYMFXSBRF-LBPRGKRZSA-N 2 2 365.231 3.080 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000846835808 730986114 /nfs/dbraw/zinc/98/61/14/730986114.db2.gz DVODDJYMFXSBRF-LBPRGKRZSA-N 2 2 365.231 3.080 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017671 494810226 /nfs/dbraw/zinc/81/02/26/494810226.db2.gz CNRNWHPYSQSHEJ-SFHVURJKSA-N 2 2 361.486 3.262 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017671 494810230 /nfs/dbraw/zinc/81/02/30/494810230.db2.gz CNRNWHPYSQSHEJ-SFHVURJKSA-N 2 2 361.486 3.262 20 5 FGBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625137 497062946 /nfs/dbraw/zinc/06/29/46/497062946.db2.gz NODIEYMCLHIFSU-SUMWQHHRSA-N 2 2 363.433 3.191 20 5 FGBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625137 497062952 /nfs/dbraw/zinc/06/29/52/497062952.db2.gz NODIEYMCLHIFSU-SUMWQHHRSA-N 2 2 363.433 3.191 20 5 FGBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625137 497062957 /nfs/dbraw/zinc/06/29/57/497062957.db2.gz NODIEYMCLHIFSU-SUMWQHHRSA-N 2 2 363.433 3.191 20 5 FGBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625137 497062962 /nfs/dbraw/zinc/06/29/62/497062962.db2.gz NODIEYMCLHIFSU-SUMWQHHRSA-N 2 2 363.433 3.191 20 5 FGBDLP Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821811 498280575 /nfs/dbraw/zinc/28/05/75/498280575.db2.gz KILQEHNWQPEGCH-YOEHRIQHSA-N 2 2 355.442 3.279 20 5 FGBDLP Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821811 498280579 /nfs/dbraw/zinc/28/05/79/498280579.db2.gz KILQEHNWQPEGCH-YOEHRIQHSA-N 2 2 355.442 3.279 20 5 FGBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282157590 498405360 /nfs/dbraw/zinc/40/53/60/498405360.db2.gz TZACIOLMKYCFEW-LPHOPBHVSA-N 2 2 370.453 3.041 20 5 FGBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282157590 498405364 /nfs/dbraw/zinc/40/53/64/498405364.db2.gz TZACIOLMKYCFEW-LPHOPBHVSA-N 2 2 370.453 3.041 20 5 FGBDLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000365819631 498654756 /nfs/dbraw/zinc/65/47/56/498654756.db2.gz JTTAVFJSGBCWEK-VQIMIIECSA-N 2 2 370.409 3.286 20 5 FGBDLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000365819631 498654763 /nfs/dbraw/zinc/65/47/63/498654763.db2.gz JTTAVFJSGBCWEK-VQIMIIECSA-N 2 2 370.409 3.286 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000369594490 499424189 /nfs/dbraw/zinc/42/41/89/499424189.db2.gz ZDIGZOJCAICZJG-ACJLOTCBSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000369594490 499424191 /nfs/dbraw/zinc/42/41/91/499424191.db2.gz ZDIGZOJCAICZJG-ACJLOTCBSA-N 2 2 360.483 3.360 20 5 FGBDLP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414891440 499842197 /nfs/dbraw/zinc/84/21/97/499842197.db2.gz NZHYVXGCKVFJLK-KRWDZBQOSA-N 2 2 371.437 3.009 20 5 FGBDLP C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000425453967 500110075 /nfs/dbraw/zinc/11/00/75/500110075.db2.gz CUGDSKWJBQMSER-YIONKMFJSA-N 2 2 368.275 3.414 20 5 FGBDLP C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000425453967 500110076 /nfs/dbraw/zinc/11/00/76/500110076.db2.gz CUGDSKWJBQMSER-YIONKMFJSA-N 2 2 368.275 3.414 20 5 FGBDLP C[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000425453967 500110079 /nfs/dbraw/zinc/11/00/79/500110079.db2.gz CUGDSKWJBQMSER-YIONKMFJSA-N 2 2 368.275 3.414 20 5 FGBDLP C[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000425453967 500110082 /nfs/dbraw/zinc/11/00/82/500110082.db2.gz CUGDSKWJBQMSER-YIONKMFJSA-N 2 2 368.275 3.414 20 5 FGBDLP COc1ccc([C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[NH2+]2)cc1 ZINC000422779940 500296606 /nfs/dbraw/zinc/29/66/06/500296606.db2.gz CKKRSPBAINTXDO-ICSRJNTNSA-N 2 2 355.438 3.229 20 5 FGBDLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000435376632 500962881 /nfs/dbraw/zinc/96/28/81/500962881.db2.gz SGGQIQOMSVHPHH-KBPBESRZSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000435376632 500962883 /nfs/dbraw/zinc/96/28/83/500962883.db2.gz SGGQIQOMSVHPHH-KBPBESRZSA-N 2 2 361.467 3.261 20 5 FGBDLP COC1CC[NH+](C(C)(C)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468628895 502130325 /nfs/dbraw/zinc/13/03/25/502130325.db2.gz SAWIOMDMBRRSPN-FOWTUZBSSA-N 2 2 361.486 3.477 20 5 FGBDLP COC1CC[NH+](C(C)(C)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468628896 502130754 /nfs/dbraw/zinc/13/07/54/502130754.db2.gz SAWIOMDMBRRSPN-VBKFSLOCSA-N 2 2 361.486 3.477 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599064197 506304560 /nfs/dbraw/zinc/30/45/60/506304560.db2.gz KZCSXGBNDFTVEK-KXBFYZLASA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599064197 506304565 /nfs/dbraw/zinc/30/45/65/506304565.db2.gz KZCSXGBNDFTVEK-KXBFYZLASA-N 2 2 374.485 3.309 20 5 FGBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000487086178 502353373 /nfs/dbraw/zinc/35/33/73/502353373.db2.gz KMJSTQYIAPWRFN-UHFFFAOYSA-N 2 2 364.490 3.210 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000470170095 502692356 /nfs/dbraw/zinc/69/23/56/502692356.db2.gz OKCJKRWLRGUYOZ-XYSGSMRZSA-N 2 2 359.470 3.042 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000470170095 502692361 /nfs/dbraw/zinc/69/23/61/502692361.db2.gz OKCJKRWLRGUYOZ-XYSGSMRZSA-N 2 2 359.470 3.042 20 5 FGBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000513391556 502923488 /nfs/dbraw/zinc/92/34/88/502923488.db2.gz DEIZBIYRBBPBPZ-UHFFFAOYSA-N 2 2 370.453 3.444 20 5 FGBDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000538557904 504284042 /nfs/dbraw/zinc/28/40/42/504284042.db2.gz SIWXKEPOKKJTBG-KDOFPFPSSA-N 2 2 355.442 3.303 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000566500862 505190929 /nfs/dbraw/zinc/19/09/29/505190929.db2.gz MMXHDXMYEGYCDP-CVEARBPZSA-N 2 2 362.474 3.022 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000594738037 507261681 /nfs/dbraw/zinc/26/16/81/507261681.db2.gz AWOJLOXMVQXMAI-HKUYNNGSSA-N 2 2 373.428 3.286 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)o2)c1 ZINC000594994946 507347395 /nfs/dbraw/zinc/34/73/95/507347395.db2.gz XSXCUPSZXVUUKA-GOSISDBHSA-N 2 2 371.437 3.198 20 5 FGBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000611287783 507606479 /nfs/dbraw/zinc/60/64/79/507606479.db2.gz JKUDUSWJPRYLOZ-GJZGRUSLSA-N 2 2 357.385 3.177 20 5 FGBDLP COc1cc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000614741417 507640569 /nfs/dbraw/zinc/64/05/69/507640569.db2.gz ZGVHHIFAVQEKEI-AWEZNQCLSA-N 2 2 374.416 3.265 20 5 FGBDLP COc1cc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000614741417 507640576 /nfs/dbraw/zinc/64/05/76/507640576.db2.gz ZGVHHIFAVQEKEI-AWEZNQCLSA-N 2 2 374.416 3.265 20 5 FGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cn21 ZINC000592403526 507643812 /nfs/dbraw/zinc/64/38/12/507643812.db2.gz NGLJUNAYPFCIRS-DLBZAZTESA-N 2 2 368.441 3.063 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1Br ZINC000602455436 507716309 /nfs/dbraw/zinc/71/63/09/507716309.db2.gz XPLKJJFIWXZXAN-UHFFFAOYSA-N 2 2 371.260 3.452 20 5 FGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000841039203 730205029 /nfs/dbraw/zinc/20/50/29/730205029.db2.gz FIGVMSGCTXKGRB-AWEZNQCLSA-N 2 2 356.264 3.355 20 5 FGBDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571390 493918689 /nfs/dbraw/zinc/91/86/89/493918689.db2.gz FGPRTIXANPXPER-LSDHHAIUSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571390 493918693 /nfs/dbraw/zinc/91/86/93/493918693.db2.gz FGPRTIXANPXPER-LSDHHAIUSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571390 493918696 /nfs/dbraw/zinc/91/86/96/493918696.db2.gz FGPRTIXANPXPER-LSDHHAIUSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571390 493918701 /nfs/dbraw/zinc/91/87/01/493918701.db2.gz FGPRTIXANPXPER-LSDHHAIUSA-N 2 2 373.457 3.370 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(n4cc[nH+]c4)CC3)o2)c1 ZINC000111244533 495053683 /nfs/dbraw/zinc/05/36/83/495053683.db2.gz ADWDFCXPYWSYPR-UHFFFAOYSA-N 2 2 367.409 3.326 20 5 FGBDLP Cc1c(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000134691268 495187741 /nfs/dbraw/zinc/18/77/41/495187741.db2.gz KNTBEVIROIKETK-OAHLLOKOSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1c(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000134691268 495187744 /nfs/dbraw/zinc/18/77/44/495187744.db2.gz KNTBEVIROIKETK-OAHLLOKOSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1cc(N2CCC([NH2+]C(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264905941 497007486 /nfs/dbraw/zinc/00/74/86/497007486.db2.gz CZFMNFYWSWNDKG-UHFFFAOYSA-N 2 2 355.442 3.327 20 5 FGBDLP CC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267250038 497510779 /nfs/dbraw/zinc/51/07/79/497510779.db2.gz OABDCLJUTPPHQJ-OAHLLOKOSA-N 2 2 355.442 3.138 20 5 FGBDLP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267250038 497510786 /nfs/dbraw/zinc/51/07/86/497510786.db2.gz OABDCLJUTPPHQJ-OAHLLOKOSA-N 2 2 355.442 3.138 20 5 FGBDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089645 498263259 /nfs/dbraw/zinc/26/32/59/498263259.db2.gz WXGAOIJVIBOXHN-IBGZPJMESA-N 2 2 356.426 3.168 20 5 FGBDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089645 498263264 /nfs/dbraw/zinc/26/32/64/498263264.db2.gz WXGAOIJVIBOXHN-IBGZPJMESA-N 2 2 356.426 3.168 20 5 FGBDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089645 498263273 /nfs/dbraw/zinc/26/32/73/498263273.db2.gz WXGAOIJVIBOXHN-IBGZPJMESA-N 2 2 356.426 3.168 20 5 FGBDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089645 498263281 /nfs/dbraw/zinc/26/32/81/498263281.db2.gz WXGAOIJVIBOXHN-IBGZPJMESA-N 2 2 356.426 3.168 20 5 FGBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000361048599 498337427 /nfs/dbraw/zinc/33/74/27/498337427.db2.gz OOAQEFUFEJSJPC-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000361048599 498337431 /nfs/dbraw/zinc/33/74/31/498337431.db2.gz OOAQEFUFEJSJPC-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccnc1 ZINC000377298630 499677838 /nfs/dbraw/zinc/67/78/38/499677838.db2.gz OJIAZWVCQRIHPU-YJBOKZPZSA-N 2 2 360.845 3.426 20 5 FGBDLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000377964171 499751804 /nfs/dbraw/zinc/75/18/04/499751804.db2.gz VAJMOFYZILAMIP-INIZCTEOSA-N 2 2 354.454 3.348 20 5 FGBDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000425428622 500103573 /nfs/dbraw/zinc/10/35/73/500103573.db2.gz XJPQQDHIGNVYLE-BXUZGUMPSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425428622 500103575 /nfs/dbraw/zinc/10/35/75/500103575.db2.gz XJPQQDHIGNVYLE-BXUZGUMPSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[NH+]1C ZINC000425428622 500103577 /nfs/dbraw/zinc/10/35/77/500103577.db2.gz XJPQQDHIGNVYLE-BXUZGUMPSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[NH+]1C ZINC000425428622 500103580 /nfs/dbraw/zinc/10/35/80/500103580.db2.gz XJPQQDHIGNVYLE-BXUZGUMPSA-N 2 2 356.264 3.272 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000426001822 500224230 /nfs/dbraw/zinc/22/42/30/500224230.db2.gz ZGEIDMJGJHVXCI-HDICACEKSA-N 2 2 366.465 3.356 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000426001822 500224232 /nfs/dbraw/zinc/22/42/32/500224232.db2.gz ZGEIDMJGJHVXCI-HDICACEKSA-N 2 2 366.465 3.356 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000426001822 500224234 /nfs/dbraw/zinc/22/42/34/500224234.db2.gz ZGEIDMJGJHVXCI-HDICACEKSA-N 2 2 366.465 3.356 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000426001822 500224238 /nfs/dbraw/zinc/22/42/38/500224238.db2.gz ZGEIDMJGJHVXCI-HDICACEKSA-N 2 2 366.465 3.356 20 5 FGBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596150114 506281715 /nfs/dbraw/zinc/28/17/15/506281715.db2.gz GKJDZMUYQJSOFH-UHFFFAOYSA-N 2 2 360.380 3.052 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468651653 502135988 /nfs/dbraw/zinc/13/59/88/502135988.db2.gz MHVWCRURDSTNFS-SAPNQHFASA-N 3 2 372.513 3.146 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000469769916 502539258 /nfs/dbraw/zinc/53/92/58/502539258.db2.gz RNWXPHXSBDYJAC-WMLDXEAASA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000469769916 502539262 /nfs/dbraw/zinc/53/92/62/502539262.db2.gz RNWXPHXSBDYJAC-WMLDXEAASA-N 2 2 369.893 3.475 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962043 506366430 /nfs/dbraw/zinc/36/64/30/506366430.db2.gz FJYZKNZCTYNFTE-HXUWFJFHSA-N 2 2 366.421 3.086 20 5 FGBDLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000507916963 503396036 /nfs/dbraw/zinc/39/60/36/503396036.db2.gz FZYOTLXIXDETGF-HUUCEWRRSA-N 2 2 365.449 3.055 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600201466 506840708 /nfs/dbraw/zinc/84/07/08/506840708.db2.gz MUEABLLPQRNWMJ-VKAVYKQESA-N 2 2 359.470 3.185 20 5 FGBDLP Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609595646 506938703 /nfs/dbraw/zinc/93/87/03/506938703.db2.gz WLRSSUOFJIWAAV-MRXNPFEDSA-N 2 2 355.442 3.327 20 5 FGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000594739863 507262928 /nfs/dbraw/zinc/26/29/28/507262928.db2.gz ZUQFOIAPTFDGQV-ZSKSOVMSSA-N 2 2 355.413 3.482 20 5 FGBDLP Cn1cc[nH+]c1C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602563349 507750018 /nfs/dbraw/zinc/75/00/18/507750018.db2.gz BKPQUMUZYMCHIO-IBGZPJMESA-N 2 2 350.422 3.444 20 5 FGBDLP CC(C)[NH+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000074329484 494521089 /nfs/dbraw/zinc/52/10/89/494521089.db2.gz KQTURGWKEDCNDS-UHFFFAOYSA-N 2 2 373.457 3.019 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CCC([NH+](C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000091670539 494641510 /nfs/dbraw/zinc/64/15/10/494641510.db2.gz RMYOEFICYQNTCZ-UHFFFAOYSA-N 2 2 359.426 3.389 20 5 FGBDLP C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696357 495684167 /nfs/dbraw/zinc/68/41/67/495684167.db2.gz ICDQYBPEKTVMFC-ZIAGYGMSSA-N 2 2 358.442 3.479 20 5 FGBDLP C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696357 495684173 /nfs/dbraw/zinc/68/41/73/495684173.db2.gz ICDQYBPEKTVMFC-ZIAGYGMSSA-N 2 2 358.442 3.479 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000151480681 495853495 /nfs/dbraw/zinc/85/34/95/495853495.db2.gz WUYCYJCPYJKLCG-GOSISDBHSA-N 2 2 363.421 3.286 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156433644 496244773 /nfs/dbraw/zinc/24/47/73/496244773.db2.gz VCBNABFCPZEBHW-RDTXWAMCSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156433644 496244777 /nfs/dbraw/zinc/24/47/77/496244777.db2.gz VCBNABFCPZEBHW-RDTXWAMCSA-N 2 2 371.441 3.011 20 5 FGBDLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405408 496370476 /nfs/dbraw/zinc/37/04/76/496370476.db2.gz DWEQPCFRIKBEAK-ZIAGYGMSSA-N 2 2 365.449 3.485 20 5 FGBDLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405408 496370481 /nfs/dbraw/zinc/37/04/81/496370481.db2.gz DWEQPCFRIKBEAK-ZIAGYGMSSA-N 2 2 365.449 3.485 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578450670 505943119 /nfs/dbraw/zinc/94/31/19/505943119.db2.gz IHMCHFLZFIDCHN-OAHLLOKOSA-N 2 2 367.409 3.015 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578450670 505943124 /nfs/dbraw/zinc/94/31/24/505943124.db2.gz IHMCHFLZFIDCHN-OAHLLOKOSA-N 2 2 367.409 3.015 20 5 FGBDLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000365819628 498653988 /nfs/dbraw/zinc/65/39/88/498653988.db2.gz JTTAVFJSGBCWEK-APWZRJJASA-N 2 2 370.409 3.286 20 5 FGBDLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000365819628 498653995 /nfs/dbraw/zinc/65/39/95/498653995.db2.gz JTTAVFJSGBCWEK-APWZRJJASA-N 2 2 370.409 3.286 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000570162907 506105297 /nfs/dbraw/zinc/10/52/97/506105297.db2.gz UNBUIMXSUQYLQP-GOSISDBHSA-N 2 2 358.467 3.294 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000570162907 506105300 /nfs/dbraw/zinc/10/53/00/506105300.db2.gz UNBUIMXSUQYLQP-GOSISDBHSA-N 2 2 358.467 3.294 20 5 FGBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000573068212 506110495 /nfs/dbraw/zinc/11/04/95/506110495.db2.gz CZQLKNUIRTXOFK-NEWSRXKRSA-N 2 2 371.485 3.385 20 5 FGBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000573068212 506110499 /nfs/dbraw/zinc/11/04/99/506110499.db2.gz CZQLKNUIRTXOFK-NEWSRXKRSA-N 2 2 371.485 3.385 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000371313343 499309171 /nfs/dbraw/zinc/30/91/71/499309171.db2.gz KZYHIFVQVHLJIK-CQSZACIVSA-N 2 2 367.409 3.425 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)co2)cc1 ZINC000372385849 499427047 /nfs/dbraw/zinc/42/70/47/499427047.db2.gz RKDCLIUNOKNBHK-LZQZEXGQSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)co2)cc1 ZINC000372385849 499427048 /nfs/dbraw/zinc/42/70/48/499427048.db2.gz RKDCLIUNOKNBHK-LZQZEXGQSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)co2)cc1 ZINC000372385849 499427049 /nfs/dbraw/zinc/42/70/49/499427049.db2.gz RKDCLIUNOKNBHK-LZQZEXGQSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)co2)cc1 ZINC000372385849 499427050 /nfs/dbraw/zinc/42/70/50/499427050.db2.gz RKDCLIUNOKNBHK-LZQZEXGQSA-N 2 2 368.437 3.166 20 5 FGBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425422324 500100980 /nfs/dbraw/zinc/10/09/80/500100980.db2.gz MXTIECVTMOAECT-UHFFFAOYSA-N 2 2 356.264 3.273 20 5 FGBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425422324 500100982 /nfs/dbraw/zinc/10/09/82/500100982.db2.gz MXTIECVTMOAECT-UHFFFAOYSA-N 2 2 356.264 3.273 20 5 FGBDLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423292548 500361902 /nfs/dbraw/zinc/36/19/02/500361902.db2.gz NHLHOGCRLCMXHH-KUHUBIRLSA-N 2 2 365.437 3.227 20 5 FGBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000432362803 500505020 /nfs/dbraw/zinc/50/50/20/500505020.db2.gz PETCAIPXFIFOJE-INIZCTEOSA-N 2 2 373.453 3.445 20 5 FGBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000432362803 500505022 /nfs/dbraw/zinc/50/50/22/500505022.db2.gz PETCAIPXFIFOJE-INIZCTEOSA-N 2 2 373.453 3.445 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976253 500545906 /nfs/dbraw/zinc/54/59/06/500545906.db2.gz GOVZYALHHUJNQI-KRWDZBQOSA-N 2 2 360.502 3.148 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976253 500545909 /nfs/dbraw/zinc/54/59/09/500545909.db2.gz GOVZYALHHUJNQI-KRWDZBQOSA-N 2 2 360.502 3.148 20 5 FGBDLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447510423 500614694 /nfs/dbraw/zinc/61/46/94/500614694.db2.gz PENHWFGOZQRBIN-OKZBNKHCSA-N 2 2 357.458 3.168 20 5 FGBDLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598998048 506270235 /nfs/dbraw/zinc/27/02/35/506270235.db2.gz DBJPXVGEFLVTJQ-LJQANCHMSA-N 2 2 369.469 3.102 20 5 FGBDLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598998048 506270240 /nfs/dbraw/zinc/27/02/40/506270240.db2.gz DBJPXVGEFLVTJQ-LJQANCHMSA-N 2 2 369.469 3.102 20 5 FGBDLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000471021214 501892802 /nfs/dbraw/zinc/89/28/02/501892802.db2.gz ITXRVHZEKYXRAH-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000471021214 501892808 /nfs/dbraw/zinc/89/28/08/501892808.db2.gz ITXRVHZEKYXRAH-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000471021214 501892815 /nfs/dbraw/zinc/89/28/15/501892815.db2.gz ITXRVHZEKYXRAH-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000471021214 501892819 /nfs/dbraw/zinc/89/28/19/501892819.db2.gz ITXRVHZEKYXRAH-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000538724685 504345154 /nfs/dbraw/zinc/34/51/54/504345154.db2.gz WPFNGKJKIKBXAB-ALCCZGGFSA-N 2 2 372.513 3.098 20 5 FGBDLP CC(C)[NH+]1CCC([NH+]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000538724685 504345157 /nfs/dbraw/zinc/34/51/57/504345157.db2.gz WPFNGKJKIKBXAB-ALCCZGGFSA-N 2 2 372.513 3.098 20 5 FGBDLP CCC1([NH+]2CCOCC2)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000600209651 506847680 /nfs/dbraw/zinc/84/76/80/506847680.db2.gz XVTJIHBCJHCYFZ-ALCCZGGFSA-N 2 2 359.470 3.185 20 5 FGBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000591275512 507178241 /nfs/dbraw/zinc/17/82/41/507178241.db2.gz SOPRFZXHYOCNJP-QGZVFWFLSA-N 2 2 371.437 3.279 20 5 FGBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4c3cccc4[N+](=O)[O-])[nH+]c2)C1 ZINC000584361149 507302010 /nfs/dbraw/zinc/30/20/10/507302010.db2.gz DUFXEWKBSMQDBI-QAPCUYQASA-N 2 2 367.453 3.230 20 5 FGBDLP Cn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268133 507591858 /nfs/dbraw/zinc/59/18/58/507591858.db2.gz QNQBACKXKBJPBP-SFHVURJKSA-N 2 2 366.425 3.029 20 5 FGBDLP Cn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268133 507591861 /nfs/dbraw/zinc/59/18/61/507591861.db2.gz QNQBACKXKBJPBP-SFHVURJKSA-N 2 2 366.425 3.029 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740627 507640877 /nfs/dbraw/zinc/64/08/77/507640877.db2.gz HFPIPIGFPDQHLR-MRXNPFEDSA-N 2 2 356.426 3.126 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740627 507640882 /nfs/dbraw/zinc/64/08/82/507640882.db2.gz HFPIPIGFPDQHLR-MRXNPFEDSA-N 2 2 356.426 3.126 20 5 FGBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865535481 733222539 /nfs/dbraw/zinc/22/25/39/733222539.db2.gz MVJBJUSIQQMADW-GFCCVEGCSA-N 2 2 354.401 3.113 20 5 FGBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865535481 733222544 /nfs/dbraw/zinc/22/25/44/733222544.db2.gz MVJBJUSIQQMADW-GFCCVEGCSA-N 2 2 354.401 3.113 20 5 FGBDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872028724 735579200 /nfs/dbraw/zinc/57/92/00/735579200.db2.gz SLGLIIWJOJUBSI-CYBMUJFWSA-N 2 2 353.488 3.078 20 5 FGBDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000093644067 494906445 /nfs/dbraw/zinc/90/64/45/494906445.db2.gz AIEMDAOJLBYAED-DGCLKSJQSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000093644067 494906447 /nfs/dbraw/zinc/90/64/47/494906447.db2.gz AIEMDAOJLBYAED-DGCLKSJQSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH+]1C ZINC000093644067 494906449 /nfs/dbraw/zinc/90/64/49/494906449.db2.gz AIEMDAOJLBYAED-DGCLKSJQSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH+]1C ZINC000093644067 494906451 /nfs/dbraw/zinc/90/64/51/494906451.db2.gz AIEMDAOJLBYAED-DGCLKSJQSA-N 2 2 356.264 3.272 20 5 FGBDLP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000045806553 494465110 /nfs/dbraw/zinc/46/51/10/494465110.db2.gz GERIBNCJRILURM-UHFFFAOYSA-N 2 2 374.485 3.121 20 5 FGBDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092664719 494702866 /nfs/dbraw/zinc/70/28/66/494702866.db2.gz WFPKICBWJCLKFN-GGUXULKNSA-N 2 2 372.513 3.098 20 5 FGBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000278680310 497187440 /nfs/dbraw/zinc/18/74/40/497187440.db2.gz MAFLGVWXMARHCT-UHFFFAOYSA-N 2 2 365.437 3.225 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272558444 497662873 /nfs/dbraw/zinc/66/28/73/497662873.db2.gz SSYCDXNXZIJQNB-SFHVURJKSA-N 2 2 371.485 3.272 20 5 FGBDLP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000364035052 499094621 /nfs/dbraw/zinc/09/46/21/499094621.db2.gz PNJUMVGNKMRPFN-UHFFFAOYSA-N 2 2 372.444 3.268 20 5 FGBDLP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000364035052 499094626 /nfs/dbraw/zinc/09/46/26/499094626.db2.gz PNJUMVGNKMRPFN-UHFFFAOYSA-N 2 2 372.444 3.268 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000377947976 499750307 /nfs/dbraw/zinc/75/03/07/499750307.db2.gz IJABFBJUHYJWMD-QOKNQOGYSA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000377947976 499750309 /nfs/dbraw/zinc/75/03/09/499750309.db2.gz IJABFBJUHYJWMD-QOKNQOGYSA-N 2 2 357.458 3.062 20 5 FGBDLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417308229 500036294 /nfs/dbraw/zinc/03/62/94/500036294.db2.gz HQZKHLDMMLJRNB-UYAOXDASSA-N 2 2 361.486 3.045 20 5 FGBDLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417308227 500036712 /nfs/dbraw/zinc/03/67/12/500036712.db2.gz HQZKHLDMMLJRNB-ICSRJNTNSA-N 2 2 361.486 3.045 20 5 FGBDLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423579157 500386282 /nfs/dbraw/zinc/38/62/82/500386282.db2.gz VUINHNYLPNROIV-QGZVFWFLSA-N 3 2 368.481 3.239 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030747 501240525 /nfs/dbraw/zinc/24/05/25/501240525.db2.gz UOYOCDPNGFZAQC-LSDHHAIUSA-N 2 2 356.426 3.270 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030747 501240526 /nfs/dbraw/zinc/24/05/26/501240526.db2.gz UOYOCDPNGFZAQC-LSDHHAIUSA-N 2 2 356.426 3.270 20 5 FGBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)n1 ZINC000472615112 502401397 /nfs/dbraw/zinc/40/13/97/502401397.db2.gz ZBRZCIOIZNVYLL-WMZOPIPTSA-N 2 2 366.425 3.251 20 5 FGBDLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181238 502594577 /nfs/dbraw/zinc/59/45/77/502594577.db2.gz VTNBRWZHDZGLTB-LAUBAEHRSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181238 502594584 /nfs/dbraw/zinc/59/45/84/502594584.db2.gz VTNBRWZHDZGLTB-LAUBAEHRSA-N 2 2 369.465 3.191 20 5 FGBDLP COc1cc[nH+]c(N2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000470172216 502693072 /nfs/dbraw/zinc/69/30/72/502693072.db2.gz TUSOUSKUEOJTSX-FOWTUZBSSA-N 2 2 368.437 3.224 20 5 FGBDLP CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+]1CCCC1 ZINC000480922600 502705797 /nfs/dbraw/zinc/70/57/97/502705797.db2.gz BPCPDJCBPKUCIW-UHFFFAOYSA-N 2 2 357.401 3.408 20 5 FGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000504894015 502820162 /nfs/dbraw/zinc/82/01/62/502820162.db2.gz JFYMZRIZNMWXRP-PBHICJAKSA-N 2 2 369.556 3.492 20 5 FGBDLP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000566316456 505143155 /nfs/dbraw/zinc/14/31/55/505143155.db2.gz AEADHFHHBZPVKS-UHFFFAOYSA-N 2 2 359.426 3.055 20 5 FGBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000566475612 505185241 /nfs/dbraw/zinc/18/52/41/505185241.db2.gz NGEVYKBYYQMINX-LJQANCHMSA-N 2 2 352.438 3.231 20 5 FGBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971485 497587332 /nfs/dbraw/zinc/58/73/32/497587332.db2.gz OCWDQURQZFJXKL-LEWJYISDSA-N 2 2 369.465 3.385 20 5 FGBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971485 497587335 /nfs/dbraw/zinc/58/73/35/497587335.db2.gz OCWDQURQZFJXKL-LEWJYISDSA-N 2 2 369.465 3.385 20 5 FGBDLP COc1ccc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000576388821 506145996 /nfs/dbraw/zinc/14/59/96/506145996.db2.gz NGGFEAJHRQWOGB-PMACEKPBSA-N 2 2 371.437 3.065 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000423322265 500363996 /nfs/dbraw/zinc/36/39/96/500363996.db2.gz GIOUIWCLYLKQCS-YSSFQJQWSA-N 2 2 369.465 3.270 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444703135 500883316 /nfs/dbraw/zinc/88/33/16/500883316.db2.gz JLRRUBQLDSATJD-UHFFFAOYSA-N 2 2 356.430 3.142 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444703135 500883318 /nfs/dbraw/zinc/88/33/18/500883318.db2.gz JLRRUBQLDSATJD-UHFFFAOYSA-N 2 2 356.430 3.142 20 5 FGBDLP Cc1cc(NCC2CC[NH+](C3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000444867598 500913542 /nfs/dbraw/zinc/91/35/42/500913542.db2.gz FLMQLLUTIBSNIN-UHFFFAOYSA-N 2 2 367.453 3.068 20 5 FGBDLP Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000485199962 501753101 /nfs/dbraw/zinc/75/31/01/501753101.db2.gz UDDMNGYDVVHXRU-UHFFFAOYSA-N 2 2 367.453 3.425 20 5 FGBDLP Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000485199962 501753106 /nfs/dbraw/zinc/75/31/06/501753106.db2.gz UDDMNGYDVVHXRU-UHFFFAOYSA-N 2 2 367.453 3.425 20 5 FGBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602724032 506273994 /nfs/dbraw/zinc/27/39/94/506273994.db2.gz PKLGQOUXEUGVHN-SNVBAGLBSA-N 2 2 362.293 3.240 20 5 FGBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602724032 506274002 /nfs/dbraw/zinc/27/40/02/506274002.db2.gz PKLGQOUXEUGVHN-SNVBAGLBSA-N 2 2 362.293 3.240 20 5 FGBDLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000479905747 502414772 /nfs/dbraw/zinc/41/47/72/502414772.db2.gz TUMFQBIYVUYWRY-MRXNPFEDSA-N 2 2 355.438 3.278 20 5 FGBDLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181240 502594700 /nfs/dbraw/zinc/59/47/00/502594700.db2.gz VTNBRWZHDZGLTB-UWJYYQICSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181240 502594703 /nfs/dbraw/zinc/59/47/03/502594703.db2.gz VTNBRWZHDZGLTB-UWJYYQICSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000469982783 502618226 /nfs/dbraw/zinc/61/82/26/502618226.db2.gz FIXNQFMVHLIYNU-HNAYVOBHSA-N 2 2 354.454 3.298 20 5 FGBDLP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000469982783 502618230 /nfs/dbraw/zinc/61/82/30/502618230.db2.gz FIXNQFMVHLIYNU-HNAYVOBHSA-N 2 2 354.454 3.298 20 5 FGBDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000498882225 503282175 /nfs/dbraw/zinc/28/21/75/503282175.db2.gz XAFMOEVPSHHIDD-SFHVURJKSA-N 2 2 361.486 3.418 20 5 FGBDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000498882225 503282178 /nfs/dbraw/zinc/28/21/78/503282178.db2.gz XAFMOEVPSHHIDD-SFHVURJKSA-N 2 2 361.486 3.418 20 5 FGBDLP Cc1cn2c([nH+]1)[C@H](CNc1cc(C)[nH+]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000543051013 504705175 /nfs/dbraw/zinc/70/51/75/504705175.db2.gz PESWGSJLMLTQST-AWEZNQCLSA-N 2 2 351.410 3.368 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060709 504709002 /nfs/dbraw/zinc/70/90/02/504709002.db2.gz ODJDNPSTEODGPC-UHFFFAOYSA-N 2 2 358.442 3.492 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214985 506654183 /nfs/dbraw/zinc/65/41/83/506654183.db2.gz WXBUMVOTDYEGNT-GOSISDBHSA-N 2 2 361.486 3.405 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214985 506654202 /nfs/dbraw/zinc/65/42/02/506654202.db2.gz WXBUMVOTDYEGNT-GOSISDBHSA-N 2 2 361.486 3.405 20 5 FGBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])[nH+]c2)C1 ZINC000584361148 507303141 /nfs/dbraw/zinc/30/31/41/507303141.db2.gz DUFXEWKBSMQDBI-MAUKXSAKSA-N 2 2 367.453 3.230 20 5 FGBDLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872030301 735579238 /nfs/dbraw/zinc/57/92/38/735579238.db2.gz CLKWYUSIWUDCEU-AWEZNQCLSA-N 2 2 367.515 3.468 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000050954370 493939341 /nfs/dbraw/zinc/93/93/41/493939341.db2.gz ZXKKTKFPDKNZPX-UHFFFAOYSA-N 2 2 352.866 3.219 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000078421126 494294843 /nfs/dbraw/zinc/29/48/43/494294843.db2.gz TYBGVOLSVDZQCW-UHFFFAOYSA-N 2 2 351.410 3.349 20 5 FGBDLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000093299408 494862812 /nfs/dbraw/zinc/86/28/12/494862812.db2.gz SCWDWMGFMWYJFD-UHFFFAOYSA-N 2 2 368.441 3.041 20 5 FGBDLP CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564600 494901632 /nfs/dbraw/zinc/90/16/32/494901632.db2.gz PSJJBWJXKJBYSW-UHFFFAOYSA-N 2 2 370.453 3.434 20 5 FGBDLP CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564600 494901637 /nfs/dbraw/zinc/90/16/37/494901637.db2.gz PSJJBWJXKJBYSW-UHFFFAOYSA-N 2 2 370.453 3.434 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150763960 495626871 /nfs/dbraw/zinc/62/68/71/495626871.db2.gz CKBFLLPIKLZUSX-HUUCEWRRSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150763960 495626877 /nfs/dbraw/zinc/62/68/77/495626877.db2.gz CKBFLLPIKLZUSX-HUUCEWRRSA-N 2 2 371.441 3.124 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156433512 496244935 /nfs/dbraw/zinc/24/49/35/496244935.db2.gz VCBNABFCPZEBHW-KBXCAEBGSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156433512 496244942 /nfs/dbraw/zinc/24/49/42/496244942.db2.gz VCBNABFCPZEBHW-KBXCAEBGSA-N 2 2 371.441 3.011 20 5 FGBDLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405424 496370667 /nfs/dbraw/zinc/37/06/67/496370667.db2.gz DWEQPCFRIKBEAK-KBPBESRZSA-N 2 2 365.449 3.485 20 5 FGBDLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405424 496370671 /nfs/dbraw/zinc/37/06/71/496370671.db2.gz DWEQPCFRIKBEAK-KBPBESRZSA-N 2 2 365.449 3.485 20 5 FGBDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163743830 496553491 /nfs/dbraw/zinc/55/34/91/496553491.db2.gz ZLNAYQHDIIIPAC-INIZCTEOSA-N 2 2 355.438 3.278 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247730287 496910765 /nfs/dbraw/zinc/91/07/65/496910765.db2.gz VCBNABFCPZEBHW-KSSFIOAISA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247730287 496910768 /nfs/dbraw/zinc/91/07/68/496910768.db2.gz VCBNABFCPZEBHW-KSSFIOAISA-N 2 2 371.441 3.011 20 5 FGBDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278976050 497288440 /nfs/dbraw/zinc/28/84/40/497288440.db2.gz OEMPIXZMYJLGDG-YJLNNSPDSA-N 2 2 356.426 3.216 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000245523739 497439982 /nfs/dbraw/zinc/43/99/82/497439982.db2.gz NCIDZMTUIYZJNF-QRVBRYPASA-N 2 2 374.529 3.455 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000332316077 498646542 /nfs/dbraw/zinc/64/65/42/498646542.db2.gz NXLRDDUXYROKQD-FGTMMUONSA-N 2 2 360.502 3.146 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000332316077 498646548 /nfs/dbraw/zinc/64/65/48/498646548.db2.gz NXLRDDUXYROKQD-FGTMMUONSA-N 2 2 360.502 3.146 20 5 FGBDLP Cn1cc([C@@H]2[C@@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000363176687 498689149 /nfs/dbraw/zinc/68/91/49/498689149.db2.gz LNIIAVCYMIBRRJ-IFKDRHBRSA-N 2 2 369.469 3.014 20 5 FGBDLP Cn1cc([C@@H]2[C@@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000363176687 498689157 /nfs/dbraw/zinc/68/91/57/498689157.db2.gz LNIIAVCYMIBRRJ-IFKDRHBRSA-N 2 2 369.469 3.014 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)co2)cc1 ZINC000372385852 499427156 /nfs/dbraw/zinc/42/71/56/499427156.db2.gz RKDCLIUNOKNBHK-MNEFBYGVSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)co2)cc1 ZINC000372385852 499427158 /nfs/dbraw/zinc/42/71/58/499427158.db2.gz RKDCLIUNOKNBHK-MNEFBYGVSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)co2)cc1 ZINC000372385852 499427159 /nfs/dbraw/zinc/42/71/59/499427159.db2.gz RKDCLIUNOKNBHK-MNEFBYGVSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)co2)cc1 ZINC000372385852 499427161 /nfs/dbraw/zinc/42/71/61/499427161.db2.gz RKDCLIUNOKNBHK-MNEFBYGVSA-N 2 2 368.437 3.166 20 5 FGBDLP Cc1c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000375779986 499555086 /nfs/dbraw/zinc/55/50/86/499555086.db2.gz NLTIJUCVIISZRH-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP Cc1c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000375779986 499555087 /nfs/dbraw/zinc/55/50/87/499555087.db2.gz NLTIJUCVIISZRH-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP Cc1c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000375779986 499555090 /nfs/dbraw/zinc/55/50/90/499555090.db2.gz NLTIJUCVIISZRH-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000414876812 499840521 /nfs/dbraw/zinc/84/05/21/499840521.db2.gz DYQZJPIJEYJZPZ-VQTJNVASSA-N 2 2 355.438 3.147 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000413155531 499920370 /nfs/dbraw/zinc/92/03/70/499920370.db2.gz MORUNWZBBONBOV-CQSZACIVSA-N 2 2 356.426 3.056 20 5 FGBDLP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413182171 499923460 /nfs/dbraw/zinc/92/34/60/499923460.db2.gz KDVVALXLEOCYKZ-KRWDZBQOSA-N 2 2 358.442 3.080 20 5 FGBDLP CC[NH+]1CCC(N2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377866 500032817 /nfs/dbraw/zinc/03/28/17/500032817.db2.gz SGLJWDBVOGKBSO-VMPITWQZSA-N 2 2 372.513 3.100 20 5 FGBDLP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377866 500032820 /nfs/dbraw/zinc/03/28/20/500032820.db2.gz SGLJWDBVOGKBSO-VMPITWQZSA-N 2 2 372.513 3.100 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377866 500032822 /nfs/dbraw/zinc/03/28/22/500032822.db2.gz SGLJWDBVOGKBSO-VMPITWQZSA-N 2 2 372.513 3.100 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377866 500032825 /nfs/dbraw/zinc/03/28/25/500032825.db2.gz SGLJWDBVOGKBSO-VMPITWQZSA-N 2 2 372.513 3.100 20 5 FGBDLP COc1ccc([C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423013515 500331011 /nfs/dbraw/zinc/33/10/11/500331011.db2.gz NAERBFSMGXHOJX-VQTJNVASSA-N 2 2 355.438 3.229 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423340768 500365546 /nfs/dbraw/zinc/36/55/46/500365546.db2.gz TXZBVXRYQVNQQJ-UAOJZALGSA-N 2 2 355.438 3.400 20 5 FGBDLP COc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435372866 500961584 /nfs/dbraw/zinc/96/15/84/500961584.db2.gz LFHQIFDURNWVNH-GOSISDBHSA-N 2 2 371.437 3.106 20 5 FGBDLP COc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435372866 500961585 /nfs/dbraw/zinc/96/15/85/500961585.db2.gz LFHQIFDURNWVNH-GOSISDBHSA-N 2 2 371.437 3.106 20 5 FGBDLP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435397129 500967444 /nfs/dbraw/zinc/96/74/44/500967444.db2.gz CTKMCAFTLAFWBV-UHFFFAOYSA-N 2 2 371.437 3.106 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000451103578 501245948 /nfs/dbraw/zinc/24/59/48/501245948.db2.gz HYNXJCMKUSRNCB-YJBOKZPZSA-N 2 2 368.437 3.273 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602663680 506251920 /nfs/dbraw/zinc/25/19/20/506251920.db2.gz BKJBTJMFKZRISS-VIFPVBQESA-N 2 2 371.260 3.142 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602663680 506251926 /nfs/dbraw/zinc/25/19/26/506251926.db2.gz BKJBTJMFKZRISS-VIFPVBQESA-N 2 2 371.260 3.142 20 5 FGBDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847873 501890101 /nfs/dbraw/zinc/89/01/01/501890101.db2.gz AKYPFFIKQNJDSD-SCWSEQNSSA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847873 501890106 /nfs/dbraw/zinc/89/01/06/501890106.db2.gz AKYPFFIKQNJDSD-SCWSEQNSSA-N 2 2 369.465 3.128 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000479961765 502431243 /nfs/dbraw/zinc/43/12/43/502431243.db2.gz JKUDUSWJPRYLOZ-GASCZTMLSA-N 2 2 357.385 3.177 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000479961765 502431246 /nfs/dbraw/zinc/43/12/46/502431246.db2.gz JKUDUSWJPRYLOZ-GASCZTMLSA-N 2 2 357.385 3.177 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000470171046 502692576 /nfs/dbraw/zinc/69/25/76/502692576.db2.gz DTWFVTTYMCKLHM-TVADFSRQSA-N 2 2 372.513 3.100 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000470171046 502692578 /nfs/dbraw/zinc/69/25/78/502692578.db2.gz DTWFVTTYMCKLHM-TVADFSRQSA-N 2 2 372.513 3.100 20 5 FGBDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000538557905 504284350 /nfs/dbraw/zinc/28/43/50/504284350.db2.gz SIWXKEPOKKJTBG-KSSFIOAISA-N 2 2 355.442 3.303 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556893744 505008923 /nfs/dbraw/zinc/00/89/23/505008923.db2.gz XNNFBKSMVMUXOK-SFHVURJKSA-N 2 2 371.485 3.129 20 5 FGBDLP CCC(CC)[C@H](CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000552038097 505377824 /nfs/dbraw/zinc/37/78/24/505377824.db2.gz NPCFGWYHXPZWPE-RBUKOAKNSA-N 2 2 373.501 3.374 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595081619 507382682 /nfs/dbraw/zinc/38/26/82/507382682.db2.gz SZFVXNPKFLZCSA-NVXWUHKLSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595081619 507382687 /nfs/dbraw/zinc/38/26/87/507382687.db2.gz SZFVXNPKFLZCSA-NVXWUHKLSA-N 2 2 374.485 3.309 20 5 FGBDLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092648366 494693435 /nfs/dbraw/zinc/69/34/35/494693435.db2.gz CEBCNPRGHMPNPG-UHFFFAOYSA-N 2 2 366.425 3.029 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000129549484 495261360 /nfs/dbraw/zinc/26/13/60/495261360.db2.gz FLEOTAPVTISJJW-DHSIGJKJSA-N 2 2 371.441 3.010 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000129549484 495261365 /nfs/dbraw/zinc/26/13/65/495261365.db2.gz FLEOTAPVTISJJW-DHSIGJKJSA-N 2 2 371.441 3.010 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265446673 497122093 /nfs/dbraw/zinc/12/20/93/497122093.db2.gz BDCPUMKHFPXEHT-LBPRGKRZSA-N 2 2 368.397 3.309 20 5 FGBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278511117 497140117 /nfs/dbraw/zinc/14/01/17/497140117.db2.gz BJBHMBADHYKAJP-UHFFFAOYSA-N 2 2 353.220 3.076 20 5 FGBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278511117 497140123 /nfs/dbraw/zinc/14/01/23/497140123.db2.gz BJBHMBADHYKAJP-UHFFFAOYSA-N 2 2 353.220 3.076 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252652951 497315376 /nfs/dbraw/zinc/31/53/76/497315376.db2.gz RGXLBYSZGOYWOS-UKPHBRMFSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252652951 497315378 /nfs/dbraw/zinc/31/53/78/497315378.db2.gz RGXLBYSZGOYWOS-UKPHBRMFSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252652951 497315382 /nfs/dbraw/zinc/31/53/82/497315382.db2.gz RGXLBYSZGOYWOS-UKPHBRMFSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252652951 497315386 /nfs/dbraw/zinc/31/53/86/497315386.db2.gz RGXLBYSZGOYWOS-UKPHBRMFSA-N 2 2 371.441 3.122 20 5 FGBDLP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267250033 497510806 /nfs/dbraw/zinc/51/08/06/497510806.db2.gz OABDCLJUTPPHQJ-HNNXBMFYSA-N 2 2 355.442 3.138 20 5 FGBDLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267250033 497510811 /nfs/dbraw/zinc/51/08/11/497510811.db2.gz OABDCLJUTPPHQJ-HNNXBMFYSA-N 2 2 355.442 3.138 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000246525352 497763408 /nfs/dbraw/zinc/76/34/08/497763408.db2.gz JCFDHCUQUIFYDH-SUMWQHHRSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000246525352 497763411 /nfs/dbraw/zinc/76/34/11/497763411.db2.gz JCFDHCUQUIFYDH-SUMWQHHRSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000246525352 497763415 /nfs/dbraw/zinc/76/34/15/497763415.db2.gz JCFDHCUQUIFYDH-SUMWQHHRSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000246525352 497763419 /nfs/dbraw/zinc/76/34/19/497763419.db2.gz JCFDHCUQUIFYDH-SUMWQHHRSA-N 2 2 356.426 3.185 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369589682 499423558 /nfs/dbraw/zinc/42/35/58/499423558.db2.gz AVYIIWNNONDVMS-CXAGYDPISA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369589682 499423561 /nfs/dbraw/zinc/42/35/61/499423561.db2.gz AVYIIWNNONDVMS-CXAGYDPISA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000377785976 499733129 /nfs/dbraw/zinc/73/31/29/499733129.db2.gz GSINDTURGUSNSO-UGSOOPFHSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000377785976 499733131 /nfs/dbraw/zinc/73/31/31/499733131.db2.gz GSINDTURGUSNSO-UGSOOPFHSA-N 2 2 360.483 3.360 20 5 FGBDLP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414790758 499831558 /nfs/dbraw/zinc/83/15/58/499831558.db2.gz GTPUEOGVRZCYBZ-KRWDZBQOSA-N 2 2 373.453 3.255 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000413155530 499920216 /nfs/dbraw/zinc/92/02/16/499920216.db2.gz MORUNWZBBONBOV-AWEZNQCLSA-N 2 2 356.426 3.056 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2c1 ZINC000413192880 499925250 /nfs/dbraw/zinc/92/52/50/499925250.db2.gz JRDGEFDUWOBAKE-OALUTQOASA-N 2 2 370.453 3.323 20 5 FGBDLP COc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422744743 500293206 /nfs/dbraw/zinc/29/32/06/500293206.db2.gz UCRFMDYSSOOCFO-UXHICEINSA-N 2 2 355.438 3.229 20 5 FGBDLP Cc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420253454 500428998 /nfs/dbraw/zinc/42/89/98/500428998.db2.gz DPKDYKSHWQGVBC-KRWDZBQOSA-N 2 2 367.453 3.186 20 5 FGBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000447554239 500623470 /nfs/dbraw/zinc/62/34/70/500623470.db2.gz ZQLHDGIWEXYCCB-IRXDYDNUSA-N 2 2 368.441 3.374 20 5 FGBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602724030 506273793 /nfs/dbraw/zinc/27/37/93/506273793.db2.gz PKLGQOUXEUGVHN-JTQLQIEISA-N 2 2 362.293 3.240 20 5 FGBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602724030 506273803 /nfs/dbraw/zinc/27/38/03/506273803.db2.gz PKLGQOUXEUGVHN-JTQLQIEISA-N 2 2 362.293 3.240 20 5 FGBDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000468555245 502103869 /nfs/dbraw/zinc/10/38/69/502103869.db2.gz PQFZKEFZJPPXLZ-INIZCTEOSA-N 2 2 363.502 3.395 20 5 FGBDLP O=[N+]([O-])c1c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc2c[nH+]ccc21 ZINC000599053972 506296681 /nfs/dbraw/zinc/29/66/81/506296681.db2.gz BLFFWJRBYYLAMO-RTBURBONSA-N 2 2 370.453 3.323 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000599063599 506304614 /nfs/dbraw/zinc/30/46/14/506304614.db2.gz DOTVKVPRIFYVMX-KZNAEPCWSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000599063599 506304620 /nfs/dbraw/zinc/30/46/20/506304620.db2.gz DOTVKVPRIFYVMX-KZNAEPCWSA-N 2 2 361.490 3.272 20 5 FGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000504894017 502820187 /nfs/dbraw/zinc/82/01/87/502820187.db2.gz JFYMZRIZNMWXRP-WMLDXEAASA-N 2 2 369.556 3.492 20 5 FGBDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000538557906 504283995 /nfs/dbraw/zinc/28/39/95/504283995.db2.gz SIWXKEPOKKJTBG-RDTXWAMCSA-N 2 2 355.442 3.303 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000595013667 507353092 /nfs/dbraw/zinc/35/30/92/507353092.db2.gz RAAFANLDXOMDRW-HNNXBMFYSA-N 2 2 370.453 3.314 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809757867 725265667 /nfs/dbraw/zinc/26/56/67/725265667.db2.gz VCQHBAWPRPYSRL-LLVKDONJSA-N 2 2 365.231 3.080 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809757867 725265669 /nfs/dbraw/zinc/26/56/69/725265669.db2.gz VCQHBAWPRPYSRL-LLVKDONJSA-N 2 2 365.231 3.080 20 5 FGBDLP O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000929804929 760459925 /nfs/dbraw/zinc/45/99/25/760459925.db2.gz ZSBJDDGFOZVNKJ-UHFFFAOYSA-N 2 2 365.231 3.460 20 5 FGBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910011 494503199 /nfs/dbraw/zinc/50/31/99/494503199.db2.gz KILBOBUAJSCKNQ-UZLBHIALSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910011 494503203 /nfs/dbraw/zinc/50/32/03/494503203.db2.gz KILBOBUAJSCKNQ-UZLBHIALSA-N 2 2 354.454 3.033 20 5 FGBDLP Cc1ccc([C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000568620128 505738332 /nfs/dbraw/zinc/73/83/32/505738332.db2.gz CJRGHMYAFLCCRI-LJQANCHMSA-N 2 2 370.453 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794748 494919377 /nfs/dbraw/zinc/91/93/77/494919377.db2.gz RUWCSLSHEWYMFQ-ZDUSSCGKSA-N 2 2 368.397 3.239 20 5 FGBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000119866590 495258171 /nfs/dbraw/zinc/25/81/71/495258171.db2.gz DBDYFQLZGDKHRH-FCEWJHQRSA-N 2 2 361.486 3.005 20 5 FGBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000119866590 495258174 /nfs/dbraw/zinc/25/81/74/495258174.db2.gz DBDYFQLZGDKHRH-FCEWJHQRSA-N 2 2 361.486 3.005 20 5 FGBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000580694281 505815271 /nfs/dbraw/zinc/81/52/71/505815271.db2.gz MLOOAHQLRPUMCZ-MSOLQXFVSA-N 2 2 366.425 3.251 20 5 FGBDLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000180589222 496058180 /nfs/dbraw/zinc/05/81/80/496058180.db2.gz JQFJEWANHQXWOS-UTKZUKDTSA-N 2 2 369.465 3.242 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328996 496754097 /nfs/dbraw/zinc/75/40/97/496754097.db2.gz VIKZSTKIHPUUGT-LAUBAEHRSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328996 496754104 /nfs/dbraw/zinc/75/41/04/496754104.db2.gz VIKZSTKIHPUUGT-LAUBAEHRSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188328996 496754112 /nfs/dbraw/zinc/75/41/12/496754112.db2.gz VIKZSTKIHPUUGT-LAUBAEHRSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188328996 496754116 /nfs/dbraw/zinc/75/41/16/496754116.db2.gz VIKZSTKIHPUUGT-LAUBAEHRSA-N 2 2 369.465 3.225 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246849026 497816351 /nfs/dbraw/zinc/81/63/51/497816351.db2.gz OZNZRDPKZMWGPD-KXBFYZLASA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246849026 497816353 /nfs/dbraw/zinc/81/63/53/497816353.db2.gz OZNZRDPKZMWGPD-KXBFYZLASA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246849026 497816355 /nfs/dbraw/zinc/81/63/55/497816355.db2.gz OZNZRDPKZMWGPD-KXBFYZLASA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246849026 497816357 /nfs/dbraw/zinc/81/63/57/497816357.db2.gz OZNZRDPKZMWGPD-KXBFYZLASA-N 2 2 359.470 3.442 20 5 FGBDLP CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301474051 498126331 /nfs/dbraw/zinc/12/63/31/498126331.db2.gz RIPPEOAMHGDBJU-KRWDZBQOSA-N 2 2 355.442 3.281 20 5 FGBDLP C[NH+]1CCC(CNc2c(F)cc([N+](=O)[O-])cc2F)([NH+]2CCCCC2)CC1 ZINC000301795885 498267444 /nfs/dbraw/zinc/26/74/44/498267444.db2.gz QKXWPUXHOHPDMC-UHFFFAOYSA-N 2 2 368.428 3.235 20 5 FGBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282157592 498404657 /nfs/dbraw/zinc/40/46/57/498404657.db2.gz TZACIOLMKYCFEW-QFBILLFUSA-N 2 2 370.453 3.041 20 5 FGBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282157592 498404665 /nfs/dbraw/zinc/40/46/65/498404665.db2.gz TZACIOLMKYCFEW-QFBILLFUSA-N 2 2 370.453 3.041 20 5 FGBDLP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372518874 499137852 /nfs/dbraw/zinc/13/78/52/499137852.db2.gz WTTOHITUWGXWKE-ICSRJNTNSA-N 2 2 354.454 3.157 20 5 FGBDLP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372518874 499137853 /nfs/dbraw/zinc/13/78/53/499137853.db2.gz WTTOHITUWGXWKE-ICSRJNTNSA-N 2 2 354.454 3.157 20 5 FGBDLP C[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372518874 499137855 /nfs/dbraw/zinc/13/78/55/499137855.db2.gz WTTOHITUWGXWKE-ICSRJNTNSA-N 2 2 354.454 3.157 20 5 FGBDLP C[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372518874 499137857 /nfs/dbraw/zinc/13/78/57/499137857.db2.gz WTTOHITUWGXWKE-ICSRJNTNSA-N 2 2 354.454 3.157 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000371312188 499308856 /nfs/dbraw/zinc/30/88/56/499308856.db2.gz CIMUNKQEPSAWFL-CQSZACIVSA-N 2 2 367.409 3.425 20 5 FGBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC[NH+](Cc4cccs4)CC3)nc2c1 ZINC000373208934 499457492 /nfs/dbraw/zinc/45/74/92/499457492.db2.gz JDZHTFQEYPBVCT-UHFFFAOYSA-N 2 2 371.466 3.287 20 5 FGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415073056 499860950 /nfs/dbraw/zinc/86/09/50/499860950.db2.gz YXXOGZUEQPNALI-IFXJQAMLSA-N 2 2 370.453 3.164 20 5 FGBDLP CCc1ccc([C@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414121031 500159046 /nfs/dbraw/zinc/15/90/46/500159046.db2.gz FNLRWQXBOLEJDA-LJQANCHMSA-N 2 2 354.410 3.405 20 5 FGBDLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602587709 506224782 /nfs/dbraw/zinc/22/47/82/506224782.db2.gz SCLJVYGVSURVFO-UHFFFAOYSA-N 2 2 362.293 3.383 20 5 FGBDLP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435372446 500961448 /nfs/dbraw/zinc/96/14/48/500961448.db2.gz RGJSMSIXZAZZNV-VMZNBEPHSA-N 2 2 358.467 3.433 20 5 FGBDLP C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435372446 500961450 /nfs/dbraw/zinc/96/14/50/500961450.db2.gz RGJSMSIXZAZZNV-VMZNBEPHSA-N 2 2 358.467 3.433 20 5 FGBDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435375686 500963236 /nfs/dbraw/zinc/96/32/36/500963236.db2.gz NMYPLBJUUCTEGO-SNVBAGLBSA-N 2 2 368.231 3.396 20 5 FGBDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435375686 500963239 /nfs/dbraw/zinc/96/32/39/500963239.db2.gz NMYPLBJUUCTEGO-SNVBAGLBSA-N 2 2 368.231 3.396 20 5 FGBDLP Cc1ncsc1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000435427827 500973423 /nfs/dbraw/zinc/97/34/23/500973423.db2.gz NMTFYGJBUVQFLV-MQDFFIGUSA-N 2 2 372.494 3.485 20 5 FGBDLP Cc1ncsc1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000435427827 500973426 /nfs/dbraw/zinc/97/34/26/500973426.db2.gz NMTFYGJBUVQFLV-MQDFFIGUSA-N 2 2 372.494 3.485 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030746 501240647 /nfs/dbraw/zinc/24/06/47/501240647.db2.gz UOYOCDPNGFZAQC-HUUCEWRRSA-N 2 2 356.426 3.270 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030746 501240648 /nfs/dbraw/zinc/24/06/48/501240648.db2.gz UOYOCDPNGFZAQC-HUUCEWRRSA-N 2 2 356.426 3.270 20 5 FGBDLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181237 502594786 /nfs/dbraw/zinc/59/47/86/502594786.db2.gz VTNBRWZHDZGLTB-DYESRHJHSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181237 502594789 /nfs/dbraw/zinc/59/47/89/502594789.db2.gz VTNBRWZHDZGLTB-DYESRHJHSA-N 2 2 369.465 3.191 20 5 FGBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092557 503666460 /nfs/dbraw/zinc/66/64/60/503666460.db2.gz WZWGCGUGYRXQPE-KUHUBIRLSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092557 503666465 /nfs/dbraw/zinc/66/64/65/503666465.db2.gz WZWGCGUGYRXQPE-KUHUBIRLSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092557 503666468 /nfs/dbraw/zinc/66/64/68/503666468.db2.gz WZWGCGUGYRXQPE-KUHUBIRLSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092557 503666473 /nfs/dbraw/zinc/66/64/73/503666473.db2.gz WZWGCGUGYRXQPE-KUHUBIRLSA-N 2 2 371.437 3.389 20 5 FGBDLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531709762 504399458 /nfs/dbraw/zinc/39/94/58/504399458.db2.gz OZEVXVZORLTJJD-UWJYYQICSA-N 2 2 368.481 3.234 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000564666376 505486529 /nfs/dbraw/zinc/48/65/29/505486529.db2.gz GVGXVDCTKHYJFK-CVEARBPZSA-N 2 2 362.474 3.022 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cs2)c1 ZINC000591282877 507184726 /nfs/dbraw/zinc/18/47/26/507184726.db2.gz WGSUABWRDIXPKN-AWEZNQCLSA-N 2 2 358.467 3.483 20 5 FGBDLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000601113354 507264972 /nfs/dbraw/zinc/26/49/72/507264972.db2.gz DVFRNZBQRNGMGM-UHFFFAOYSA-N 2 2 367.409 3.070 20 5 FGBDLP C[C@H](c1nccs1)[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601143512 507275479 /nfs/dbraw/zinc/27/54/79/507275479.db2.gz GBPHIFJVLBJXJW-CYBMUJFWSA-N 2 2 369.450 3.483 20 5 FGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580759 507302794 /nfs/dbraw/zinc/30/27/94/507302794.db2.gz DUAZBFSIHAPACZ-UHFFFAOYSA-N 2 2 351.366 3.184 20 5 FGBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505815 507533574 /nfs/dbraw/zinc/53/35/74/507533574.db2.gz YXWACYGLRZEFBE-IBGZPJMESA-N 2 2 356.426 3.168 20 5 FGBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505815 507533577 /nfs/dbraw/zinc/53/35/77/507533577.db2.gz YXWACYGLRZEFBE-IBGZPJMESA-N 2 2 356.426 3.168 20 5 FGBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505815 507533579 /nfs/dbraw/zinc/53/35/79/507533579.db2.gz YXWACYGLRZEFBE-IBGZPJMESA-N 2 2 356.426 3.168 20 5 FGBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505815 507533583 /nfs/dbraw/zinc/53/35/83/507533583.db2.gz YXWACYGLRZEFBE-IBGZPJMESA-N 2 2 356.426 3.168 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000602504526 507730642 /nfs/dbraw/zinc/73/06/42/507730642.db2.gz SMAMZIAPLNMZDQ-UHFFFAOYSA-N 2 2 366.421 3.490 20 5 FGBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865535482 733222360 /nfs/dbraw/zinc/22/23/60/733222360.db2.gz MVJBJUSIQQMADW-LBPRGKRZSA-N 2 2 354.401 3.113 20 5 FGBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865535482 733222366 /nfs/dbraw/zinc/22/23/66/733222366.db2.gz MVJBJUSIQQMADW-LBPRGKRZSA-N 2 2 354.401 3.113 20 5 FGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131923403 494774641 /nfs/dbraw/zinc/77/46/41/494774641.db2.gz GHOSMPBRTRMNTQ-GOSISDBHSA-N 2 2 357.410 3.430 20 5 FGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131923403 494774645 /nfs/dbraw/zinc/77/46/45/494774645.db2.gz GHOSMPBRTRMNTQ-GOSISDBHSA-N 2 2 357.410 3.430 20 5 FGBDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000093644070 494906838 /nfs/dbraw/zinc/90/68/38/494906838.db2.gz AIEMDAOJLBYAED-AAEUAGOBSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000093644070 494906843 /nfs/dbraw/zinc/90/68/43/494906843.db2.gz AIEMDAOJLBYAED-AAEUAGOBSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH+]1C ZINC000093644070 494906847 /nfs/dbraw/zinc/90/68/47/494906847.db2.gz AIEMDAOJLBYAED-AAEUAGOBSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH+]1C ZINC000093644070 494906851 /nfs/dbraw/zinc/90/68/51/494906851.db2.gz AIEMDAOJLBYAED-AAEUAGOBSA-N 2 2 356.264 3.272 20 5 FGBDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000113331903 495297604 /nfs/dbraw/zinc/29/76/04/495297604.db2.gz AXNGWPVXZHWZBS-AWEZNQCLSA-N 2 2 369.450 3.328 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000184665625 496485775 /nfs/dbraw/zinc/48/57/75/496485775.db2.gz CQQPVWOWNRCFFQ-UHFFFAOYSA-N 2 2 360.845 3.397 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000273756054 496897636 /nfs/dbraw/zinc/89/76/36/496897636.db2.gz OLFJBZIEBQZGHG-GOSISDBHSA-N 2 2 371.485 3.129 20 5 FGBDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278976045 497288705 /nfs/dbraw/zinc/28/87/05/497288705.db2.gz OEMPIXZMYJLGDG-LJHODMEESA-N 2 2 356.426 3.216 20 5 FGBDLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)on1 ZINC000272890525 497753731 /nfs/dbraw/zinc/75/37/31/497753731.db2.gz XQEKRSWSBLCTTH-UHFFFAOYSA-N 2 2 367.409 3.070 20 5 FGBDLP C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285560851 498129284 /nfs/dbraw/zinc/12/92/84/498129284.db2.gz RPEIBSLOWHSOSE-JWTNVVGKSA-N 2 2 356.426 3.307 20 5 FGBDLP C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285560851 498129289 /nfs/dbraw/zinc/12/92/89/498129289.db2.gz RPEIBSLOWHSOSE-JWTNVVGKSA-N 2 2 356.426 3.307 20 5 FGBDLP C[NH+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285560851 498129294 /nfs/dbraw/zinc/12/92/94/498129294.db2.gz RPEIBSLOWHSOSE-JWTNVVGKSA-N 2 2 356.426 3.307 20 5 FGBDLP C[NH+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285560851 498129298 /nfs/dbraw/zinc/12/92/98/498129298.db2.gz RPEIBSLOWHSOSE-JWTNVVGKSA-N 2 2 356.426 3.307 20 5 FGBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089649 498263114 /nfs/dbraw/zinc/26/31/14/498263114.db2.gz WXGAOIJVIBOXHN-LJQANCHMSA-N 2 2 356.426 3.168 20 5 FGBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089649 498263122 /nfs/dbraw/zinc/26/31/22/498263122.db2.gz WXGAOIJVIBOXHN-LJQANCHMSA-N 2 2 356.426 3.168 20 5 FGBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089649 498263126 /nfs/dbraw/zinc/26/31/26/498263126.db2.gz WXGAOIJVIBOXHN-LJQANCHMSA-N 2 2 356.426 3.168 20 5 FGBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089649 498263133 /nfs/dbraw/zinc/26/31/33/498263133.db2.gz WXGAOIJVIBOXHN-LJQANCHMSA-N 2 2 356.426 3.168 20 5 FGBDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600233 498752463 /nfs/dbraw/zinc/75/24/63/498752463.db2.gz GPCLIDPGYVBQDM-MAUKXSAKSA-N 2 2 355.438 3.356 20 5 FGBDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600233 498752469 /nfs/dbraw/zinc/75/24/69/498752469.db2.gz GPCLIDPGYVBQDM-MAUKXSAKSA-N 2 2 355.438 3.356 20 5 FGBDLP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000370403166 499217323 /nfs/dbraw/zinc/21/73/23/499217323.db2.gz DGTVZLWKGGDNPE-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000370403166 499217324 /nfs/dbraw/zinc/21/73/24/499217324.db2.gz DGTVZLWKGGDNPE-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000370403166 499217325 /nfs/dbraw/zinc/21/73/25/499217325.db2.gz DGTVZLWKGGDNPE-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000370403166 499217326 /nfs/dbraw/zinc/21/73/26/499217326.db2.gz DGTVZLWKGGDNPE-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353368 499424057 /nfs/dbraw/zinc/42/40/57/499424057.db2.gz FMKLXCASCXEVSG-XOKHGSTOSA-N 2 2 367.877 3.227 20 5 FGBDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353368 499424059 /nfs/dbraw/zinc/42/40/59/499424059.db2.gz FMKLXCASCXEVSG-XOKHGSTOSA-N 2 2 367.877 3.227 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282857 499461485 /nfs/dbraw/zinc/46/14/85/499461485.db2.gz DUCFSMFVVDHDOZ-UHFFFAOYSA-N 2 2 366.425 3.123 20 5 FGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CCC2 ZINC000377831216 499739934 /nfs/dbraw/zinc/73/99/34/499739934.db2.gz KTUDHFBYKPEIRH-LBPRGKRZSA-N 2 2 366.368 3.368 20 5 FGBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420970186 500544306 /nfs/dbraw/zinc/54/43/06/500544306.db2.gz ZIRCRHCCKUQLMI-UHFFFAOYSA-N 2 2 369.465 3.102 20 5 FGBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420970186 500544310 /nfs/dbraw/zinc/54/43/10/500544310.db2.gz ZIRCRHCCKUQLMI-UHFFFAOYSA-N 2 2 369.465 3.102 20 5 FGBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602655208 506248077 /nfs/dbraw/zinc/24/80/77/506248077.db2.gz FQLQZBSDZPRETC-SNVBAGLBSA-N 2 2 362.293 3.239 20 5 FGBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602655208 506248082 /nfs/dbraw/zinc/24/80/82/506248082.db2.gz FQLQZBSDZPRETC-SNVBAGLBSA-N 2 2 362.293 3.239 20 5 FGBDLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000507916959 503395034 /nfs/dbraw/zinc/39/50/34/503395034.db2.gz FZYOTLXIXDETGF-GASCZTMLSA-N 2 2 365.449 3.055 20 5 FGBDLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000507916959 503395039 /nfs/dbraw/zinc/39/50/39/503395039.db2.gz FZYOTLXIXDETGF-GASCZTMLSA-N 2 2 365.449 3.055 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)c1 ZINC000494407081 503537333 /nfs/dbraw/zinc/53/73/33/503537333.db2.gz RZTBPBKBFYRMSU-CYBMUJFWSA-N 2 2 355.423 3.019 20 5 FGBDLP CCc1cc(NCCC[NH+](CC)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000512699654 503615712 /nfs/dbraw/zinc/61/57/12/503615712.db2.gz SPXKOHDPEMGMFN-UHFFFAOYSA-N 2 2 357.458 3.180 20 5 FGBDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000509005638 503617326 /nfs/dbraw/zinc/61/73/26/503617326.db2.gz DTLDJXJLLVAWQA-GOSISDBHSA-N 2 2 368.481 3.458 20 5 FGBDLP C[C@@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000541729265 504235913 /nfs/dbraw/zinc/23/59/13/504235913.db2.gz HIBNCQOWRLQONM-LLVKDONJSA-N 2 2 355.329 3.057 20 5 FGBDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000538557903 504283856 /nfs/dbraw/zinc/28/38/56/504283856.db2.gz SIWXKEPOKKJTBG-KBXCAEBGSA-N 2 2 355.442 3.303 20 5 FGBDLP CCC(CC)[C@@H](CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000552234810 505435954 /nfs/dbraw/zinc/43/59/54/505435954.db2.gz LRQGHADBHLPYTG-MOPGFXCFSA-N 2 2 373.501 3.374 20 5 FGBDLP CCC1([NH+]2CCOCC2)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000600209652 506847626 /nfs/dbraw/zinc/84/76/26/506847626.db2.gz XVTJIHBCJHCYFZ-FNORWQNLSA-N 2 2 359.470 3.185 20 5 FGBDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000597248031 506857950 /nfs/dbraw/zinc/85/79/50/506857950.db2.gz JYZGDUBXAAGAMC-GOSISDBHSA-N 2 2 373.453 3.397 20 5 FGBDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000597248031 506857957 /nfs/dbraw/zinc/85/79/57/506857957.db2.gz JYZGDUBXAAGAMC-GOSISDBHSA-N 2 2 373.453 3.397 20 5 FGBDLP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000595103569 507393226 /nfs/dbraw/zinc/39/32/26/507393226.db2.gz OMISSVCIVKWNMU-QFBILLFUSA-N 2 2 359.470 3.160 20 5 FGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043693 494768343 /nfs/dbraw/zinc/76/83/43/494768343.db2.gz PEMFSUWQXAVMLV-WFASDCNBSA-N 2 2 355.385 3.112 20 5 FGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043693 494768347 /nfs/dbraw/zinc/76/83/47/494768347.db2.gz PEMFSUWQXAVMLV-WFASDCNBSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043693 494768352 /nfs/dbraw/zinc/76/83/52/494768352.db2.gz PEMFSUWQXAVMLV-WFASDCNBSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043693 494768356 /nfs/dbraw/zinc/76/83/56/494768356.db2.gz PEMFSUWQXAVMLV-WFASDCNBSA-N 2 2 355.385 3.112 20 5 FGBDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000093644068 494906778 /nfs/dbraw/zinc/90/67/78/494906778.db2.gz AIEMDAOJLBYAED-WCQYABFASA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000093644068 494906783 /nfs/dbraw/zinc/90/67/83/494906783.db2.gz AIEMDAOJLBYAED-WCQYABFASA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH+]1C ZINC000093644068 494906786 /nfs/dbraw/zinc/90/67/86/494906786.db2.gz AIEMDAOJLBYAED-WCQYABFASA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH+]1C ZINC000093644068 494906790 /nfs/dbraw/zinc/90/67/90/494906790.db2.gz AIEMDAOJLBYAED-WCQYABFASA-N 2 2 356.264 3.272 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182721108 495676641 /nfs/dbraw/zinc/67/66/41/495676641.db2.gz NCIDZMTUIYZJNF-CEXWTWQISA-N 2 2 374.529 3.455 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182721108 495676648 /nfs/dbraw/zinc/67/66/48/495676648.db2.gz NCIDZMTUIYZJNF-CEXWTWQISA-N 2 2 374.529 3.455 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182769395 495696992 /nfs/dbraw/zinc/69/69/92/495696992.db2.gz GITIRCITMMMAPZ-IEBWSBKVSA-N 2 2 360.502 3.066 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000182769395 495696997 /nfs/dbraw/zinc/69/69/97/495696997.db2.gz GITIRCITMMMAPZ-IEBWSBKVSA-N 2 2 360.502 3.066 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249590761 497226421 /nfs/dbraw/zinc/22/64/21/497226421.db2.gz VIKZSTKIHPUUGT-UWJYYQICSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249590761 497226427 /nfs/dbraw/zinc/22/64/27/497226427.db2.gz VIKZSTKIHPUUGT-UWJYYQICSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249590761 497226434 /nfs/dbraw/zinc/22/64/34/497226434.db2.gz VIKZSTKIHPUUGT-UWJYYQICSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249590761 497226440 /nfs/dbraw/zinc/22/64/40/497226440.db2.gz VIKZSTKIHPUUGT-UWJYYQICSA-N 2 2 369.465 3.225 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000194298810 497628792 /nfs/dbraw/zinc/62/87/92/497628792.db2.gz ICYURGPBYIQMAE-UHFFFAOYSA-N 2 2 362.430 3.247 20 5 FGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490767 497752430 /nfs/dbraw/zinc/75/24/30/497752430.db2.gz PEMFSUWQXAVMLV-IUODEOHRSA-N 2 2 355.385 3.112 20 5 FGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490767 497752432 /nfs/dbraw/zinc/75/24/32/497752432.db2.gz PEMFSUWQXAVMLV-IUODEOHRSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490767 497752435 /nfs/dbraw/zinc/75/24/35/497752435.db2.gz PEMFSUWQXAVMLV-IUODEOHRSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490767 497752436 /nfs/dbraw/zinc/75/24/36/497752436.db2.gz PEMFSUWQXAVMLV-IUODEOHRSA-N 2 2 355.385 3.112 20 5 FGBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000361246002 498364904 /nfs/dbraw/zinc/36/49/04/498364904.db2.gz KSRZCXMCDKDASP-APWZRJJASA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000361246002 498364909 /nfs/dbraw/zinc/36/49/09/498364909.db2.gz KSRZCXMCDKDASP-APWZRJJASA-N 2 2 354.454 3.033 20 5 FGBDLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000290183156 498455266 /nfs/dbraw/zinc/45/52/66/498455266.db2.gz NSGIWATYQWREQF-CRAIPNDOSA-N 2 2 359.474 3.128 20 5 FGBDLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000290183156 498455278 /nfs/dbraw/zinc/45/52/78/498455278.db2.gz NSGIWATYQWREQF-CRAIPNDOSA-N 2 2 359.474 3.128 20 5 FGBDLP Cn1cc([C@H]2[C@@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000363176688 498688906 /nfs/dbraw/zinc/68/89/06/498688906.db2.gz LNIIAVCYMIBRRJ-KZJOSYIESA-N 2 2 369.469 3.014 20 5 FGBDLP Cn1cc([C@H]2[C@@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000363176688 498688912 /nfs/dbraw/zinc/68/89/12/498688912.db2.gz LNIIAVCYMIBRRJ-KZJOSYIESA-N 2 2 369.469 3.014 20 5 FGBDLP COc1ccc([C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]2CCC[NH2+]2)cc1 ZINC000422779941 500296844 /nfs/dbraw/zinc/29/68/44/500296844.db2.gz CKKRSPBAINTXDO-QUCCMNQESA-N 2 2 355.438 3.229 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423202263 500354684 /nfs/dbraw/zinc/35/46/84/500354684.db2.gz QMRQCQWCAJVQMC-KRWDZBQOSA-N 2 2 357.458 3.059 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423201874 500354936 /nfs/dbraw/zinc/35/49/36/500354936.db2.gz QANSKZIEDOHLDF-QGZVFWFLSA-N 2 2 357.458 3.059 20 5 FGBDLP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423293191 500361602 /nfs/dbraw/zinc/36/16/02/500361602.db2.gz QFIGOVUTKNVFMM-LIRRHRJNSA-N 2 2 365.437 3.227 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423502858 500379912 /nfs/dbraw/zinc/37/99/12/500379912.db2.gz FHASXDLTZYRJBR-FHLIZLRMSA-N 2 2 355.438 3.400 20 5 FGBDLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000434010778 500781192 /nfs/dbraw/zinc/78/11/92/500781192.db2.gz FRLZGJMCOVGWOP-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000434010778 500781194 /nfs/dbraw/zinc/78/11/94/500781194.db2.gz FRLZGJMCOVGWOP-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000434010778 500781199 /nfs/dbraw/zinc/78/11/99/500781199.db2.gz FRLZGJMCOVGWOP-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000434010778 500781203 /nfs/dbraw/zinc/78/12/03/500781203.db2.gz FRLZGJMCOVGWOP-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000449212497 500949520 /nfs/dbraw/zinc/94/95/20/500949520.db2.gz SYKDOUJZRAXDQN-QAPCUYQASA-N 2 2 369.469 3.173 20 5 FGBDLP Cc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435393339 500967270 /nfs/dbraw/zinc/96/72/70/500967270.db2.gz IVAUFBVQKOUIAE-LJQANCHMSA-N 2 2 354.454 3.443 20 5 FGBDLP Cc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435393339 500967273 /nfs/dbraw/zinc/96/72/73/500967273.db2.gz IVAUFBVQKOUIAE-LJQANCHMSA-N 2 2 354.454 3.443 20 5 FGBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847872 501890062 /nfs/dbraw/zinc/89/00/62/501890062.db2.gz AKYPFFIKQNJDSD-NBHGPNQESA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847872 501890064 /nfs/dbraw/zinc/89/00/64/501890064.db2.gz AKYPFFIKQNJDSD-NBHGPNQESA-N 2 2 369.465 3.128 20 5 FGBDLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136648 502579917 /nfs/dbraw/zinc/57/99/17/502579917.db2.gz VSURXHLCMKJNGF-RTWAWAEBSA-N 2 2 369.465 3.273 20 5 FGBDLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136648 502579924 /nfs/dbraw/zinc/57/99/24/502579924.db2.gz VSURXHLCMKJNGF-RTWAWAEBSA-N 2 2 369.465 3.273 20 5 FGBDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153652 502587168 /nfs/dbraw/zinc/58/71/68/502587168.db2.gz BNBIPBXXKOAFBL-SCWSEQNSSA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153652 502587171 /nfs/dbraw/zinc/58/71/71/502587171.db2.gz BNBIPBXXKOAFBL-SCWSEQNSSA-N 2 2 369.465 3.128 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532520352 504680731 /nfs/dbraw/zinc/68/07/31/504680731.db2.gz DDWQXCNAMCLQLH-LAUBAEHRSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532520352 504680733 /nfs/dbraw/zinc/68/07/33/504680733.db2.gz DDWQXCNAMCLQLH-LAUBAEHRSA-N 2 2 369.465 3.191 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000566414679 505168312 /nfs/dbraw/zinc/16/83/12/505168312.db2.gz QRXBBMROEMXHOA-LBPRGKRZSA-N 2 2 365.231 3.080 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000566414679 505168315 /nfs/dbraw/zinc/16/83/15/505168315.db2.gz QRXBBMROEMXHOA-LBPRGKRZSA-N 2 2 365.231 3.080 20 5 FGBDLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000562093360 505516517 /nfs/dbraw/zinc/51/65/17/505516517.db2.gz XQWFUMXVDNAHNT-CRAIPNDOSA-N 2 2 359.474 3.128 20 5 FGBDLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000562093360 505516522 /nfs/dbraw/zinc/51/65/22/505516522.db2.gz XQWFUMXVDNAHNT-CRAIPNDOSA-N 2 2 359.474 3.128 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000603407463 506504629 /nfs/dbraw/zinc/50/46/29/506504629.db2.gz DQBGRNUNYNJPLG-UHFFFAOYSA-N 2 2 356.426 3.198 20 5 FGBDLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000594739295 507263055 /nfs/dbraw/zinc/26/30/55/507263055.db2.gz TZPNTRWMAVKHGK-PMACEKPBSA-N 2 2 355.438 3.229 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595081618 507383030 /nfs/dbraw/zinc/38/30/30/507383030.db2.gz SZFVXNPKFLZCSA-DOTOQJQBSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595081618 507383034 /nfs/dbraw/zinc/38/30/34/507383034.db2.gz SZFVXNPKFLZCSA-DOTOQJQBSA-N 2 2 374.485 3.309 20 5 FGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872088848 735586928 /nfs/dbraw/zinc/58/69/28/735586928.db2.gz RNUFCPVVKBANDT-CJNGLKHVSA-N 2 2 365.499 3.221 20 5 FGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639761 494907409 /nfs/dbraw/zinc/90/74/09/494907409.db2.gz NQFBODOTRPXOAE-IUODEOHRSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639761 494907410 /nfs/dbraw/zinc/90/74/10/494907410.db2.gz NQFBODOTRPXOAE-IUODEOHRSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639761 494907411 /nfs/dbraw/zinc/90/74/11/494907411.db2.gz NQFBODOTRPXOAE-IUODEOHRSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639761 494907412 /nfs/dbraw/zinc/90/74/12/494907412.db2.gz NQFBODOTRPXOAE-IUODEOHRSA-N 2 2 357.401 3.358 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174226048 495871698 /nfs/dbraw/zinc/87/16/98/495871698.db2.gz UXPCBJZDSLVTRJ-AEFFLSMTSA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174226048 495871701 /nfs/dbraw/zinc/87/17/01/495871701.db2.gz UXPCBJZDSLVTRJ-AEFFLSMTSA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000174226048 495871703 /nfs/dbraw/zinc/87/17/03/495871703.db2.gz UXPCBJZDSLVTRJ-AEFFLSMTSA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000174226048 495871706 /nfs/dbraw/zinc/87/17/06/495871706.db2.gz UXPCBJZDSLVTRJ-AEFFLSMTSA-N 2 2 374.485 3.179 20 5 FGBDLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792265 495949176 /nfs/dbraw/zinc/94/91/76/495949176.db2.gz LAGRPFCNAWRBHM-NHCUHLMSSA-N 2 2 369.465 3.055 20 5 FGBDLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792265 495949187 /nfs/dbraw/zinc/94/91/87/495949187.db2.gz LAGRPFCNAWRBHM-NHCUHLMSSA-N 2 2 369.465 3.055 20 5 FGBDLP C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000180670908 496097530 /nfs/dbraw/zinc/09/75/30/496097530.db2.gz LXNVFODBDBWYLO-AWEZNQCLSA-N 2 2 365.393 3.070 20 5 FGBDLP C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cn1cc[nH+]c1 ZINC000172116633 496172491 /nfs/dbraw/zinc/17/24/91/496172491.db2.gz YYDPKFLFZSVXJX-CYBMUJFWSA-N 2 2 357.439 3.341 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000152740190 496242049 /nfs/dbraw/zinc/24/20/49/496242049.db2.gz MKWXTUQDGUXBRZ-GOSISDBHSA-N 2 2 354.454 3.281 20 5 FGBDLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405443 496370279 /nfs/dbraw/zinc/37/02/79/496370279.db2.gz DWEQPCFRIKBEAK-KGLIPLIRSA-N 2 2 365.449 3.485 20 5 FGBDLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405443 496370285 /nfs/dbraw/zinc/37/02/85/496370285.db2.gz DWEQPCFRIKBEAK-KGLIPLIRSA-N 2 2 365.449 3.485 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191488674 496780772 /nfs/dbraw/zinc/78/07/72/496780772.db2.gz RELLMFGFHMAZIO-UHFFFAOYSA-N 2 2 373.457 3.013 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191488674 496780776 /nfs/dbraw/zinc/78/07/76/496780776.db2.gz RELLMFGFHMAZIO-UHFFFAOYSA-N 2 2 373.457 3.013 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000273373948 496787876 /nfs/dbraw/zinc/78/78/76/496787876.db2.gz GHICZMROUBVMPZ-UHFFFAOYSA-N 2 2 369.469 3.441 20 5 FGBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625135 497063368 /nfs/dbraw/zinc/06/33/68/497063368.db2.gz NODIEYMCLHIFSU-GUYCJALGSA-N 2 2 363.433 3.191 20 5 FGBDLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625135 497063369 /nfs/dbraw/zinc/06/33/69/497063369.db2.gz NODIEYMCLHIFSU-GUYCJALGSA-N 2 2 363.433 3.191 20 5 FGBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625135 497063373 /nfs/dbraw/zinc/06/33/73/497063373.db2.gz NODIEYMCLHIFSU-GUYCJALGSA-N 2 2 363.433 3.191 20 5 FGBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625135 497063376 /nfs/dbraw/zinc/06/33/76/497063376.db2.gz NODIEYMCLHIFSU-GUYCJALGSA-N 2 2 363.433 3.191 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285256160 498035847 /nfs/dbraw/zinc/03/58/47/498035847.db2.gz IQBCWFGJEAVNIJ-SCLBCKFNSA-N 2 2 371.428 3.100 20 5 FGBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285256160 498035855 /nfs/dbraw/zinc/03/58/55/498035855.db2.gz IQBCWFGJEAVNIJ-SCLBCKFNSA-N 2 2 371.428 3.100 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000291159870 498822240 /nfs/dbraw/zinc/82/22/40/498822240.db2.gz LXOHWAAJTGMDAN-UHFFFAOYSA-N 2 2 361.364 3.110 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000570162908 506104810 /nfs/dbraw/zinc/10/48/10/506104810.db2.gz UNBUIMXSUQYLQP-SFHVURJKSA-N 2 2 358.467 3.294 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cs2)c1 ZINC000570162908 506104813 /nfs/dbraw/zinc/10/48/13/506104813.db2.gz UNBUIMXSUQYLQP-SFHVURJKSA-N 2 2 358.467 3.294 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370706725 499246248 /nfs/dbraw/zinc/24/62/48/499246248.db2.gz CJCVAYLPENQUDD-FXAWDEMLSA-N 2 2 374.529 3.176 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370706725 499246250 /nfs/dbraw/zinc/24/62/50/499246250.db2.gz CJCVAYLPENQUDD-FXAWDEMLSA-N 2 2 374.529 3.176 20 5 FGBDLP COc1ccc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000576388824 506146010 /nfs/dbraw/zinc/14/60/10/506146010.db2.gz NGGFEAJHRQWOGB-WOJBJXKFSA-N 2 2 371.437 3.065 20 5 FGBDLP C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000425426266 500102105 /nfs/dbraw/zinc/10/21/05/500102105.db2.gz ZYMHYQRDRFAYLI-GFCCVEGCSA-N 2 2 356.264 3.131 20 5 FGBDLP C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000425426266 500102111 /nfs/dbraw/zinc/10/21/11/500102111.db2.gz ZYMHYQRDRFAYLI-GFCCVEGCSA-N 2 2 356.264 3.131 20 5 FGBDLP C[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000425426266 500102115 /nfs/dbraw/zinc/10/21/15/500102115.db2.gz ZYMHYQRDRFAYLI-GFCCVEGCSA-N 2 2 356.264 3.131 20 5 FGBDLP C[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000425426266 500102119 /nfs/dbraw/zinc/10/21/19/500102119.db2.gz ZYMHYQRDRFAYLI-GFCCVEGCSA-N 2 2 356.264 3.131 20 5 FGBDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000425428623 500103104 /nfs/dbraw/zinc/10/31/04/500103104.db2.gz XJPQQDHIGNVYLE-FZMZJTMJSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425428623 500103107 /nfs/dbraw/zinc/10/31/07/500103107.db2.gz XJPQQDHIGNVYLE-FZMZJTMJSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[NH+]1C ZINC000425428623 500103110 /nfs/dbraw/zinc/10/31/10/500103110.db2.gz XJPQQDHIGNVYLE-FZMZJTMJSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[NH+]1C ZINC000425428623 500103113 /nfs/dbraw/zinc/10/31/13/500103113.db2.gz XJPQQDHIGNVYLE-FZMZJTMJSA-N 2 2 356.264 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000447564780 500625689 /nfs/dbraw/zinc/62/56/89/500625689.db2.gz ZCVYDDIYCXWTCP-CVEARBPZSA-N 2 2 358.446 3.152 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000447564787 500625720 /nfs/dbraw/zinc/62/57/20/500625720.db2.gz ZCVYDDIYCXWTCP-JKSUJKDBSA-N 2 2 358.446 3.152 20 5 FGBDLP COc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435393421 500967396 /nfs/dbraw/zinc/96/73/96/500967396.db2.gz JRXNRGGMGCRULD-SFHVURJKSA-N 2 2 370.453 3.143 20 5 FGBDLP COc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435393421 500967398 /nfs/dbraw/zinc/96/73/98/500967398.db2.gz JRXNRGGMGCRULD-SFHVURJKSA-N 2 2 370.453 3.143 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596100702 506259251 /nfs/dbraw/zinc/25/92/51/506259251.db2.gz AMXNUNRKHYRBSU-UHFFFAOYSA-N 2 2 352.438 3.204 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000599063601 506304200 /nfs/dbraw/zinc/30/42/00/506304200.db2.gz DOTVKVPRIFYVMX-RCCFBDPRSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000599063601 506304201 /nfs/dbraw/zinc/30/42/01/506304201.db2.gz DOTVKVPRIFYVMX-RCCFBDPRSA-N 2 2 361.490 3.272 20 5 FGBDLP Cc1c(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cccc1[N+](=O)[O-] ZINC000480481255 502580105 /nfs/dbraw/zinc/58/01/05/502580105.db2.gz NBEZIZXXBOIZLG-UHFFFAOYSA-N 2 2 360.483 3.416 20 5 FGBDLP Cc1c(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)cccc1[N+](=O)[O-] ZINC000480481255 502580108 /nfs/dbraw/zinc/58/01/08/502580108.db2.gz NBEZIZXXBOIZLG-UHFFFAOYSA-N 2 2 360.483 3.416 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000470174529 502695215 /nfs/dbraw/zinc/69/52/15/502695215.db2.gz LVFROBFXRVDRHA-MOKGIYGOSA-N 2 2 359.470 3.183 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000470174529 502695217 /nfs/dbraw/zinc/69/52/17/502695217.db2.gz LVFROBFXRVDRHA-MOKGIYGOSA-N 2 2 359.470 3.183 20 5 FGBDLP Cc1cc(NCC2([NH+](C)C)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489185978 502896952 /nfs/dbraw/zinc/89/69/52/502896952.db2.gz QRVRVEGUZMWPER-UHFFFAOYSA-N 2 2 355.442 3.068 20 5 FGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)ccc1Oc1ccc(F)cc1 ZINC000591281654 507184353 /nfs/dbraw/zinc/18/43/53/507184353.db2.gz IVCCYWZSVSPMCD-GJZGRUSLSA-N 2 2 363.364 3.316 20 5 FGBDLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000594739309 507262525 /nfs/dbraw/zinc/26/25/25/507262525.db2.gz UNCISOPJRVUKGJ-PMACEKPBSA-N 2 2 355.438 3.229 20 5 FGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCC2 ZINC000595105933 507395276 /nfs/dbraw/zinc/39/52/76/507395276.db2.gz UTRMZYOVWCBEEY-UYAOXDASSA-N 2 2 359.470 3.205 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000611287825 507605706 /nfs/dbraw/zinc/60/57/06/507605706.db2.gz RHXZSXAOOAQZGG-IRXDYDNUSA-N 2 2 352.438 3.014 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)o2)c1 ZINC000903955239 743904771 /nfs/dbraw/zinc/90/47/71/743904771.db2.gz NNUCGWLDOMDTJQ-ZDUSSCGKSA-N 2 2 351.353 3.189 20 5 FGBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844669 505633623 /nfs/dbraw/zinc/63/36/23/505633623.db2.gz BOIDBNHHWHTXOO-GUYCJALGSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844669 505633626 /nfs/dbraw/zinc/63/36/26/505633626.db2.gz BOIDBNHHWHTXOO-GUYCJALGSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844669 505633629 /nfs/dbraw/zinc/63/36/29/505633629.db2.gz BOIDBNHHWHTXOO-GUYCJALGSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844669 505633631 /nfs/dbraw/zinc/63/36/31/505633631.db2.gz BOIDBNHHWHTXOO-GUYCJALGSA-N 2 2 360.483 3.490 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000131004835 495478140 /nfs/dbraw/zinc/47/81/40/495478140.db2.gz CDNWASAZFGSDGT-MRXNPFEDSA-N 2 2 371.437 3.009 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000131004835 495478146 /nfs/dbraw/zinc/47/81/46/495478146.db2.gz CDNWASAZFGSDGT-MRXNPFEDSA-N 2 2 371.437 3.009 20 5 FGBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000173787770 495692753 /nfs/dbraw/zinc/69/27/53/495692753.db2.gz MSEBZYHWEJZROW-GJZGRUSLSA-N 2 2 373.457 3.370 20 5 FGBDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000173787770 495692759 /nfs/dbraw/zinc/69/27/59/495692759.db2.gz MSEBZYHWEJZROW-GJZGRUSLSA-N 2 2 373.457 3.370 20 5 FGBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417437 495988686 /nfs/dbraw/zinc/98/86/86/495988686.db2.gz OCWDQURQZFJXKL-SFTDATJTSA-N 2 2 369.465 3.385 20 5 FGBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417437 495988690 /nfs/dbraw/zinc/98/86/90/495988690.db2.gz OCWDQURQZFJXKL-SFTDATJTSA-N 2 2 369.465 3.385 20 5 FGBDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000371158268 499294672 /nfs/dbraw/zinc/29/46/72/499294672.db2.gz RNTAKTDINJZAEU-UHFFFAOYSA-N 3 2 374.529 3.223 20 5 FGBDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000371158268 499294674 /nfs/dbraw/zinc/29/46/74/499294674.db2.gz RNTAKTDINJZAEU-UHFFFAOYSA-N 3 2 374.529 3.223 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375798871 499556813 /nfs/dbraw/zinc/55/68/13/499556813.db2.gz XXTAPMGIJQUWBI-HNNXBMFYSA-N 2 2 371.441 3.190 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375798871 499556814 /nfs/dbraw/zinc/55/68/14/499556814.db2.gz XXTAPMGIJQUWBI-HNNXBMFYSA-N 2 2 371.441 3.190 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000376045378 499578444 /nfs/dbraw/zinc/57/84/44/499578444.db2.gz WEUHRNAZGPJENU-GFCCVEGCSA-N 2 2 366.368 3.309 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000376045378 499578446 /nfs/dbraw/zinc/57/84/46/499578446.db2.gz WEUHRNAZGPJENU-GFCCVEGCSA-N 2 2 366.368 3.309 20 5 FGBDLP Cn1cc[nH+]c1CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413124567 499916776 /nfs/dbraw/zinc/91/67/76/499916776.db2.gz GFQADQSNBBNODB-UHFFFAOYSA-N 2 2 351.410 3.336 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2c1 ZINC000413192882 499925294 /nfs/dbraw/zinc/92/52/94/499925294.db2.gz JRDGEFDUWOBAKE-RTBURBONSA-N 2 2 370.453 3.323 20 5 FGBDLP COc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422744742 500293085 /nfs/dbraw/zinc/29/30/85/500293085.db2.gz UCRFMDYSSOOCFO-PMACEKPBSA-N 2 2 355.438 3.229 20 5 FGBDLP COc1ccc([C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]2CCC[NH2+]2)cc1 ZINC000422779942 500296657 /nfs/dbraw/zinc/29/66/57/500296657.db2.gz CKKRSPBAINTXDO-UYAOXDASSA-N 2 2 355.438 3.229 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423201873 500354709 /nfs/dbraw/zinc/35/47/09/500354709.db2.gz QANSKZIEDOHLDF-KRWDZBQOSA-N 2 2 357.458 3.059 20 5 FGBDLP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000419697352 500390259 /nfs/dbraw/zinc/39/02/59/500390259.db2.gz WSHWKRJEENVLKN-UHFFFAOYSA-N 2 2 374.872 3.440 20 5 FGBDLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000420978242 500546193 /nfs/dbraw/zinc/54/61/93/500546193.db2.gz TUMFQBIYVUYWRY-INIZCTEOSA-N 2 2 355.438 3.278 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471000883 501887561 /nfs/dbraw/zinc/88/75/61/501887561.db2.gz KGFFJMNYEIBLRY-KDURUIRLSA-N 2 2 367.449 3.037 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471000883 501887565 /nfs/dbraw/zinc/88/75/65/501887565.db2.gz KGFFJMNYEIBLRY-KDURUIRLSA-N 2 2 367.449 3.037 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471000883 501887569 /nfs/dbraw/zinc/88/75/69/501887569.db2.gz KGFFJMNYEIBLRY-KDURUIRLSA-N 2 2 367.449 3.037 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471000883 501887573 /nfs/dbraw/zinc/88/75/73/501887573.db2.gz KGFFJMNYEIBLRY-KDURUIRLSA-N 2 2 367.449 3.037 20 5 FGBDLP CC[NH+](CC)CCOC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509686026 502967102 /nfs/dbraw/zinc/96/71/02/502967102.db2.gz PUUBUJVEGUATBF-UHFFFAOYSA-N 2 2 371.428 3.196 20 5 FGBDLP CC(C)c1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1[N+](=O)[O-] ZINC000508504260 503507734 /nfs/dbraw/zinc/50/77/34/503507734.db2.gz QWOWBLXLFFXYPK-UHFFFAOYSA-N 2 2 351.410 3.392 20 5 FGBDLP C[NH+]1CCC(CNc2c(F)cccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000561208078 505280622 /nfs/dbraw/zinc/28/06/22/505280622.db2.gz MVXVYECLENHGEG-UHFFFAOYSA-N 2 2 350.438 3.096 20 5 FGBDLP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000589267778 506502208 /nfs/dbraw/zinc/50/22/08/506502208.db2.gz MCILFEYVLGUGMS-VQTJNVASSA-N 2 2 355.438 3.399 20 5 FGBDLP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000589267778 506502213 /nfs/dbraw/zinc/50/22/13/506502213.db2.gz MCILFEYVLGUGMS-VQTJNVASSA-N 2 2 355.438 3.399 20 5 FGBDLP Cc1noc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595436311 507495627 /nfs/dbraw/zinc/49/56/27/507495627.db2.gz MTFOZFRFIJPEEN-UOIKSKOESA-N 2 2 358.442 3.137 20 5 FGBDLP Cc1noc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595436311 507495634 /nfs/dbraw/zinc/49/56/34/507495634.db2.gz MTFOZFRFIJPEEN-UOIKSKOESA-N 2 2 358.442 3.137 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960867 493800033 /nfs/dbraw/zinc/80/00/33/493800033.db2.gz NXPXPJBZHUFWCQ-OCCSQVGLSA-N 2 2 368.397 3.309 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960867 493800036 /nfs/dbraw/zinc/80/00/36/493800036.db2.gz NXPXPJBZHUFWCQ-OCCSQVGLSA-N 2 2 368.397 3.309 20 5 FGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907897 494397749 /nfs/dbraw/zinc/39/77/49/494397749.db2.gz KOCZYAPUJHUJPT-HNNXBMFYSA-N 2 2 358.442 3.414 20 5 FGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907897 494397754 /nfs/dbraw/zinc/39/77/54/494397754.db2.gz KOCZYAPUJHUJPT-HNNXBMFYSA-N 2 2 358.442 3.414 20 5 FGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907897 494397757 /nfs/dbraw/zinc/39/77/57/494397757.db2.gz KOCZYAPUJHUJPT-HNNXBMFYSA-N 2 2 358.442 3.414 20 5 FGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907897 494397763 /nfs/dbraw/zinc/39/77/63/494397763.db2.gz KOCZYAPUJHUJPT-HNNXBMFYSA-N 2 2 358.442 3.414 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000093563872 494901794 /nfs/dbraw/zinc/90/17/94/494901794.db2.gz FIFBKFLWVYPLIR-MRXNPFEDSA-N 2 2 363.458 3.062 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000093563872 494901798 /nfs/dbraw/zinc/90/17/98/494901798.db2.gz FIFBKFLWVYPLIR-MRXNPFEDSA-N 2 2 363.458 3.062 20 5 FGBDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978548 495215369 /nfs/dbraw/zinc/21/53/69/495215369.db2.gz WDOHJDCGFMMXFA-DGCLKSJQSA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978548 495215372 /nfs/dbraw/zinc/21/53/72/495215372.db2.gz WDOHJDCGFMMXFA-DGCLKSJQSA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978548 495215376 /nfs/dbraw/zinc/21/53/76/495215376.db2.gz WDOHJDCGFMMXFA-DGCLKSJQSA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978548 495215377 /nfs/dbraw/zinc/21/53/77/495215377.db2.gz WDOHJDCGFMMXFA-DGCLKSJQSA-N 2 2 373.400 3.119 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000131005069 495477985 /nfs/dbraw/zinc/47/79/85/495477985.db2.gz CDNWASAZFGSDGT-INIZCTEOSA-N 2 2 371.437 3.009 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000131005069 495477990 /nfs/dbraw/zinc/47/79/90/495477990.db2.gz CDNWASAZFGSDGT-INIZCTEOSA-N 2 2 371.437 3.009 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139822451 495483475 /nfs/dbraw/zinc/48/34/75/495483475.db2.gz RGXLBYSZGOYWOS-FRFSOERESA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139822451 495483476 /nfs/dbraw/zinc/48/34/76/495483476.db2.gz RGXLBYSZGOYWOS-FRFSOERESA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139822451 495483477 /nfs/dbraw/zinc/48/34/77/495483477.db2.gz RGXLBYSZGOYWOS-FRFSOERESA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139822451 495483480 /nfs/dbraw/zinc/48/34/80/495483480.db2.gz RGXLBYSZGOYWOS-FRFSOERESA-N 2 2 371.441 3.122 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000152740117 496241959 /nfs/dbraw/zinc/24/19/59/496241959.db2.gz MKWXTUQDGUXBRZ-SFHVURJKSA-N 2 2 354.454 3.281 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191492258 496781548 /nfs/dbraw/zinc/78/15/48/496781548.db2.gz NXUVRHFEAAYRDA-UHFFFAOYSA-N 2 2 374.441 3.132 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191492258 496781551 /nfs/dbraw/zinc/78/15/51/496781551.db2.gz NXUVRHFEAAYRDA-UHFFFAOYSA-N 2 2 374.441 3.132 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892722 496816764 /nfs/dbraw/zinc/81/67/64/496816764.db2.gz JQMADLRXKTVDFI-GJZGRUSLSA-N 2 2 374.510 3.220 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892722 496816768 /nfs/dbraw/zinc/81/67/68/496816768.db2.gz JQMADLRXKTVDFI-GJZGRUSLSA-N 2 2 374.510 3.220 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878443 499374675 /nfs/dbraw/zinc/37/46/75/499374675.db2.gz NSHUONKBVYUBTB-ZSZQSSIHSA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878443 499374676 /nfs/dbraw/zinc/37/46/76/499374676.db2.gz NSHUONKBVYUBTB-ZSZQSSIHSA-N 2 2 357.458 3.062 20 5 FGBDLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414870341 499839798 /nfs/dbraw/zinc/83/97/98/499839798.db2.gz SINMXZFSQISVHS-QGZVFWFLSA-N 2 2 371.437 3.024 20 5 FGBDLP C[NH+](C)CCCOC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413171098 499922002 /nfs/dbraw/zinc/92/20/02/499922002.db2.gz MNFVQECKRAWKGW-UHFFFAOYSA-N 2 2 358.442 3.080 20 5 FGBDLP CC[NH+](CC)CCOC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413171047 499922032 /nfs/dbraw/zinc/92/20/32/499922032.db2.gz ONHCNUFJQGRIBX-UHFFFAOYSA-N 2 2 372.469 3.470 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425966623 500217561 /nfs/dbraw/zinc/21/75/61/500217561.db2.gz LJIIBPAOHVEFBP-UWJYYQICSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425966623 500217564 /nfs/dbraw/zinc/21/75/64/500217564.db2.gz LJIIBPAOHVEFBP-UWJYYQICSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425966623 500217567 /nfs/dbraw/zinc/21/75/67/500217567.db2.gz LJIIBPAOHVEFBP-UWJYYQICSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425966623 500217569 /nfs/dbraw/zinc/21/75/69/500217569.db2.gz LJIIBPAOHVEFBP-UWJYYQICSA-N 2 2 369.465 3.225 20 5 FGBDLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447510422 500614577 /nfs/dbraw/zinc/61/45/77/500614577.db2.gz PENHWFGOZQRBIN-KZNAEPCWSA-N 2 2 357.458 3.168 20 5 FGBDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602581145 506222762 /nfs/dbraw/zinc/22/27/62/506222762.db2.gz DXLVDAKUCSYNKF-UHFFFAOYSA-N 2 2 356.245 3.455 20 5 FGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000449092001 500922991 /nfs/dbraw/zinc/92/29/91/500922991.db2.gz SHKOSGIEYWVKKH-QGZVFWFLSA-N 2 2 369.465 3.148 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435373404 500962294 /nfs/dbraw/zinc/96/22/94/500962294.db2.gz NGORBSAWVRYYEA-GOSISDBHSA-N 2 2 371.437 3.106 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435373404 500962296 /nfs/dbraw/zinc/96/22/96/500962296.db2.gz NGORBSAWVRYYEA-GOSISDBHSA-N 2 2 371.437 3.106 20 5 FGBDLP O=[N+]([O-])c1c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc2c[nH+]ccc21 ZINC000599053970 506296896 /nfs/dbraw/zinc/29/68/96/506296896.db2.gz BLFFWJRBYYLAMO-RBUKOAKNSA-N 2 2 370.453 3.323 20 5 FGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000504920335 502824434 /nfs/dbraw/zinc/82/44/34/502824434.db2.gz NNPRCAZANKQQFM-CVEARBPZSA-N 2 2 367.515 3.023 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC1([NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000513754640 503016826 /nfs/dbraw/zinc/01/68/26/503016826.db2.gz MGHQFNVJGCQNCA-GOSISDBHSA-N 2 2 371.485 3.272 20 5 FGBDLP CC[N@H+](CC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600774409 507112973 /nfs/dbraw/zinc/11/29/73/507112973.db2.gz KJCXCWZULNPQNJ-UHFFFAOYSA-N 2 2 365.437 3.228 20 5 FGBDLP CC[N@@H+](CC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600774409 507112981 /nfs/dbraw/zinc/11/29/81/507112981.db2.gz KJCXCWZULNPQNJ-UHFFFAOYSA-N 2 2 365.437 3.228 20 5 FGBDLP Cc1noc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595463668 507512123 /nfs/dbraw/zinc/51/21/23/507512123.db2.gz CBUYUTDMQMDNOH-UHFFFAOYSA-N 2 2 355.398 3.386 20 5 FGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cn21 ZINC000592403527 507643123 /nfs/dbraw/zinc/64/31/23/507643123.db2.gz NGLJUNAYPFCIRS-IAGOWNOFSA-N 2 2 368.441 3.063 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000162209068 705291359 /nfs/dbraw/zinc/29/13/59/705291359.db2.gz XNJLWGQXCWTOPY-ZIAGYGMSSA-N 2 2 354.248 3.074 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000162209068 705291364 /nfs/dbraw/zinc/29/13/64/705291364.db2.gz XNJLWGQXCWTOPY-ZIAGYGMSSA-N 2 2 354.248 3.074 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866307 494928552 /nfs/dbraw/zinc/92/85/52/494928552.db2.gz ZCROGULNFXNGGQ-OAHLLOKOSA-N 2 2 365.336 3.245 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866307 494928556 /nfs/dbraw/zinc/92/85/56/494928556.db2.gz ZCROGULNFXNGGQ-OAHLLOKOSA-N 2 2 365.336 3.245 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cs2)c1 ZINC000113320906 495296218 /nfs/dbraw/zinc/29/62/18/495296218.db2.gz JSRSLUKTVWMNOM-ZDUSSCGKSA-N 2 2 358.467 3.292 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cs2)c1 ZINC000113320906 495296220 /nfs/dbraw/zinc/29/62/20/495296220.db2.gz JSRSLUKTVWMNOM-ZDUSSCGKSA-N 2 2 358.467 3.292 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000130993016 495476762 /nfs/dbraw/zinc/47/67/62/495476762.db2.gz HVXREOQDWZLVQI-MRXNPFEDSA-N 2 2 371.437 3.009 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000130993016 495476765 /nfs/dbraw/zinc/47/67/65/495476765.db2.gz HVXREOQDWZLVQI-MRXNPFEDSA-N 2 2 371.437 3.009 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000332316097 498647020 /nfs/dbraw/zinc/64/70/20/498647020.db2.gz NXLRDDUXYROKQD-KZNAEPCWSA-N 2 2 360.502 3.146 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878441 499374591 /nfs/dbraw/zinc/37/45/91/499374591.db2.gz NSHUONKBVYUBTB-QOKNQOGYSA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878441 499374593 /nfs/dbraw/zinc/37/45/93/499374593.db2.gz NSHUONKBVYUBTB-QOKNQOGYSA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414934483 499846107 /nfs/dbraw/zinc/84/61/07/499846107.db2.gz UTVYHGPYEXQRIZ-SECBINFHSA-N 2 2 354.204 3.054 20 5 FGBDLP Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)cc2[N+](=O)[O-])cc1 ZINC000415099773 499863453 /nfs/dbraw/zinc/86/34/53/499863453.db2.gz ZEPDRWAUCDKDDQ-MRXNPFEDSA-N 2 2 373.478 3.132 20 5 FGBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000427101899 500353836 /nfs/dbraw/zinc/35/38/36/500353836.db2.gz DBTGVGCNIRMMDP-SUMWQHHRSA-N 2 2 357.410 3.047 20 5 FGBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000427101899 500353838 /nfs/dbraw/zinc/35/38/38/500353838.db2.gz DBTGVGCNIRMMDP-SUMWQHHRSA-N 2 2 357.410 3.047 20 5 FGBDLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423579150 500386415 /nfs/dbraw/zinc/38/64/15/500386415.db2.gz VUINHNYLPNROIV-KRWDZBQOSA-N 3 2 368.481 3.239 20 5 FGBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000432362804 500504742 /nfs/dbraw/zinc/50/47/42/500504742.db2.gz PETCAIPXFIFOJE-MRXNPFEDSA-N 2 2 373.453 3.445 20 5 FGBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000432362804 500504744 /nfs/dbraw/zinc/50/47/44/500504744.db2.gz PETCAIPXFIFOJE-MRXNPFEDSA-N 2 2 373.453 3.445 20 5 FGBDLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447510420 500614532 /nfs/dbraw/zinc/61/45/32/500614532.db2.gz PENHWFGOZQRBIN-FGTMMUONSA-N 2 2 357.458 3.168 20 5 FGBDLP Cc1ncsc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H]1CC[NH2+]C1 ZINC000435429274 500973210 /nfs/dbraw/zinc/97/32/10/500973210.db2.gz VHKAVKVOQFNKSI-HNNXBMFYSA-N 2 2 360.483 3.280 20 5 FGBDLP Cc1ncsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H]1CC[NH2+]C1 ZINC000435429274 500973214 /nfs/dbraw/zinc/97/32/14/500973214.db2.gz VHKAVKVOQFNKSI-HNNXBMFYSA-N 2 2 360.483 3.280 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596058723 506233137 /nfs/dbraw/zinc/23/31/37/506233137.db2.gz IMJLAGPXOWWVME-CQSZACIVSA-N 2 2 369.412 3.408 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596058723 506233140 /nfs/dbraw/zinc/23/31/40/506233140.db2.gz IMJLAGPXOWWVME-CQSZACIVSA-N 2 2 369.412 3.408 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599064195 506304669 /nfs/dbraw/zinc/30/46/69/506304669.db2.gz KZCSXGBNDFTVEK-HNAYVOBHSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599064195 506304670 /nfs/dbraw/zinc/30/46/70/506304670.db2.gz KZCSXGBNDFTVEK-HNAYVOBHSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153649 502586912 /nfs/dbraw/zinc/58/69/12/502586912.db2.gz BNBIPBXXKOAFBL-LRQRDZAKSA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153649 502586917 /nfs/dbraw/zinc/58/69/17/502586917.db2.gz BNBIPBXXKOAFBL-LRQRDZAKSA-N 2 2 369.465 3.128 20 5 FGBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503374280 503397033 /nfs/dbraw/zinc/39/70/33/503397033.db2.gz JRFALIQREMLQAO-MRXNPFEDSA-N 2 2 370.453 3.386 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000508486330 503503645 /nfs/dbraw/zinc/50/36/45/503503645.db2.gz CSIHVHBHBSYGAG-UHFFFAOYSA-N 2 2 353.382 3.245 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000535809212 504552388 /nfs/dbraw/zinc/55/23/88/504552388.db2.gz LMQYIVMQTQKAJE-IMFGXOCKSA-N 2 2 361.486 3.402 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000535809212 504552395 /nfs/dbraw/zinc/55/23/95/504552395.db2.gz LMQYIVMQTQKAJE-IMFGXOCKSA-N 2 2 361.486 3.402 20 5 FGBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000593314693 506533053 /nfs/dbraw/zinc/53/30/53/506533053.db2.gz FTTWLFZOSXAYOC-KSSFIOAISA-N 2 2 358.467 3.279 20 5 FGBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000593314693 506533058 /nfs/dbraw/zinc/53/30/58/506533058.db2.gz FTTWLFZOSXAYOC-KSSFIOAISA-N 2 2 358.467 3.279 20 5 FGBDLP O=[N+]([O-])c1ccc(CC[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000610575376 507296108 /nfs/dbraw/zinc/29/61/08/507296108.db2.gz XLMHWOQTMKLSOH-UHFFFAOYSA-N 2 2 361.486 3.010 20 5 FGBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404310 507664548 /nfs/dbraw/zinc/66/45/48/507664548.db2.gz GJTXKVPSVVEKBJ-LPHOPBHVSA-N 2 2 357.454 3.047 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253101843 713673855 /nfs/dbraw/zinc/67/38/55/713673855.db2.gz XNJLWGQXCWTOPY-KGLIPLIRSA-N 2 2 354.248 3.074 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253101843 713673858 /nfs/dbraw/zinc/67/38/58/713673858.db2.gz XNJLWGQXCWTOPY-KGLIPLIRSA-N 2 2 354.248 3.074 20 5 FGBDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000798958292 723980159 /nfs/dbraw/zinc/98/01/59/723980159.db2.gz SWJDVDHPXVRTEC-UHFFFAOYSA-N 2 2 356.264 3.275 20 5 FGBDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000798958292 723980162 /nfs/dbraw/zinc/98/01/62/723980162.db2.gz SWJDVDHPXVRTEC-UHFFFAOYSA-N 2 2 356.264 3.275 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC000051322993 493961819 /nfs/dbraw/zinc/96/18/19/493961819.db2.gz JUJYZNKZXRBFHR-QGZVFWFLSA-N 2 2 368.437 3.054 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC000051322993 493961823 /nfs/dbraw/zinc/96/18/23/493961823.db2.gz JUJYZNKZXRBFHR-QGZVFWFLSA-N 2 2 368.437 3.054 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150763942 495626125 /nfs/dbraw/zinc/62/61/25/495626125.db2.gz CKBFLLPIKLZUSX-LSDHHAIUSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150763942 495626127 /nfs/dbraw/zinc/62/61/27/495626127.db2.gz CKBFLLPIKLZUSX-LSDHHAIUSA-N 2 2 371.441 3.124 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174230016 495872896 /nfs/dbraw/zinc/87/28/96/495872896.db2.gz WNMFICDIPAYNPG-AEFFLSMTSA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174230016 495872901 /nfs/dbraw/zinc/87/29/01/495872901.db2.gz WNMFICDIPAYNPG-AEFFLSMTSA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000174230016 495872906 /nfs/dbraw/zinc/87/29/06/495872906.db2.gz WNMFICDIPAYNPG-AEFFLSMTSA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000174230016 495872911 /nfs/dbraw/zinc/87/29/11/495872911.db2.gz WNMFICDIPAYNPG-AEFFLSMTSA-N 2 2 374.485 3.179 20 5 FGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823490 497544738 /nfs/dbraw/zinc/54/47/38/497544738.db2.gz FGFLXUMJFZYBQV-MAUKXSAKSA-N 2 2 356.426 3.166 20 5 FGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823490 497544739 /nfs/dbraw/zinc/54/47/39/497544739.db2.gz FGFLXUMJFZYBQV-MAUKXSAKSA-N 2 2 356.426 3.166 20 5 FGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823490 497544740 /nfs/dbraw/zinc/54/47/40/497544740.db2.gz FGFLXUMJFZYBQV-MAUKXSAKSA-N 2 2 356.426 3.166 20 5 FGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823490 497544741 /nfs/dbraw/zinc/54/47/41/497544741.db2.gz FGFLXUMJFZYBQV-MAUKXSAKSA-N 2 2 356.426 3.166 20 5 FGBDLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284895247 497933733 /nfs/dbraw/zinc/93/37/33/497933733.db2.gz BZUWHCOGAWOTOB-GJZGRUSLSA-N 2 2 369.469 3.448 20 5 FGBDLP Cc1cc(N2CCC([NH+]3CCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301121533 497961428 /nfs/dbraw/zinc/96/14/28/497961428.db2.gz QXKZFDUKOQEHOA-UHFFFAOYSA-N 2 2 367.453 3.425 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991088 498225166 /nfs/dbraw/zinc/22/51/66/498225166.db2.gz NZWHVHPPDVRIQV-LIRRHRJNSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991088 498225170 /nfs/dbraw/zinc/22/51/70/498225170.db2.gz NZWHVHPPDVRIQV-LIRRHRJNSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292991088 498225175 /nfs/dbraw/zinc/22/51/75/498225175.db2.gz NZWHVHPPDVRIQV-LIRRHRJNSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991088 498225180 /nfs/dbraw/zinc/22/51/80/498225180.db2.gz NZWHVHPPDVRIQV-LIRRHRJNSA-N 2 2 371.441 3.124 20 5 FGBDLP Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833379 498285595 /nfs/dbraw/zinc/28/55/95/498285595.db2.gz SCEDEBRVUKMZCI-SUMWQHHRSA-N 2 2 355.442 3.137 20 5 FGBDLP Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833379 498285598 /nfs/dbraw/zinc/28/55/98/498285598.db2.gz SCEDEBRVUKMZCI-SUMWQHHRSA-N 2 2 355.442 3.137 20 5 FGBDLP CCOc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365190719 498343788 /nfs/dbraw/zinc/34/37/88/498343788.db2.gz IOMWSVWLIHSOER-HNNXBMFYSA-N 2 2 358.442 3.182 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000361755209 498427086 /nfs/dbraw/zinc/42/70/86/498427086.db2.gz KGUCFGUHUPNZFJ-AABGKKOBSA-N 2 2 373.497 3.006 20 5 FGBDLP Cn1cc[nH+]c1-c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000365810572 498650424 /nfs/dbraw/zinc/65/04/24/498650424.db2.gz BLLBYWDAVVCGMY-UHFFFAOYSA-N 2 2 367.365 3.193 20 5 FGBDLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC[NH2+]1 ZINC000414936212 499846323 /nfs/dbraw/zinc/84/63/23/499846323.db2.gz BSRXVPLVTTXPFQ-SFHVURJKSA-N 2 2 361.467 3.182 20 5 FGBDLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417308228 500036396 /nfs/dbraw/zinc/03/63/96/500036396.db2.gz HQZKHLDMMLJRNB-QUCCMNQESA-N 2 2 361.486 3.045 20 5 FGBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000429719858 500130649 /nfs/dbraw/zinc/13/06/49/500130649.db2.gz PIMNHDXIUARZBX-UHFFFAOYSA-N 2 2 357.410 3.220 20 5 FGBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000422638440 500284495 /nfs/dbraw/zinc/28/44/95/500284495.db2.gz QEVSVGQLLPWDBZ-LOWVWBTDSA-N 2 2 373.400 3.010 20 5 FGBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000422638440 500284498 /nfs/dbraw/zinc/28/44/98/500284498.db2.gz QEVSVGQLLPWDBZ-LOWVWBTDSA-N 2 2 373.400 3.010 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423202264 500354830 /nfs/dbraw/zinc/35/48/30/500354830.db2.gz QMRQCQWCAJVQMC-QGZVFWFLSA-N 2 2 357.458 3.059 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423342743 500365530 /nfs/dbraw/zinc/36/55/30/500365530.db2.gz VNMDISVFPIPFJU-UAOJZALGSA-N 2 2 355.438 3.400 20 5 FGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423494778 500379385 /nfs/dbraw/zinc/37/93/85/500379385.db2.gz BAEHYQPVRNDDFT-SQNIBIBYSA-N 2 2 357.458 3.127 20 5 FGBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434022864 500783241 /nfs/dbraw/zinc/78/32/41/500783241.db2.gz CAGWMWZPHRJJBU-LPHOPBHVSA-N 2 2 358.417 3.254 20 5 FGBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434022864 500783243 /nfs/dbraw/zinc/78/32/43/500783243.db2.gz CAGWMWZPHRJJBU-LPHOPBHVSA-N 2 2 358.417 3.254 20 5 FGBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434022864 500783245 /nfs/dbraw/zinc/78/32/45/500783245.db2.gz CAGWMWZPHRJJBU-LPHOPBHVSA-N 2 2 358.417 3.254 20 5 FGBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434022864 500783246 /nfs/dbraw/zinc/78/32/46/500783246.db2.gz CAGWMWZPHRJJBU-LPHOPBHVSA-N 2 2 358.417 3.254 20 5 FGBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000435372967 500961083 /nfs/dbraw/zinc/96/10/83/500961083.db2.gz CHAZBLGHDZOMIH-QGZVFWFLSA-N 2 2 354.454 3.404 20 5 FGBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000435372967 500961084 /nfs/dbraw/zinc/96/10/84/500961084.db2.gz CHAZBLGHDZOMIH-QGZVFWFLSA-N 2 2 354.454 3.404 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435391263 500966645 /nfs/dbraw/zinc/96/66/45/500966645.db2.gz DTPUMCVOQVUZIP-IBGZPJMESA-N 2 2 354.454 3.443 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435391263 500966647 /nfs/dbraw/zinc/96/66/47/500966647.db2.gz DTPUMCVOQVUZIP-IBGZPJMESA-N 2 2 354.454 3.443 20 5 FGBDLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496230 501017925 /nfs/dbraw/zinc/01/79/25/501017925.db2.gz GFUGVYRJKKTJHD-HNNXBMFYSA-N 2 2 360.483 3.493 20 5 FGBDLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496230 501017927 /nfs/dbraw/zinc/01/79/27/501017927.db2.gz GFUGVYRJKKTJHD-HNNXBMFYSA-N 2 2 360.483 3.493 20 5 FGBDLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000467843127 501888861 /nfs/dbraw/zinc/88/88/61/501888861.db2.gz UZALTVONXBWMQL-INIZCTEOSA-N 2 2 355.438 3.278 20 5 FGBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847870 501889847 /nfs/dbraw/zinc/88/98/47/501889847.db2.gz AKYPFFIKQNJDSD-LDQXTDLNSA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847870 501889850 /nfs/dbraw/zinc/88/98/50/501889850.db2.gz AKYPFFIKQNJDSD-LDQXTDLNSA-N 2 2 369.465 3.128 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599065120 506306484 /nfs/dbraw/zinc/30/64/84/506306484.db2.gz OJFMHDWNKJLGTC-HNAYVOBHSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599065120 506306487 /nfs/dbraw/zinc/30/64/87/506306487.db2.gz OJFMHDWNKJLGTC-HNAYVOBHSA-N 2 2 374.485 3.309 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000515308590 503311718 /nfs/dbraw/zinc/31/17/18/503311718.db2.gz RUXMATIGUYHNJZ-NSHDSACASA-N 2 2 354.332 3.337 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000515308590 503311722 /nfs/dbraw/zinc/31/17/22/503311722.db2.gz RUXMATIGUYHNJZ-NSHDSACASA-N 2 2 354.332 3.337 20 5 FGBDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000590594411 506871874 /nfs/dbraw/zinc/87/18/74/506871874.db2.gz QTWLALIWORWDGE-INIZCTEOSA-N 2 2 354.454 3.348 20 5 FGBDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000610272705 507169559 /nfs/dbraw/zinc/16/95/59/507169559.db2.gz FFSVNUUVDXECOU-UHFFFAOYSA-N 2 2 374.872 3.290 20 5 FGBDLP COc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594735214 507259548 /nfs/dbraw/zinc/25/95/48/507259548.db2.gz IDGMCUVSMBCOJM-UHFFFAOYSA-N 2 2 373.453 3.352 20 5 FGBDLP COc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594735214 507259555 /nfs/dbraw/zinc/25/95/55/507259555.db2.gz IDGMCUVSMBCOJM-UHFFFAOYSA-N 2 2 373.453 3.352 20 5 FGBDLP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601103668 507261243 /nfs/dbraw/zinc/26/12/43/507261243.db2.gz FOAQKZICSWRWKC-UHFFFAOYSA-N 2 2 367.409 3.070 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000602508574 507731649 /nfs/dbraw/zinc/73/16/49/507731649.db2.gz USVJLDMDGANQGG-UHFFFAOYSA-N 2 2 360.277 3.135 20 5 FGBDLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811476448 725368081 /nfs/dbraw/zinc/36/80/81/725368081.db2.gz LFPDGFMBFKNUDM-UHFFFAOYSA-N 2 2 362.257 3.102 20 5 FGBDLP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000842471601 730506532 /nfs/dbraw/zinc/50/65/32/730506532.db2.gz LIXAIMLYBNFTIP-OAHLLOKOSA-N 2 2 363.845 3.431 20 5 FGBDLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000842471601 730506534 /nfs/dbraw/zinc/50/65/34/730506534.db2.gz LIXAIMLYBNFTIP-OAHLLOKOSA-N 2 2 363.845 3.431 20 5 FGBDLP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005832 493811750 /nfs/dbraw/zinc/81/17/50/493811750.db2.gz UGUWRFVMUHSJDC-UHFFFAOYSA-N 2 2 368.481 3.171 20 5 FGBDLP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005832 493811753 /nfs/dbraw/zinc/81/17/53/493811753.db2.gz UGUWRFVMUHSJDC-UHFFFAOYSA-N 2 2 368.481 3.171 20 5 FGBDLP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180242532 495922445 /nfs/dbraw/zinc/92/24/45/495922445.db2.gz MSWMRDHDPDEERX-OAQYLSRUSA-N 2 2 369.465 3.385 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000152847808 496274775 /nfs/dbraw/zinc/27/47/75/496274775.db2.gz JEXUJSBKTWQZMR-CQSZACIVSA-N 2 2 367.409 3.425 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000273756056 496897370 /nfs/dbraw/zinc/89/73/70/496897370.db2.gz OLFJBZIEBQZGHG-SFHVURJKSA-N 2 2 371.485 3.129 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000189995758 497319140 /nfs/dbraw/zinc/31/91/40/497319140.db2.gz ZHBUADPLTLZGNM-RHSMWYFYSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000189995758 497319147 /nfs/dbraw/zinc/31/91/47/497319147.db2.gz ZHBUADPLTLZGNM-RHSMWYFYSA-N 2 2 369.893 3.475 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246134465 497634041 /nfs/dbraw/zinc/63/40/41/497634041.db2.gz CKBFLLPIKLZUSX-GJZGRUSLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246134465 497634044 /nfs/dbraw/zinc/63/40/44/497634044.db2.gz CKBFLLPIKLZUSX-GJZGRUSLSA-N 2 2 371.441 3.124 20 5 FGBDLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000272843378 497743035 /nfs/dbraw/zinc/74/30/35/497743035.db2.gz NHSHSIRMVMLVNJ-UHFFFAOYSA-N 2 2 367.409 3.070 20 5 FGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490777 497752549 /nfs/dbraw/zinc/75/25/49/497752549.db2.gz PEMFSUWQXAVMLV-SWLSCSKDSA-N 2 2 355.385 3.112 20 5 FGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490777 497752553 /nfs/dbraw/zinc/75/25/53/497752553.db2.gz PEMFSUWQXAVMLV-SWLSCSKDSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490777 497752555 /nfs/dbraw/zinc/75/25/55/497752555.db2.gz PEMFSUWQXAVMLV-SWLSCSKDSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490777 497752558 /nfs/dbraw/zinc/75/25/58/497752558.db2.gz PEMFSUWQXAVMLV-SWLSCSKDSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301513620 498142418 /nfs/dbraw/zinc/14/24/18/498142418.db2.gz DPBLSHWQYYNRTC-UHFFFAOYSA-N 2 2 360.380 3.052 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369589683 499423520 /nfs/dbraw/zinc/42/35/20/499423520.db2.gz AVYIIWNNONDVMS-DYVFJYSZSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369589683 499423522 /nfs/dbraw/zinc/42/35/22/499423522.db2.gz AVYIIWNNONDVMS-DYVFJYSZSA-N 2 2 360.483 3.360 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000377642238 499714504 /nfs/dbraw/zinc/71/45/04/499714504.db2.gz BHQBYAYRVJCOJO-GOEBONIOSA-N 2 2 358.467 3.435 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000377642238 499714507 /nfs/dbraw/zinc/71/45/07/499714507.db2.gz BHQBYAYRVJCOJO-GOEBONIOSA-N 2 2 358.467 3.435 20 5 FGBDLP COc1ccc([C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[NH2+]2)cc1 ZINC000422779939 500296627 /nfs/dbraw/zinc/29/66/27/500296627.db2.gz CKKRSPBAINTXDO-AZUAARDMSA-N 2 2 355.438 3.229 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423502859 500380060 /nfs/dbraw/zinc/38/00/60/500380060.db2.gz FHASXDLTZYRJBR-JCGIZDLHSA-N 2 2 355.438 3.400 20 5 FGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447512640 500614611 /nfs/dbraw/zinc/61/46/11/500614611.db2.gz QHSYTIFUCWVMII-QAPCUYQASA-N 2 2 368.441 3.223 20 5 FGBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137193 500633552 /nfs/dbraw/zinc/63/35/52/500633552.db2.gz SFGHXZJMEVMHER-LPHOPBHVSA-N 2 2 361.486 3.264 20 5 FGBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137193 500633557 /nfs/dbraw/zinc/63/35/57/500633557.db2.gz SFGHXZJMEVMHER-LPHOPBHVSA-N 2 2 361.486 3.264 20 5 FGBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137194 500633634 /nfs/dbraw/zinc/63/36/34/500633634.db2.gz SFGHXZJMEVMHER-QFBILLFUSA-N 2 2 361.486 3.264 20 5 FGBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137194 500633637 /nfs/dbraw/zinc/63/36/37/500633637.db2.gz SFGHXZJMEVMHER-QFBILLFUSA-N 2 2 361.486 3.264 20 5 FGBDLP Cc1ncsc1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000435427825 500973072 /nfs/dbraw/zinc/97/30/72/500973072.db2.gz NMTFYGJBUVQFLV-DQOPKJQZSA-N 2 2 372.494 3.485 20 5 FGBDLP Cc1ncsc1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000435427825 500973075 /nfs/dbraw/zinc/97/30/75/500973075.db2.gz NMTFYGJBUVQFLV-DQOPKJQZSA-N 2 2 372.494 3.485 20 5 FGBDLP O=[N+]([O-])c1c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc2c[nH+]ccc21 ZINC000599048429 506292574 /nfs/dbraw/zinc/29/25/74/506292574.db2.gz JABTTXDMOOPTNU-AWEZNQCLSA-N 2 2 356.426 3.056 20 5 FGBDLP Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489237279 502908070 /nfs/dbraw/zinc/90/80/70/502908070.db2.gz ZOSPIXQNOCQIBF-HNNXBMFYSA-N 2 2 369.469 3.316 20 5 FGBDLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555419161 505429033 /nfs/dbraw/zinc/42/90/33/505429033.db2.gz YMZNMYURCWPLQW-UHFFFAOYSA-N 2 2 370.453 3.434 20 5 FGBDLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555419161 505429036 /nfs/dbraw/zinc/42/90/36/505429036.db2.gz YMZNMYURCWPLQW-UHFFFAOYSA-N 2 2 370.453 3.434 20 5 FGBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000123006469 700698762 /nfs/dbraw/zinc/69/87/62/700698762.db2.gz FDMQNGZCAOECJP-UHFFFAOYSA-N 2 2 356.264 3.273 20 5 FGBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000123006469 700698764 /nfs/dbraw/zinc/69/87/64/700698764.db2.gz FDMQNGZCAOECJP-UHFFFAOYSA-N 2 2 356.264 3.273 20 5 FGBDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892725 496815869 /nfs/dbraw/zinc/81/58/69/496815869.db2.gz JQMADLRXKTVDFI-HUUCEWRRSA-N 2 2 374.510 3.220 20 5 FGBDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892725 496815876 /nfs/dbraw/zinc/81/58/76/496815876.db2.gz JQMADLRXKTVDFI-HUUCEWRRSA-N 2 2 374.510 3.220 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000277198172 497773046 /nfs/dbraw/zinc/77/30/46/497773046.db2.gz MJWASJMAVBWTKQ-ZDUSSCGKSA-N 2 2 373.400 3.121 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000277198172 497773052 /nfs/dbraw/zinc/77/30/52/497773052.db2.gz MJWASJMAVBWTKQ-ZDUSSCGKSA-N 2 2 373.400 3.121 20 5 FGBDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000373185838 499456156 /nfs/dbraw/zinc/45/61/56/499456156.db2.gz LVECPKRLEMPATB-UXPWSPDFSA-N 2 2 371.485 3.452 20 5 FGBDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000373185838 499456157 /nfs/dbraw/zinc/45/61/57/499456157.db2.gz LVECPKRLEMPATB-UXPWSPDFSA-N 2 2 371.485 3.452 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231042 499492618 /nfs/dbraw/zinc/49/26/18/499492618.db2.gz REGAIWQBUJYWHP-ROUUACIJSA-N 2 2 358.442 3.113 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231042 499492619 /nfs/dbraw/zinc/49/26/19/499492619.db2.gz REGAIWQBUJYWHP-ROUUACIJSA-N 2 2 358.442 3.113 20 5 FGBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Oc1ccccc1Cl ZINC000415035826 499856897 /nfs/dbraw/zinc/85/68/97/499856897.db2.gz LBCPGQUVSZJJNQ-MCBXIFIFSA-N 2 2 359.813 3.348 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423342741 500365369 /nfs/dbraw/zinc/36/53/69/500365369.db2.gz VNMDISVFPIPFJU-GKCIPKSASA-N 2 2 355.438 3.400 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448025893 500708910 /nfs/dbraw/zinc/70/89/10/500708910.db2.gz GHGGLPWMHJVCNN-WMLDXEAASA-N 2 2 362.474 3.022 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448025893 500708913 /nfs/dbraw/zinc/70/89/13/500708913.db2.gz GHGGLPWMHJVCNN-WMLDXEAASA-N 2 2 362.474 3.022 20 5 FGBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)n1 ZINC000472615109 502401120 /nfs/dbraw/zinc/40/11/20/502401120.db2.gz ZBRZCIOIZNVYLL-AEFFLSMTSA-N 2 2 366.425 3.251 20 5 FGBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000519567383 504256399 /nfs/dbraw/zinc/25/63/99/504256399.db2.gz DZDSGHUPXQQVAI-UHFFFAOYSA-N 2 2 357.410 3.220 20 5 FGBDLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000553576171 504953380 /nfs/dbraw/zinc/95/33/80/504953380.db2.gz XJGRBVLCSCYAPS-UHFFFAOYSA-N 2 2 352.394 3.138 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000560527798 505115677 /nfs/dbraw/zinc/11/56/77/505115677.db2.gz BUMILAWPSMHYKJ-IBGZPJMESA-N 2 2 371.485 3.272 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000560527798 505115679 /nfs/dbraw/zinc/11/56/79/505115679.db2.gz BUMILAWPSMHYKJ-IBGZPJMESA-N 2 2 371.485 3.272 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595081621 507382504 /nfs/dbraw/zinc/38/25/04/507382504.db2.gz SZFVXNPKFLZCSA-WBVHZDCISA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595081621 507382510 /nfs/dbraw/zinc/38/25/10/507382510.db2.gz SZFVXNPKFLZCSA-WBVHZDCISA-N 2 2 374.485 3.309 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000595081956 507384150 /nfs/dbraw/zinc/38/41/50/507384150.db2.gz UUYALENNEADZOV-RYQLBKOJSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000595081956 507384156 /nfs/dbraw/zinc/38/41/56/507384156.db2.gz UUYALENNEADZOV-RYQLBKOJSA-N 2 2 361.490 3.272 20 5 FGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cn21 ZINC000592403528 507643273 /nfs/dbraw/zinc/64/32/73/507643273.db2.gz NGLJUNAYPFCIRS-IRXDYDNUSA-N 2 2 368.441 3.063 20 5 FGBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404312 507664715 /nfs/dbraw/zinc/66/47/15/507664715.db2.gz GJTXKVPSVVEKBJ-VQIMIIECSA-N 2 2 357.454 3.047 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000602515756 507733563 /nfs/dbraw/zinc/73/35/63/507733563.db2.gz DFLZTBZKSUECKW-VHSXEESVSA-N 2 2 360.277 3.135 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000602515756 507733567 /nfs/dbraw/zinc/73/35/67/507733567.db2.gz DFLZTBZKSUECKW-VHSXEESVSA-N 2 2 360.277 3.135 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000787301685 725024004 /nfs/dbraw/zinc/02/40/04/725024004.db2.gz CNHJGEGKTMBQON-YOEHRIQHSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000787301685 725024006 /nfs/dbraw/zinc/02/40/06/725024006.db2.gz CNHJGEGKTMBQON-YOEHRIQHSA-N 2 2 369.893 3.475 20 5 FGBDLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000842471600 730506743 /nfs/dbraw/zinc/50/67/43/730506743.db2.gz LIXAIMLYBNFTIP-HNNXBMFYSA-N 2 2 363.845 3.431 20 5 FGBDLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000842471600 730506744 /nfs/dbraw/zinc/50/67/44/730506744.db2.gz LIXAIMLYBNFTIP-HNNXBMFYSA-N 2 2 363.845 3.431 20 5 FGBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000579977888 505656227 /nfs/dbraw/zinc/65/62/27/505656227.db2.gz LDBMLMYDUQCWTP-HXUWFJFHSA-N 2 2 367.449 3.204 20 5 FGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912737 494399650 /nfs/dbraw/zinc/39/96/50/494399650.db2.gz AFDZSGDWMCWCAB-KDOFPFPSSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912737 494399654 /nfs/dbraw/zinc/39/96/54/494399654.db2.gz AFDZSGDWMCWCAB-KDOFPFPSSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912737 494399658 /nfs/dbraw/zinc/39/96/58/494399658.db2.gz AFDZSGDWMCWCAB-KDOFPFPSSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912737 494399663 /nfs/dbraw/zinc/39/96/63/494399663.db2.gz AFDZSGDWMCWCAB-KDOFPFPSSA-N 2 2 358.442 3.412 20 5 FGBDLP CC(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147572 494834090 /nfs/dbraw/zinc/83/40/90/494834090.db2.gz DOSUUCNPMHTUFZ-IBGZPJMESA-N 2 2 374.529 3.320 20 5 FGBDLP CC(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147572 494834093 /nfs/dbraw/zinc/83/40/93/494834093.db2.gz DOSUUCNPMHTUFZ-IBGZPJMESA-N 2 2 374.529 3.320 20 5 FGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000093664525 494909779 /nfs/dbraw/zinc/90/97/79/494909779.db2.gz UMNLYOZUPGBIIO-MRXNPFEDSA-N 2 2 371.437 3.009 20 5 FGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000093664525 494909782 /nfs/dbraw/zinc/90/97/82/494909782.db2.gz UMNLYOZUPGBIIO-MRXNPFEDSA-N 2 2 371.437 3.009 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000152694752 496229067 /nfs/dbraw/zinc/22/90/67/496229067.db2.gz DXEIXFQEXUOTKG-OAGGEKHMSA-N 2 2 365.474 3.143 20 5 FGBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000247701946 496907992 /nfs/dbraw/zinc/90/79/92/496907992.db2.gz UUGUCUGIAYOREZ-KSSFIOAISA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000247701946 496907995 /nfs/dbraw/zinc/90/79/95/496907995.db2.gz UUGUCUGIAYOREZ-KSSFIOAISA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1nn(C)c(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1[N+](=O)[O-] ZINC000265588859 497144359 /nfs/dbraw/zinc/14/43/59/497144359.db2.gz OWMABOMGANQHRH-UHFFFAOYSA-N 2 2 372.473 3.158 20 5 FGBDLP Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000276979141 497706404 /nfs/dbraw/zinc/70/64/04/497706404.db2.gz FLCNDHHZZSESNA-MRXNPFEDSA-N 2 2 355.442 3.281 20 5 FGBDLP Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301822577 498280533 /nfs/dbraw/zinc/28/05/33/498280533.db2.gz KSTFCNJSELBTRV-INIZCTEOSA-N 2 2 367.453 3.282 20 5 FGBDLP Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833377 498285062 /nfs/dbraw/zinc/28/50/62/498285062.db2.gz SCEDEBRVUKMZCI-DYVFJYSZSA-N 2 2 355.442 3.137 20 5 FGBDLP Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833377 498285065 /nfs/dbraw/zinc/28/50/65/498285065.db2.gz SCEDEBRVUKMZCI-DYVFJYSZSA-N 2 2 355.442 3.137 20 5 FGBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000372515955 499137267 /nfs/dbraw/zinc/13/72/67/499137267.db2.gz IOWAREKBZBEZOI-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000372515955 499137269 /nfs/dbraw/zinc/13/72/69/499137269.db2.gz IOWAREKBZBEZOI-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000372515955 499137272 /nfs/dbraw/zinc/13/72/72/499137272.db2.gz IOWAREKBZBEZOI-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000367350794 499186308 /nfs/dbraw/zinc/18/63/08/499186308.db2.gz XMQYUCRFFDTFNP-UHFFFAOYSA-N 2 2 374.510 3.492 20 5 FGBDLP CC(C)[N@H+]1CCc2nc(C[NH+](C)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000367350794 499186310 /nfs/dbraw/zinc/18/63/10/499186310.db2.gz XMQYUCRFFDTFNP-UHFFFAOYSA-N 2 2 374.510 3.492 20 5 FGBDLP CC(C)[NH+]1CCc2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000367350794 499186312 /nfs/dbraw/zinc/18/63/12/499186312.db2.gz XMQYUCRFFDTFNP-UHFFFAOYSA-N 2 2 374.510 3.492 20 5 FGBDLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000367350794 499186314 /nfs/dbraw/zinc/18/63/14/499186314.db2.gz XMQYUCRFFDTFNP-UHFFFAOYSA-N 2 2 374.510 3.492 20 5 FGBDLP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414848597 499837715 /nfs/dbraw/zinc/83/77/15/499837715.db2.gz QAXJRKCZNCUNLL-KRWDZBQOSA-N 2 2 371.437 3.024 20 5 FGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414886103 499841556 /nfs/dbraw/zinc/84/15/56/499841556.db2.gz CHCHBBTWEAMZNY-JZPMYCAGSA-N 2 2 355.413 3.482 20 5 FGBDLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000414944618 499847204 /nfs/dbraw/zinc/84/72/04/499847204.db2.gz HEBWAFSIZKIROM-MAUKXSAKSA-N 2 2 361.392 3.417 20 5 FGBDLP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000430559593 500254270 /nfs/dbraw/zinc/25/42/70/500254270.db2.gz DRMVRZVXZAZYSY-GFCCVEGCSA-N 2 2 361.389 3.010 20 5 FGBDLP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000430559593 500254273 /nfs/dbraw/zinc/25/42/73/500254273.db2.gz DRMVRZVXZAZYSY-GFCCVEGCSA-N 2 2 361.389 3.010 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000423322263 500364029 /nfs/dbraw/zinc/36/40/29/500364029.db2.gz GIOUIWCLYLKQCS-UIAACRFSSA-N 2 2 369.465 3.270 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423415628 500372958 /nfs/dbraw/zinc/37/29/58/500372958.db2.gz DXSMALJKABXNFD-UXHICEINSA-N 2 2 351.450 3.393 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000420630055 500480311 /nfs/dbraw/zinc/48/03/11/500480311.db2.gz SAQYWMIFUWGZCI-UHFFFAOYSA-N 2 2 366.893 3.245 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000420630055 500480312 /nfs/dbraw/zinc/48/03/12/500480312.db2.gz SAQYWMIFUWGZCI-UHFFFAOYSA-N 2 2 366.893 3.245 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976257 500545585 /nfs/dbraw/zinc/54/55/85/500545585.db2.gz GOVZYALHHUJNQI-QGZVFWFLSA-N 2 2 360.502 3.148 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976257 500545587 /nfs/dbraw/zinc/54/55/87/500545587.db2.gz GOVZYALHHUJNQI-QGZVFWFLSA-N 2 2 360.502 3.148 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000469769917 502538901 /nfs/dbraw/zinc/53/89/01/502538901.db2.gz RNWXPHXSBDYJAC-YOEHRIQHSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000469769917 502538906 /nfs/dbraw/zinc/53/89/06/502538906.db2.gz RNWXPHXSBDYJAC-YOEHRIQHSA-N 2 2 369.893 3.475 20 5 FGBDLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136647 502579770 /nfs/dbraw/zinc/57/97/70/502579770.db2.gz VSURXHLCMKJNGF-NHCUHLMSSA-N 2 2 369.465 3.273 20 5 FGBDLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136647 502579776 /nfs/dbraw/zinc/57/97/76/502579776.db2.gz VSURXHLCMKJNGF-NHCUHLMSSA-N 2 2 369.465 3.273 20 5 FGBDLP Cc1cc(NC2CC([NH+]3CCCCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000480827976 502681493 /nfs/dbraw/zinc/68/14/93/502681493.db2.gz YXLHJMIFFCVKGG-UHFFFAOYSA-N 2 2 367.453 3.211 20 5 FGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000504920337 502824410 /nfs/dbraw/zinc/82/44/10/502824410.db2.gz NNPRCAZANKQQFM-HZPDHXFCSA-N 2 2 367.515 3.023 20 5 FGBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000542466536 504501727 /nfs/dbraw/zinc/50/17/27/504501727.db2.gz LYSYIRUYBHELRZ-UHFFFAOYSA-N 2 2 369.450 3.164 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595078722 507382405 /nfs/dbraw/zinc/38/24/05/507382405.db2.gz AJGRLIYDGNEQPJ-WBVHZDCISA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595078722 507382409 /nfs/dbraw/zinc/38/24/09/507382409.db2.gz AJGRLIYDGNEQPJ-WBVHZDCISA-N 2 2 374.485 3.309 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCC3(F)F)o2)c1 ZINC000903955238 743904635 /nfs/dbraw/zinc/90/46/35/743904635.db2.gz NNUCGWLDOMDTJQ-CYBMUJFWSA-N 2 2 351.353 3.189 20 5 FGBDLP C[NH+](C)Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032242976 493977893 /nfs/dbraw/zinc/97/78/93/493977893.db2.gz FTUUFFXDVQLFJP-UHFFFAOYSA-N 2 2 365.393 3.094 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134752847 495195752 /nfs/dbraw/zinc/19/57/52/495195752.db2.gz JBYUBYYIKDNDKU-MRXNPFEDSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134752847 495195756 /nfs/dbraw/zinc/19/57/56/495195756.db2.gz JBYUBYYIKDNDKU-MRXNPFEDSA-N 2 2 374.485 3.181 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CC[NH+](C4CC4)CC3)cs2)c1 ZINC000113316837 495295412 /nfs/dbraw/zinc/29/54/12/495295412.db2.gz KVBNNWAFCPPXMY-UHFFFAOYSA-N 2 2 358.467 3.435 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393645 495574366 /nfs/dbraw/zinc/57/43/66/495574366.db2.gz QNVPZXAHKUIUKH-DOTOQJQBSA-N 2 2 365.474 3.001 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393645 495574370 /nfs/dbraw/zinc/57/43/70/495574370.db2.gz QNVPZXAHKUIUKH-DOTOQJQBSA-N 2 2 365.474 3.001 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000152870309 496280910 /nfs/dbraw/zinc/28/09/10/496280910.db2.gz SWWSCFFHYHOENF-AWEZNQCLSA-N 2 2 358.442 3.420 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247730285 496910087 /nfs/dbraw/zinc/91/00/87/496910087.db2.gz VCBNABFCPZEBHW-KDOFPFPSSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247730285 496910092 /nfs/dbraw/zinc/91/00/92/496910092.db2.gz VCBNABFCPZEBHW-KDOFPFPSSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273576 498382079 /nfs/dbraw/zinc/38/20/79/498382079.db2.gz ZSRNLLWQKQOYCB-SFHVURJKSA-N 2 2 366.425 3.123 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273576 498382082 /nfs/dbraw/zinc/38/20/82/498382082.db2.gz ZSRNLLWQKQOYCB-SFHVURJKSA-N 2 2 366.425 3.123 20 5 FGBDLP Cc1c(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000299344833 499030158 /nfs/dbraw/zinc/03/01/58/499030158.db2.gz KJSQIGQBVADIPU-UHFFFAOYSA-N 2 2 374.485 3.182 20 5 FGBDLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000367667645 499222807 /nfs/dbraw/zinc/22/28/07/499222807.db2.gz CHKKTXYELPYYNO-UHFFFAOYSA-N 2 2 354.454 3.395 20 5 FGBDLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000367667645 499222809 /nfs/dbraw/zinc/22/28/09/499222809.db2.gz CHKKTXYELPYYNO-UHFFFAOYSA-N 2 2 354.454 3.395 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367672715 499223555 /nfs/dbraw/zinc/22/35/55/499223555.db2.gz RZRWJQJCIFYDGS-UHFFFAOYSA-N 2 2 354.454 3.395 20 5 FGBDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000371151067 499293635 /nfs/dbraw/zinc/29/36/35/499293635.db2.gz KJZZRDCDMDEIGA-UHFFFAOYSA-N 3 2 374.529 3.223 20 5 FGBDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000371151067 499293636 /nfs/dbraw/zinc/29/36/36/499293636.db2.gz KJZZRDCDMDEIGA-UHFFFAOYSA-N 3 2 374.529 3.223 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000368963344 499351306 /nfs/dbraw/zinc/35/13/06/499351306.db2.gz AVIGNXWQTIKFHT-LIRRHRJNSA-N 2 2 374.510 3.402 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000368963344 499351308 /nfs/dbraw/zinc/35/13/08/499351308.db2.gz AVIGNXWQTIKFHT-LIRRHRJNSA-N 2 2 374.510 3.402 20 5 FGBDLP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414790760 499831704 /nfs/dbraw/zinc/83/17/04/499831704.db2.gz GTPUEOGVRZCYBZ-QGZVFWFLSA-N 2 2 373.453 3.255 20 5 FGBDLP O=[N+]([O-])c1c(NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc2c[nH+]ccc21 ZINC000599048430 506292556 /nfs/dbraw/zinc/29/25/56/506292556.db2.gz JABTTXDMOOPTNU-CQSZACIVSA-N 2 2 356.426 3.056 20 5 FGBDLP C[C@H]1C[NH+](CCCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599062423 506302297 /nfs/dbraw/zinc/30/22/97/506302297.db2.gz PUNDMJZPFNTMKQ-GJZGRUSLSA-N 2 2 358.442 3.444 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000469769915 502539092 /nfs/dbraw/zinc/53/90/92/502539092.db2.gz RNWXPHXSBDYJAC-RHSMWYFYSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000469769915 502539096 /nfs/dbraw/zinc/53/90/96/502539096.db2.gz RNWXPHXSBDYJAC-RHSMWYFYSA-N 2 2 369.893 3.475 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000596317320 506355577 /nfs/dbraw/zinc/35/55/77/506355577.db2.gz XUEVSCACXFHHBV-UHFFFAOYSA-N 2 2 370.453 3.446 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157785 506797288 /nfs/dbraw/zinc/79/72/88/506797288.db2.gz WXGIPMSGGVVNKN-CZUORRHYSA-N 2 2 368.397 3.239 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157785 506797290 /nfs/dbraw/zinc/79/72/90/506797290.db2.gz WXGIPMSGGVVNKN-CZUORRHYSA-N 2 2 368.397 3.239 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000595010420 507352388 /nfs/dbraw/zinc/35/23/88/507352388.db2.gz CGKMQHOGXYMLNA-OAHLLOKOSA-N 2 2 370.453 3.314 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511034 507538848 /nfs/dbraw/zinc/53/88/48/507538848.db2.gz OKWPNYCIPAGWAO-UHFFFAOYSA-N 2 2 355.438 3.228 20 5 FGBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000611287784 507605513 /nfs/dbraw/zinc/60/55/13/507605513.db2.gz JKUDUSWJPRYLOZ-HUUCEWRRSA-N 2 2 357.385 3.177 20 5 FGBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969131 493804075 /nfs/dbraw/zinc/80/40/75/493804075.db2.gz WYGMEVNYWKWYMP-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969131 493804079 /nfs/dbraw/zinc/80/40/79/493804079.db2.gz WYGMEVNYWKWYMP-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746181 497525718 /nfs/dbraw/zinc/52/57/18/497525718.db2.gz AFDZSGDWMCWCAB-KSSFIOAISA-N 2 2 358.442 3.412 20 5 FGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746181 497525723 /nfs/dbraw/zinc/52/57/23/497525723.db2.gz AFDZSGDWMCWCAB-KSSFIOAISA-N 2 2 358.442 3.412 20 5 FGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746181 497525728 /nfs/dbraw/zinc/52/57/28/497525728.db2.gz AFDZSGDWMCWCAB-KSSFIOAISA-N 2 2 358.442 3.412 20 5 FGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746181 497525733 /nfs/dbraw/zinc/52/57/33/497525733.db2.gz AFDZSGDWMCWCAB-KSSFIOAISA-N 2 2 358.442 3.412 20 5 FGBDLP CCc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569407431 505926484 /nfs/dbraw/zinc/92/64/84/505926484.db2.gz XEBBGTGLENUSRL-IBGZPJMESA-N 2 2 354.410 3.405 20 5 FGBDLP COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000575778144 506002985 /nfs/dbraw/zinc/00/29/85/506002985.db2.gz NJIQIGRJLGARCP-UHFFFAOYSA-N 2 2 358.442 3.492 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000371312187 499308877 /nfs/dbraw/zinc/30/88/77/499308877.db2.gz CIMUNKQEPSAWFL-AWEZNQCLSA-N 2 2 367.409 3.425 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878440 499374620 /nfs/dbraw/zinc/37/46/20/499374620.db2.gz NSHUONKBVYUBTB-GMBSWORKSA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878440 499374622 /nfs/dbraw/zinc/37/46/22/499374622.db2.gz NSHUONKBVYUBTB-GMBSWORKSA-N 2 2 357.458 3.062 20 5 FGBDLP CC[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414834216 499835741 /nfs/dbraw/zinc/83/57/41/499835741.db2.gz SXYIQDJZOGVBBR-UHFFFAOYSA-N 2 2 365.437 3.147 20 5 FGBDLP COc1ccc([C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]2CCC[NH2+]2)cc1 ZINC000423013516 500330860 /nfs/dbraw/zinc/33/08/60/500330860.db2.gz NAERBFSMGXHOJX-WOJBJXKFSA-N 2 2 355.438 3.229 20 5 FGBDLP Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420220720 500426220 /nfs/dbraw/zinc/42/62/20/500426220.db2.gz SYDBEXTZBODDSY-GOSISDBHSA-N 2 2 367.453 3.329 20 5 FGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447512639 500614746 /nfs/dbraw/zinc/61/47/46/500614746.db2.gz QHSYTIFUCWVMII-MAUKXSAKSA-N 2 2 368.441 3.223 20 5 FGBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137195 500633453 /nfs/dbraw/zinc/63/34/53/500633453.db2.gz SFGHXZJMEVMHER-VQIMIIECSA-N 2 2 361.486 3.264 20 5 FGBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137195 500633457 /nfs/dbraw/zinc/63/34/57/500633457.db2.gz SFGHXZJMEVMHER-VQIMIIECSA-N 2 2 361.486 3.264 20 5 FGBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000435372966 500961523 /nfs/dbraw/zinc/96/15/23/500961523.db2.gz CHAZBLGHDZOMIH-KRWDZBQOSA-N 2 2 354.454 3.404 20 5 FGBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000435372966 500961525 /nfs/dbraw/zinc/96/15/25/500961525.db2.gz CHAZBLGHDZOMIH-KRWDZBQOSA-N 2 2 354.454 3.404 20 5 FGBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000596103113 506260634 /nfs/dbraw/zinc/26/06/34/506260634.db2.gz AGJAUELZHDKJRE-OAHLLOKOSA-N 2 2 365.437 3.145 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc4cnccc4c3[N+](=O)[O-])CC2)CC1 ZINC000599035474 506287333 /nfs/dbraw/zinc/28/73/33/506287333.db2.gz LOXVUFLVIARNKS-UHFFFAOYSA-N 2 2 369.469 3.114 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])c2cc1C ZINC000538227681 504168856 /nfs/dbraw/zinc/16/88/56/504168856.db2.gz BPBHFZZCWUCUNU-HOTGVXAUSA-N 2 2 368.437 3.273 20 5 FGBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543064124 504709856 /nfs/dbraw/zinc/70/98/56/504709856.db2.gz TXZJCJAUGMMHOO-UHFFFAOYSA-N 2 2 358.442 3.363 20 5 FGBDLP CCC(CC)[C@@H](CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000552234813 505435941 /nfs/dbraw/zinc/43/59/41/505435941.db2.gz LRQGHADBHLPYTG-RTBURBONSA-N 2 2 373.501 3.374 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)o2)c1 ZINC000594994947 507346554 /nfs/dbraw/zinc/34/65/54/507346554.db2.gz XSXCUPSZXVUUKA-SFHVURJKSA-N 2 2 371.437 3.198 20 5 FGBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000611132458 507528317 /nfs/dbraw/zinc/52/83/17/507528317.db2.gz IDIIQVIRKPBYHG-ZDUSSCGKSA-N 2 2 372.391 3.194 20 5 FGBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000611132458 507528319 /nfs/dbraw/zinc/52/83/19/507528319.db2.gz IDIIQVIRKPBYHG-ZDUSSCGKSA-N 2 2 372.391 3.194 20 5 FGBDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288019 737547385 /nfs/dbraw/zinc/54/73/85/737547385.db2.gz OOTLPGWSYPTIRM-UHFFFAOYSA-N 2 2 365.231 3.108 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393634 495574550 /nfs/dbraw/zinc/57/45/50/495574550.db2.gz QNVPZXAHKUIUKH-NVXWUHKLSA-N 2 2 365.474 3.001 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393634 495574555 /nfs/dbraw/zinc/57/45/55/495574555.db2.gz QNVPZXAHKUIUKH-NVXWUHKLSA-N 2 2 365.474 3.001 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285256166 498035103 /nfs/dbraw/zinc/03/51/03/498035103.db2.gz IQBCWFGJEAVNIJ-UGSOOPFHSA-N 2 2 371.428 3.100 20 5 FGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285256166 498035108 /nfs/dbraw/zinc/03/51/08/498035108.db2.gz IQBCWFGJEAVNIJ-UGSOOPFHSA-N 2 2 371.428 3.100 20 5 FGBDLP Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821810 498279431 /nfs/dbraw/zinc/27/94/31/498279431.db2.gz KILQEHNWQPEGCH-WMLDXEAASA-N 2 2 355.442 3.279 20 5 FGBDLP Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821810 498279436 /nfs/dbraw/zinc/27/94/36/498279436.db2.gz KILQEHNWQPEGCH-WMLDXEAASA-N 2 2 355.442 3.279 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000582072856 506127365 /nfs/dbraw/zinc/12/73/65/506127365.db2.gz LRDWFIQXBWKDMT-DQSGYLJSSA-N 2 2 359.470 3.185 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000582072856 506127369 /nfs/dbraw/zinc/12/73/69/506127369.db2.gz LRDWFIQXBWKDMT-DQSGYLJSSA-N 2 2 359.470 3.185 20 5 FGBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000284275812 499081709 /nfs/dbraw/zinc/08/17/09/499081709.db2.gz XQEMCIHNOAGLDJ-DZGCQCFKSA-N 2 2 362.430 3.246 20 5 FGBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000284275812 499081714 /nfs/dbraw/zinc/08/17/14/499081714.db2.gz XQEMCIHNOAGLDJ-DZGCQCFKSA-N 2 2 362.430 3.246 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414877077 499840370 /nfs/dbraw/zinc/84/03/70/499840370.db2.gz FLJNWGCDMBZCOD-RBUKOAKNSA-N 2 2 355.438 3.147 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2c1 ZINC000413192881 499925236 /nfs/dbraw/zinc/92/52/36/499925236.db2.gz JRDGEFDUWOBAKE-RBUKOAKNSA-N 2 2 370.453 3.323 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423272687 500360574 /nfs/dbraw/zinc/36/05/74/500360574.db2.gz IGUTYZLZAXWIDT-LJQANCHMSA-N 2 2 371.485 3.320 20 5 FGBDLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423566545 500385606 /nfs/dbraw/zinc/38/56/06/500385606.db2.gz MBRJFCPADJTQJD-QGZVFWFLSA-N 3 2 368.481 3.239 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000447545638 500621706 /nfs/dbraw/zinc/62/17/06/500621706.db2.gz SBEPNJCPYUJQKW-OKZBNKHCSA-N 2 2 361.490 3.129 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000447545638 500621708 /nfs/dbraw/zinc/62/17/08/500621708.db2.gz SBEPNJCPYUJQKW-OKZBNKHCSA-N 2 2 361.490 3.129 20 5 FGBDLP Cc1cc(NC2CC[NH+](C3CCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450874229 501221946 /nfs/dbraw/zinc/22/19/46/501221946.db2.gz FTBVMSWAFBZKIJ-UHFFFAOYSA-N 2 2 367.453 3.211 20 5 FGBDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000540756958 503880335 /nfs/dbraw/zinc/88/03/35/503880335.db2.gz BMIXMWGCQKTXMK-KDOFPFPSSA-N 2 2 355.442 3.303 20 5 FGBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000611132457 507528255 /nfs/dbraw/zinc/52/82/55/507528255.db2.gz IDIIQVIRKPBYHG-CYBMUJFWSA-N 2 2 372.391 3.194 20 5 FGBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000611132457 507528260 /nfs/dbraw/zinc/52/82/60/507528260.db2.gz IDIIQVIRKPBYHG-CYBMUJFWSA-N 2 2 372.391 3.194 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000787301681 725023941 /nfs/dbraw/zinc/02/39/41/725023941.db2.gz CNHJGEGKTMBQON-RHSMWYFYSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000787301681 725023945 /nfs/dbraw/zinc/02/39/45/725023945.db2.gz CNHJGEGKTMBQON-RHSMWYFYSA-N 2 2 369.893 3.475 20 5 FGBDLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000102420068 495135284 /nfs/dbraw/zinc/13/52/84/495135284.db2.gz JIJBGXUKWQSKJG-UHFFFAOYSA-N 2 2 359.426 3.437 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134752820 495195304 /nfs/dbraw/zinc/19/53/04/495195304.db2.gz JBYUBYYIKDNDKU-INIZCTEOSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134752820 495195306 /nfs/dbraw/zinc/19/53/06/495195306.db2.gz JBYUBYYIKDNDKU-INIZCTEOSA-N 2 2 374.485 3.181 20 5 FGBDLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000568935551 505811860 /nfs/dbraw/zinc/81/18/60/505811860.db2.gz BHVAUHZLHVILKG-UHFFFAOYSA-N 2 2 357.410 3.350 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000152694531 496228875 /nfs/dbraw/zinc/22/88/75/496228875.db2.gz DXEIXFQEXUOTKG-XHSDSOJGSA-N 2 2 365.474 3.143 20 5 FGBDLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405385 496370314 /nfs/dbraw/zinc/37/03/14/496370314.db2.gz DWEQPCFRIKBEAK-UONOGXRCSA-N 2 2 365.449 3.485 20 5 FGBDLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405385 496370320 /nfs/dbraw/zinc/37/03/20/496370320.db2.gz DWEQPCFRIKBEAK-UONOGXRCSA-N 2 2 365.449 3.485 20 5 FGBDLP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000163340672 496501383 /nfs/dbraw/zinc/50/13/83/496501383.db2.gz ZPLQFMLISZEISK-GFCCVEGCSA-N 2 2 361.365 3.292 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277408594 496763247 /nfs/dbraw/zinc/76/32/47/496763247.db2.gz ZVXAWWGJKJIDGU-UKRRQHHQSA-N 2 2 359.430 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277408594 496763255 /nfs/dbraw/zinc/76/32/55/496763255.db2.gz ZVXAWWGJKJIDGU-UKRRQHHQSA-N 2 2 359.430 3.122 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000245567350 497459770 /nfs/dbraw/zinc/45/97/70/497459770.db2.gz FLEOTAPVTISJJW-XUWXXGDYSA-N 2 2 371.441 3.010 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000245567350 497459772 /nfs/dbraw/zinc/45/97/72/497459772.db2.gz FLEOTAPVTISJJW-XUWXXGDYSA-N 2 2 371.441 3.010 20 5 FGBDLP C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000245702319 497507791 /nfs/dbraw/zinc/50/77/91/497507791.db2.gz BOXZSXHKIUNZGH-IUODEOHRSA-N 2 2 366.368 3.476 20 5 FGBDLP C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000245702319 497507794 /nfs/dbraw/zinc/50/77/94/497507794.db2.gz BOXZSXHKIUNZGH-IUODEOHRSA-N 2 2 366.368 3.476 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000366618384 499005743 /nfs/dbraw/zinc/00/57/43/499005743.db2.gz FGFGXWRNEKYATR-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000366618384 499005745 /nfs/dbraw/zinc/00/57/45/499005745.db2.gz FGFGXWRNEKYATR-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000366618384 499005754 /nfs/dbraw/zinc/00/57/54/499005754.db2.gz FGFGXWRNEKYATR-PXNSSMCTSA-N 2 2 370.453 3.123 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000368963341 499351488 /nfs/dbraw/zinc/35/14/88/499351488.db2.gz AVIGNXWQTIKFHT-AUUYWEPGSA-N 2 2 374.510 3.402 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000368963341 499351489 /nfs/dbraw/zinc/35/14/89/499351489.db2.gz AVIGNXWQTIKFHT-AUUYWEPGSA-N 2 2 374.510 3.402 20 5 FGBDLP Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000369086555 499364214 /nfs/dbraw/zinc/36/42/14/499364214.db2.gz XVCGCQOZFRFVFE-GOSISDBHSA-N 2 2 367.409 3.125 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000369589684 499423298 /nfs/dbraw/zinc/42/32/98/499423298.db2.gz AVYIIWNNONDVMS-GUYCJALGSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000369589684 499423300 /nfs/dbraw/zinc/42/33/00/499423300.db2.gz AVYIIWNNONDVMS-GUYCJALGSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000369589685 499423315 /nfs/dbraw/zinc/42/33/15/499423315.db2.gz AVYIIWNNONDVMS-SUMWQHHRSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000369589685 499423317 /nfs/dbraw/zinc/42/33/17/499423317.db2.gz AVYIIWNNONDVMS-SUMWQHHRSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000369594500 499424207 /nfs/dbraw/zinc/42/42/07/499424207.db2.gz ZDIGZOJCAICZJG-UGSOOPFHSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000369594500 499424208 /nfs/dbraw/zinc/42/42/08/499424208.db2.gz ZDIGZOJCAICZJG-UGSOOPFHSA-N 2 2 360.483 3.360 20 5 FGBDLP COc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414870338 499839793 /nfs/dbraw/zinc/83/97/93/499839793.db2.gz SINMXZFSQISVHS-KRWDZBQOSA-N 2 2 371.437 3.024 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414952764 499848343 /nfs/dbraw/zinc/84/83/43/499848343.db2.gz JAXWURSRUSUWES-LPHOPBHVSA-N 2 2 361.392 3.417 20 5 FGBDLP CCC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000423229852 500356578 /nfs/dbraw/zinc/35/65/78/500356578.db2.gz HYHNWLUUKJZHPP-SFHVURJKSA-N 2 2 355.442 3.353 20 5 FGBDLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447511985 500614506 /nfs/dbraw/zinc/61/45/06/500614506.db2.gz WICNRARMVVZDTI-GBESFXJTSA-N 2 2 371.485 3.038 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448026968 500709165 /nfs/dbraw/zinc/70/91/65/500709165.db2.gz KRQCBVPNKDTSCB-YOEHRIQHSA-N 2 2 362.474 3.022 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448026968 500709169 /nfs/dbraw/zinc/70/91/69/500709169.db2.gz KRQCBVPNKDTSCB-YOEHRIQHSA-N 2 2 362.474 3.022 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000470171045 502691629 /nfs/dbraw/zinc/69/16/29/502691629.db2.gz DTWFVTTYMCKLHM-NUVSWBFWSA-N 2 2 372.513 3.100 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000470171045 502691635 /nfs/dbraw/zinc/69/16/35/502691635.db2.gz DTWFVTTYMCKLHM-NUVSWBFWSA-N 2 2 372.513 3.100 20 5 FGBDLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531709760 504399106 /nfs/dbraw/zinc/39/91/06/504399106.db2.gz OZEVXVZORLTJJD-LAUBAEHRSA-N 2 2 368.481 3.234 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)o2)c1 ZINC000565046860 504780859 /nfs/dbraw/zinc/78/08/59/504780859.db2.gz WAFBBUXQAIBOLF-QZTJIDSGSA-N 2 2 370.453 3.399 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)o2)c1 ZINC000565046860 504780862 /nfs/dbraw/zinc/78/08/62/504780862.db2.gz WAFBBUXQAIBOLF-QZTJIDSGSA-N 2 2 370.453 3.399 20 5 FGBDLP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000563012994 505020525 /nfs/dbraw/zinc/02/05/25/505020525.db2.gz DROULZKBCLREQG-QRWLVFNGSA-N 2 2 370.453 3.204 20 5 FGBDLP CC(C)[NH+](CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000560521605 505112936 /nfs/dbraw/zinc/11/29/36/505112936.db2.gz XCTHIBVHZIZRCD-GOSISDBHSA-N 2 2 359.474 3.126 20 5 FGBDLP CC(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196101 506480388 /nfs/dbraw/zinc/48/03/88/506480388.db2.gz WXTFDXRRPQFWTM-LJQANCHMSA-N 2 2 374.529 3.319 20 5 FGBDLP CC(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196101 506480390 /nfs/dbraw/zinc/48/03/90/506480390.db2.gz WXTFDXRRPQFWTM-LJQANCHMSA-N 2 2 374.529 3.319 20 5 FGBDLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000600775229 507113277 /nfs/dbraw/zinc/11/32/77/507113277.db2.gz MBERDDQRGYPJGB-UHFFFAOYSA-N 2 2 368.231 3.398 20 5 FGBDLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000600775229 507113286 /nfs/dbraw/zinc/11/32/86/507113286.db2.gz MBERDDQRGYPJGB-UHFFFAOYSA-N 2 2 368.231 3.398 20 5 FGBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000600776172 507114882 /nfs/dbraw/zinc/11/48/82/507114882.db2.gz WMSLNJIUGCRMAL-KBXCAEBGSA-N 2 2 371.437 3.022 20 5 FGBDLP C[C@@H](c1nccs1)[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601143513 507275836 /nfs/dbraw/zinc/27/58/36/507275836.db2.gz GBPHIFJVLBJXJW-ZDUSSCGKSA-N 2 2 369.450 3.483 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591843154 507387777 /nfs/dbraw/zinc/38/77/77/507387777.db2.gz BVTCAYZBUUJVKE-AWEZNQCLSA-N 2 2 365.231 3.391 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591843154 507387785 /nfs/dbraw/zinc/38/77/85/507387785.db2.gz BVTCAYZBUUJVKE-AWEZNQCLSA-N 2 2 365.231 3.391 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595503799 507533778 /nfs/dbraw/zinc/53/37/78/507533778.db2.gz CDFXCMQBRQSXRU-IFXJQAMLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595503799 507533783 /nfs/dbraw/zinc/53/37/83/507533783.db2.gz CDFXCMQBRQSXRU-IFXJQAMLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595503799 507533789 /nfs/dbraw/zinc/53/37/89/507533789.db2.gz CDFXCMQBRQSXRU-IFXJQAMLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595503799 507533795 /nfs/dbraw/zinc/53/37/95/507533795.db2.gz CDFXCMQBRQSXRU-IFXJQAMLSA-N 2 2 371.441 3.124 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000162764725 705302942 /nfs/dbraw/zinc/30/29/42/705302942.db2.gz NNERBYULIFUPFN-UHFFFAOYSA-N 2 2 354.248 3.074 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)o2)c([N+](=O)[O-])c1 ZINC000570763689 505574875 /nfs/dbraw/zinc/57/48/75/505574875.db2.gz HBCUIOQGDNZQBO-LBPRGKRZSA-N 2 2 368.393 3.234 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)o2)c([N+](=O)[O-])c1 ZINC000570763689 505574879 /nfs/dbraw/zinc/57/48/79/505574879.db2.gz HBCUIOQGDNZQBO-LBPRGKRZSA-N 2 2 368.393 3.234 20 5 FGBDLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078350278 494284458 /nfs/dbraw/zinc/28/44/58/494284458.db2.gz WJPNVGXMWVXBMQ-HNNXBMFYSA-N 2 2 373.457 3.021 20 5 FGBDLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000092645209 494693813 /nfs/dbraw/zinc/69/38/13/494693813.db2.gz ORVPDVMQUJAZRS-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000092645209 494693815 /nfs/dbraw/zinc/69/38/15/494693815.db2.gz ORVPDVMQUJAZRS-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000183308359 495924635 /nfs/dbraw/zinc/92/46/35/495924635.db2.gz YLNACKAFONFIJM-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000183308359 495924640 /nfs/dbraw/zinc/92/46/40/495924640.db2.gz YLNACKAFONFIJM-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000580694284 505815755 /nfs/dbraw/zinc/81/57/55/505815755.db2.gz MLOOAHQLRPUMCZ-ROUUACIJSA-N 2 2 366.425 3.251 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892728 496815749 /nfs/dbraw/zinc/81/57/49/496815749.db2.gz JQMADLRXKTVDFI-LSDHHAIUSA-N 2 2 374.510 3.220 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892728 496815754 /nfs/dbraw/zinc/81/57/54/496815754.db2.gz JQMADLRXKTVDFI-LSDHHAIUSA-N 2 2 374.510 3.220 20 5 FGBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000271198690 497288504 /nfs/dbraw/zinc/28/85/04/497288504.db2.gz PPDZCUPBJAGAMG-UHFFFAOYSA-N 2 2 365.231 3.460 20 5 FGBDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416506 497394247 /nfs/dbraw/zinc/39/42/47/497394247.db2.gz FGPRTIXANPXPER-HUUCEWRRSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416506 497394252 /nfs/dbraw/zinc/39/42/52/497394252.db2.gz FGPRTIXANPXPER-HUUCEWRRSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416506 497394256 /nfs/dbraw/zinc/39/42/56/497394256.db2.gz FGPRTIXANPXPER-HUUCEWRRSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416506 497394261 /nfs/dbraw/zinc/39/42/61/497394261.db2.gz FGPRTIXANPXPER-HUUCEWRRSA-N 2 2 373.457 3.370 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285256156 498035788 /nfs/dbraw/zinc/03/57/88/498035788.db2.gz IQBCWFGJEAVNIJ-FZKQIMNGSA-N 2 2 371.428 3.100 20 5 FGBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285256156 498035793 /nfs/dbraw/zinc/03/57/93/498035793.db2.gz IQBCWFGJEAVNIJ-FZKQIMNGSA-N 2 2 371.428 3.100 20 5 FGBDLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285653656 498159923 /nfs/dbraw/zinc/15/99/23/498159923.db2.gz YPFTWYGADNQKDP-PBWFPOADSA-N 2 2 368.275 3.414 20 5 FGBDLP C[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285653656 498159932 /nfs/dbraw/zinc/15/99/32/498159932.db2.gz YPFTWYGADNQKDP-PBWFPOADSA-N 2 2 368.275 3.414 20 5 FGBDLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285653656 498159916 /nfs/dbraw/zinc/15/99/16/498159916.db2.gz YPFTWYGADNQKDP-PBWFPOADSA-N 2 2 368.275 3.414 20 5 FGBDLP C[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285653656 498159926 /nfs/dbraw/zinc/15/99/26/498159926.db2.gz YPFTWYGADNQKDP-PBWFPOADSA-N 2 2 368.275 3.414 20 5 FGBDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000311600232 498751940 /nfs/dbraw/zinc/75/19/40/498751940.db2.gz GPCLIDPGYVBQDM-CRAIPNDOSA-N 2 2 355.438 3.356 20 5 FGBDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000311600232 498751946 /nfs/dbraw/zinc/75/19/46/498751946.db2.gz GPCLIDPGYVBQDM-CRAIPNDOSA-N 2 2 355.438 3.356 20 5 FGBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000284275818 499081570 /nfs/dbraw/zinc/08/15/70/499081570.db2.gz XQEMCIHNOAGLDJ-UKRRQHHQSA-N 2 2 362.430 3.246 20 5 FGBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000284275818 499081572 /nfs/dbraw/zinc/08/15/72/499081572.db2.gz XQEMCIHNOAGLDJ-UKRRQHHQSA-N 2 2 362.430 3.246 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)co2)cc1 ZINC000371184867 499296820 /nfs/dbraw/zinc/29/68/20/499296820.db2.gz POKHLMSYWGMRLO-UHFFFAOYSA-N 2 2 353.382 3.353 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)co2)cc1 ZINC000371184867 499296821 /nfs/dbraw/zinc/29/68/21/499296821.db2.gz POKHLMSYWGMRLO-UHFFFAOYSA-N 2 2 353.382 3.353 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000369594496 499424007 /nfs/dbraw/zinc/42/40/07/499424007.db2.gz ZDIGZOJCAICZJG-FZKQIMNGSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000369594496 499424009 /nfs/dbraw/zinc/42/40/09/499424009.db2.gz ZDIGZOJCAICZJG-FZKQIMNGSA-N 2 2 360.483 3.360 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000377234419 499672543 /nfs/dbraw/zinc/67/25/43/499672543.db2.gz WXMZSSFLYFLEIX-UHFFFAOYSA-N 2 2 352.341 3.299 20 5 FGBDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000377265706 499675065 /nfs/dbraw/zinc/67/50/65/499675065.db2.gz HJEDWMSXTWHVAE-UHFFFAOYSA-N 3 2 374.529 3.223 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000413203131 499926272 /nfs/dbraw/zinc/92/62/72/499926272.db2.gz NKTZRSZVPFETRU-GOSISDBHSA-N 2 2 370.453 3.224 20 5 FGBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425414068 500097837 /nfs/dbraw/zinc/09/78/37/500097837.db2.gz CLRXGYITVGYSPN-UHFFFAOYSA-N 2 2 353.220 3.076 20 5 FGBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425414068 500097842 /nfs/dbraw/zinc/09/78/42/500097842.db2.gz CLRXGYITVGYSPN-UHFFFAOYSA-N 2 2 353.220 3.076 20 5 FGBDLP Cc1cc(NC2CCC([NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420621535 500478953 /nfs/dbraw/zinc/47/89/53/500478953.db2.gz DDVAEHUUQUPKHS-UHFFFAOYSA-N 2 2 355.442 3.067 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435391264 500966690 /nfs/dbraw/zinc/96/66/90/500966690.db2.gz DTPUMCVOQVUZIP-LJQANCHMSA-N 2 2 354.454 3.443 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435391264 500966693 /nfs/dbraw/zinc/96/66/93/500966693.db2.gz DTPUMCVOQVUZIP-LJQANCHMSA-N 2 2 354.454 3.443 20 5 FGBDLP Cc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435393338 500967435 /nfs/dbraw/zinc/96/74/35/500967435.db2.gz IVAUFBVQKOUIAE-IBGZPJMESA-N 2 2 354.454 3.443 20 5 FGBDLP Cc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435393338 500967437 /nfs/dbraw/zinc/96/74/37/500967437.db2.gz IVAUFBVQKOUIAE-IBGZPJMESA-N 2 2 354.454 3.443 20 5 FGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000602652079 506245774 /nfs/dbraw/zinc/24/57/74/506245774.db2.gz JGPIYSPMYRZKGT-UHFFFAOYSA-N 2 2 354.332 3.436 20 5 FGBDLP Cc1c(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000478434695 501981551 /nfs/dbraw/zinc/98/15/51/501981551.db2.gz YNSZVURLFLOQFM-UHFFFAOYSA-N 2 2 361.365 3.039 20 5 FGBDLP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000599034535 506287303 /nfs/dbraw/zinc/28/73/03/506287303.db2.gz FNZCTCSUKYSAEM-UHFFFAOYSA-N 2 2 370.453 3.082 20 5 FGBDLP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160446 502589095 /nfs/dbraw/zinc/58/90/95/502589095.db2.gz HUQKOSQFYGWILI-LAUBAEHRSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160446 502589101 /nfs/dbraw/zinc/58/91/01/502589101.db2.gz HUQKOSQFYGWILI-LAUBAEHRSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1cc(N(C)CCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000513069404 502843522 /nfs/dbraw/zinc/84/35/22/502843522.db2.gz ODLJMSBLMKZBHC-UHFFFAOYSA-N 2 2 355.442 3.282 20 5 FGBDLP Cc1cc(N2CCN(c3c[nH+]ccc3C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541089993 504003446 /nfs/dbraw/zinc/00/34/46/504003446.db2.gz QFPKIGIVFMJUCD-UHFFFAOYSA-N 2 2 363.421 3.481 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cs2)c1 ZINC000591282879 507184663 /nfs/dbraw/zinc/18/46/63/507184663.db2.gz WGSUABWRDIXPKN-CQSZACIVSA-N 2 2 358.467 3.483 20 5 FGBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1Cl ZINC000768543031 723661186 /nfs/dbraw/zinc/66/11/86/723661186.db2.gz VPSQZQMYDSFJJB-UHFFFAOYSA-N 2 2 367.877 3.183 20 5 FGBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092664717 494703374 /nfs/dbraw/zinc/70/33/74/494703374.db2.gz WFPKICBWJCLKFN-QCHNEIPXSA-N 2 2 372.513 3.098 20 5 FGBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092664717 494703377 /nfs/dbraw/zinc/70/33/77/494703377.db2.gz WFPKICBWJCLKFN-QCHNEIPXSA-N 2 2 372.513 3.098 20 5 FGBDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000126317499 494707008 /nfs/dbraw/zinc/70/70/08/494707008.db2.gz JQJVRSVZWSORLB-UHFFFAOYSA-N 2 2 373.453 3.133 20 5 FGBDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000126317499 494707015 /nfs/dbraw/zinc/70/70/15/494707015.db2.gz JQJVRSVZWSORLB-UHFFFAOYSA-N 2 2 373.453 3.133 20 5 FGBDLP C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000091961126 494736631 /nfs/dbraw/zinc/73/66/31/494736631.db2.gz BOXZSXHKIUNZGH-WFASDCNBSA-N 2 2 366.368 3.476 20 5 FGBDLP C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000091961126 494736637 /nfs/dbraw/zinc/73/66/37/494736637.db2.gz BOXZSXHKIUNZGH-WFASDCNBSA-N 2 2 366.368 3.476 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000102425385 495136569 /nfs/dbraw/zinc/13/65/69/495136569.db2.gz BGQCCAPRKGOJHY-AWEZNQCLSA-N 2 2 370.409 3.486 20 5 FGBDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123979194 495215684 /nfs/dbraw/zinc/21/56/84/495215684.db2.gz WDOHJDCGFMMXFA-AAEUAGOBSA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123979194 495215686 /nfs/dbraw/zinc/21/56/86/495215686.db2.gz WDOHJDCGFMMXFA-AAEUAGOBSA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123979194 495215688 /nfs/dbraw/zinc/21/56/88/495215688.db2.gz WDOHJDCGFMMXFA-AAEUAGOBSA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123979194 495215689 /nfs/dbraw/zinc/21/56/89/495215689.db2.gz WDOHJDCGFMMXFA-AAEUAGOBSA-N 2 2 373.400 3.119 20 5 FGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000578403716 505931308 /nfs/dbraw/zinc/93/13/08/505931308.db2.gz QWAIJXZDOMWSPE-UHFFFAOYSA-N 2 2 367.409 3.218 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991085 498225107 /nfs/dbraw/zinc/22/51/07/498225107.db2.gz NZWHVHPPDVRIQV-IFXJQAMLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991085 498225111 /nfs/dbraw/zinc/22/51/11/498225111.db2.gz NZWHVHPPDVRIQV-IFXJQAMLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292991085 498225115 /nfs/dbraw/zinc/22/51/15/498225115.db2.gz NZWHVHPPDVRIQV-IFXJQAMLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292991085 498225120 /nfs/dbraw/zinc/22/51/20/498225120.db2.gz NZWHVHPPDVRIQV-IFXJQAMLSA-N 2 2 371.441 3.124 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000361755235 498426594 /nfs/dbraw/zinc/42/65/94/498426594.db2.gz KGUCFGUHUPNZFJ-HSALFYBXSA-N 2 2 373.497 3.006 20 5 FGBDLP COc1ccc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000576388823 506146135 /nfs/dbraw/zinc/14/61/35/506146135.db2.gz NGGFEAJHRQWOGB-VQTJNVASSA-N 2 2 371.437 3.065 20 5 FGBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000415111054 499865146 /nfs/dbraw/zinc/86/51/46/499865146.db2.gz QDBRFXRXESSAGR-AWEZNQCLSA-N 2 2 365.817 3.058 20 5 FGBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000415111054 499865147 /nfs/dbraw/zinc/86/51/47/499865147.db2.gz QDBRFXRXESSAGR-AWEZNQCLSA-N 2 2 365.817 3.058 20 5 FGBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000429727110 500133588 /nfs/dbraw/zinc/13/35/88/500133588.db2.gz UBVKILRWJRURFP-UHFFFAOYSA-N 2 2 357.410 3.220 20 5 FGBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000422638437 500284813 /nfs/dbraw/zinc/28/48/13/500284813.db2.gz QEVSVGQLLPWDBZ-GVXVVHGQSA-N 2 2 373.400 3.010 20 5 FGBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000422638437 500284815 /nfs/dbraw/zinc/28/48/15/500284815.db2.gz QEVSVGQLLPWDBZ-GVXVVHGQSA-N 2 2 373.400 3.010 20 5 FGBDLP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423292549 500362067 /nfs/dbraw/zinc/36/20/67/500362067.db2.gz NHLHOGCRLCMXHH-LIRRHRJNSA-N 2 2 365.437 3.227 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423415627 500372984 /nfs/dbraw/zinc/37/29/84/500372984.db2.gz DXSMALJKABXNFD-PMACEKPBSA-N 2 2 351.450 3.393 20 5 FGBDLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000435376635 500963315 /nfs/dbraw/zinc/96/33/15/500963315.db2.gz SGGQIQOMSVHPHH-ZIAGYGMSSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000435376635 500963317 /nfs/dbraw/zinc/96/33/17/500963317.db2.gz SGGQIQOMSVHPHH-ZIAGYGMSSA-N 2 2 361.467 3.261 20 5 FGBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602661031 506249868 /nfs/dbraw/zinc/24/98/68/506249868.db2.gz BFWLVGVSHYBOSP-UHFFFAOYSA-N 2 2 359.249 3.137 20 5 FGBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602661031 506249882 /nfs/dbraw/zinc/24/98/82/506249882.db2.gz BFWLVGVSHYBOSP-UHFFFAOYSA-N 2 2 359.249 3.137 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000470170094 502691812 /nfs/dbraw/zinc/69/18/12/502691812.db2.gz OKCJKRWLRGUYOZ-WPNIOXTASA-N 2 2 359.470 3.042 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000470170094 502691818 /nfs/dbraw/zinc/69/18/18/502691818.db2.gz OKCJKRWLRGUYOZ-WPNIOXTASA-N 2 2 359.470 3.042 20 5 FGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421580 504127141 /nfs/dbraw/zinc/12/71/41/504127141.db2.gz LOQTUHLHNMDPPP-CVEARBPZSA-N 2 2 374.485 3.084 20 5 FGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421580 504127144 /nfs/dbraw/zinc/12/71/44/504127144.db2.gz LOQTUHLHNMDPPP-CVEARBPZSA-N 2 2 374.485 3.084 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000535809214 504551990 /nfs/dbraw/zinc/55/19/90/504551990.db2.gz LMQYIVMQTQKAJE-YVWKXTFCSA-N 2 2 361.486 3.402 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000535809214 504551994 /nfs/dbraw/zinc/55/19/94/504551994.db2.gz LMQYIVMQTQKAJE-YVWKXTFCSA-N 2 2 361.486 3.402 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000564666389 505486885 /nfs/dbraw/zinc/48/68/85/505486885.db2.gz GVGXVDCTKHYJFK-HZPDHXFCSA-N 2 2 362.474 3.022 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214986 506654440 /nfs/dbraw/zinc/65/44/40/506654440.db2.gz WXBUMVOTDYEGNT-SFHVURJKSA-N 2 2 361.486 3.405 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214986 506654443 /nfs/dbraw/zinc/65/44/43/506654443.db2.gz WXBUMVOTDYEGNT-SFHVURJKSA-N 2 2 361.486 3.405 20 5 FGBDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093394952 494885515 /nfs/dbraw/zinc/88/55/15/494885515.db2.gz OQRMGQTUUFOYHQ-UHFFFAOYSA-N 2 2 373.453 3.133 20 5 FGBDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093394952 494885518 /nfs/dbraw/zinc/88/55/18/494885518.db2.gz OQRMGQTUUFOYHQ-UHFFFAOYSA-N 2 2 373.453 3.133 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794751 494919441 /nfs/dbraw/zinc/91/94/41/494919441.db2.gz RUWCSLSHEWYMFQ-CYBMUJFWSA-N 2 2 368.397 3.239 20 5 FGBDLP C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000180670928 496097776 /nfs/dbraw/zinc/09/77/76/496097776.db2.gz LXNVFODBDBWYLO-CQSZACIVSA-N 2 2 365.393 3.070 20 5 FGBDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc([N+](=O)[O-])cc3)[nH+]c2)CC1 ZINC000269105784 496872291 /nfs/dbraw/zinc/87/22/91/496872291.db2.gz ANBCBOHGLVGORG-UHFFFAOYSA-N 2 2 355.442 3.132 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249508972 497213905 /nfs/dbraw/zinc/21/39/05/497213905.db2.gz ZHBUADPLTLZGNM-YOEHRIQHSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249508972 497213908 /nfs/dbraw/zinc/21/39/08/497213908.db2.gz ZHBUADPLTLZGNM-YOEHRIQHSA-N 2 2 369.893 3.475 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000277198165 497772157 /nfs/dbraw/zinc/77/21/57/497772157.db2.gz MJWASJMAVBWTKQ-CYBMUJFWSA-N 2 2 373.400 3.121 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000277198165 497772162 /nfs/dbraw/zinc/77/21/62/497772162.db2.gz MJWASJMAVBWTKQ-CYBMUJFWSA-N 2 2 373.400 3.121 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)c1 ZINC000363449286 498826620 /nfs/dbraw/zinc/82/66/20/498826620.db2.gz JXJVHFGARXPZAU-UHFFFAOYSA-N 2 2 367.409 3.395 20 5 FGBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000573068213 506110713 /nfs/dbraw/zinc/11/07/13/506110713.db2.gz CZQLKNUIRTXOFK-NZSAHSFTSA-N 2 2 371.485 3.385 20 5 FGBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000573068213 506110716 /nfs/dbraw/zinc/11/07/16/506110716.db2.gz CZQLKNUIRTXOFK-NZSAHSFTSA-N 2 2 371.485 3.385 20 5 FGBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000415018341 499855441 /nfs/dbraw/zinc/85/54/41/499855441.db2.gz QTKFWNDNTCPDOJ-NXEZZACHSA-N 2 2 368.231 3.443 20 5 FGBDLP Cc1cc(NCCCC[N@@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413347292 499943726 /nfs/dbraw/zinc/94/37/26/499943726.db2.gz KTCTZRGOQVQLKQ-UHFFFAOYSA-N 2 2 355.442 3.068 20 5 FGBDLP Cc1cc(NCCCC[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413347292 499943728 /nfs/dbraw/zinc/94/37/28/499943728.db2.gz KTCTZRGOQVQLKQ-UHFFFAOYSA-N 2 2 355.442 3.068 20 5 FGBDLP CCC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000423229851 500356628 /nfs/dbraw/zinc/35/66/28/500356628.db2.gz HYHNWLUUKJZHPP-GOSISDBHSA-N 2 2 355.442 3.353 20 5 FGBDLP CC1(C)C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423237466 500357164 /nfs/dbraw/zinc/35/71/64/500357164.db2.gz TYYPHZOXACGHDA-GOSISDBHSA-N 2 2 367.453 3.234 20 5 FGBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)nc2c1 ZINC000446834305 501171132 /nfs/dbraw/zinc/17/11/32/501171132.db2.gz GXWDVOWNLLDQNU-UHFFFAOYSA-N 2 2 354.395 3.008 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599064193 506304452 /nfs/dbraw/zinc/30/44/52/506304452.db2.gz KZCSXGBNDFTVEK-DNVCBOLYSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599064193 506304456 /nfs/dbraw/zinc/30/44/56/506304456.db2.gz KZCSXGBNDFTVEK-DNVCBOLYSA-N 2 2 374.485 3.309 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000470174531 502694308 /nfs/dbraw/zinc/69/43/08/502694308.db2.gz LVFROBFXRVDRHA-TXQCQQFXSA-N 2 2 359.470 3.183 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000470174531 502694316 /nfs/dbraw/zinc/69/43/16/502694316.db2.gz LVFROBFXRVDRHA-TXQCQQFXSA-N 2 2 359.470 3.183 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202254 504041437 /nfs/dbraw/zinc/04/14/37/504041437.db2.gz QRFWROSUNBLJHB-UHFFFAOYSA-N 2 2 358.442 3.363 20 5 FGBDLP C[C@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000541729266 504236169 /nfs/dbraw/zinc/23/61/69/504236169.db2.gz HIBNCQOWRLQONM-NSHDSACASA-N 2 2 355.329 3.057 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532520353 504681471 /nfs/dbraw/zinc/68/14/71/504681471.db2.gz DDWQXCNAMCLQLH-UTKZUKDTSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532520353 504681473 /nfs/dbraw/zinc/68/14/73/504681473.db2.gz DDWQXCNAMCLQLH-UTKZUKDTSA-N 2 2 369.465 3.191 20 5 FGBDLP C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000595337284 507463362 /nfs/dbraw/zinc/46/33/62/507463362.db2.gz VIIJIQAEBSWTFF-UHFFFAOYSA-N 2 2 372.444 3.268 20 5 FGBDLP C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000595337284 507463364 /nfs/dbraw/zinc/46/33/64/507463364.db2.gz VIIJIQAEBSWTFF-UHFFFAOYSA-N 2 2 372.444 3.268 20 5 FGBDLP Cc1noc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595436310 507496351 /nfs/dbraw/zinc/49/63/51/507496351.db2.gz MTFOZFRFIJPEEN-KBPBESRZSA-N 2 2 358.442 3.137 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000611170675 507544073 /nfs/dbraw/zinc/54/40/73/507544073.db2.gz WKIMLAJHHITHJW-KRWDZBQOSA-N 2 2 353.382 3.283 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000611170675 507544081 /nfs/dbraw/zinc/54/40/81/507544081.db2.gz WKIMLAJHHITHJW-KRWDZBQOSA-N 2 2 353.382 3.283 20 5 FGBDLP CC[N@H+](CCC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1)CC(C)C ZINC000779868497 724431478 /nfs/dbraw/zinc/43/14/78/724431478.db2.gz UGFANALHOZBLOP-UHFFFAOYSA-N 2 2 351.495 3.137 20 5 FGBDLP CC[N@@H+](CCC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1)CC(C)C ZINC000779868497 724431479 /nfs/dbraw/zinc/43/14/79/724431479.db2.gz UGFANALHOZBLOP-UHFFFAOYSA-N 2 2 351.495 3.137 20 5 FGBDLP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000769190647 723679115 /nfs/dbraw/zinc/67/91/15/723679115.db2.gz YFXZFRRIENDZRK-UHFFFAOYSA-N 2 2 365.231 3.460 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092659310 494700959 /nfs/dbraw/zinc/70/09/59/494700959.db2.gz CIYXNVKJOKNCRK-UHFFFAOYSA-N 2 2 352.341 3.230 20 5 FGBDLP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000580437550 505759502 /nfs/dbraw/zinc/75/95/02/505759502.db2.gz XRPJRHKOSCIOAQ-UHFFFAOYSA-N 2 2 359.426 3.055 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393671 495573869 /nfs/dbraw/zinc/57/38/69/495573869.db2.gz QNVPZXAHKUIUKH-RDJZCZTQSA-N 2 2 365.474 3.001 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393671 495573874 /nfs/dbraw/zinc/57/38/74/495573874.db2.gz QNVPZXAHKUIUKH-RDJZCZTQSA-N 2 2 365.474 3.001 20 5 FGBDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000173616731 495615517 /nfs/dbraw/zinc/61/55/17/495615517.db2.gz IUIGRDRGIOAXKX-LBPRGKRZSA-N 2 2 368.865 3.038 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000180935661 496206952 /nfs/dbraw/zinc/20/69/52/496206952.db2.gz DECQTDWUFXEOOA-CRAIPNDOSA-N 2 2 368.437 3.273 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266928997 497448853 /nfs/dbraw/zinc/44/88/53/497448853.db2.gz NXPXPJBZHUFWCQ-GXTWGEPZSA-N 2 2 368.397 3.309 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266928997 497448858 /nfs/dbraw/zinc/44/88/58/497448858.db2.gz NXPXPJBZHUFWCQ-GXTWGEPZSA-N 2 2 368.397 3.309 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578450669 505943060 /nfs/dbraw/zinc/94/30/60/505943060.db2.gz IHMCHFLZFIDCHN-HNNXBMFYSA-N 2 2 367.409 3.015 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578450669 505943063 /nfs/dbraw/zinc/94/30/63/505943063.db2.gz IHMCHFLZFIDCHN-HNNXBMFYSA-N 2 2 367.409 3.015 20 5 FGBDLP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301352296 498069978 /nfs/dbraw/zinc/06/99/78/498069978.db2.gz LSRYYLMNYQRZRG-HNNXBMFYSA-N 2 2 355.442 3.138 20 5 FGBDLP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301352296 498069983 /nfs/dbraw/zinc/06/99/83/498069983.db2.gz LSRYYLMNYQRZRG-HNNXBMFYSA-N 2 2 355.442 3.138 20 5 FGBDLP COc1ccc(C[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)cc1[N+](=O)[O-] ZINC000360063665 498242599 /nfs/dbraw/zinc/24/25/99/498242599.db2.gz ZXTVERZPLYUZHQ-UHFFFAOYSA-N 2 2 352.394 3.294 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3c4ccccc4ncc3[N+](=O)[O-])CC2)CC1 ZINC000291578767 498999246 /nfs/dbraw/zinc/99/92/46/498999246.db2.gz FWILPPCVIYTMDR-UHFFFAOYSA-N 2 2 369.469 3.114 20 5 FGBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364035565 499094715 /nfs/dbraw/zinc/09/47/15/499094715.db2.gz QOQIHMKDBKQJBL-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364035565 499094720 /nfs/dbraw/zinc/09/47/20/499094720.db2.gz QOQIHMKDBKQJBL-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377726211 499725549 /nfs/dbraw/zinc/72/55/49/499725549.db2.gz WPUKUNDZWQVIHV-OAHLLOKOSA-N 2 2 371.441 3.018 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377726211 499725550 /nfs/dbraw/zinc/72/55/50/499725550.db2.gz WPUKUNDZWQVIHV-OAHLLOKOSA-N 2 2 371.441 3.018 20 5 FGBDLP Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)cc2[N+](=O)[O-])cc1 ZINC000415099772 499863418 /nfs/dbraw/zinc/86/34/18/499863418.db2.gz ZEPDRWAUCDKDDQ-INIZCTEOSA-N 2 2 373.478 3.132 20 5 FGBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000425428624 500103311 /nfs/dbraw/zinc/10/33/11/500103311.db2.gz XJPQQDHIGNVYLE-RISCZKNCSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425428624 500103315 /nfs/dbraw/zinc/10/33/15/500103315.db2.gz XJPQQDHIGNVYLE-RISCZKNCSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[NH+]1C ZINC000425428624 500103318 /nfs/dbraw/zinc/10/33/18/500103318.db2.gz XJPQQDHIGNVYLE-RISCZKNCSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[NH+]1C ZINC000425428624 500103320 /nfs/dbraw/zinc/10/33/20/500103320.db2.gz XJPQQDHIGNVYLE-RISCZKNCSA-N 2 2 356.264 3.272 20 5 FGBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000427101893 500353690 /nfs/dbraw/zinc/35/36/90/500353690.db2.gz DBTGVGCNIRMMDP-CXAGYDPISA-N 2 2 357.410 3.047 20 5 FGBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000427101893 500353691 /nfs/dbraw/zinc/35/36/91/500353691.db2.gz DBTGVGCNIRMMDP-CXAGYDPISA-N 2 2 357.410 3.047 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448026966 500709301 /nfs/dbraw/zinc/70/93/01/500709301.db2.gz KRQCBVPNKDTSCB-RHSMWYFYSA-N 2 2 362.474 3.022 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448026966 500709304 /nfs/dbraw/zinc/70/93/04/500709304.db2.gz KRQCBVPNKDTSCB-RHSMWYFYSA-N 2 2 362.474 3.022 20 5 FGBDLP Cc1c(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000435620087 501003267 /nfs/dbraw/zinc/00/32/67/501003267.db2.gz ZDLXBJSNHNXOBJ-LJQANCHMSA-N 2 2 354.454 3.443 20 5 FGBDLP Cc1c(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000435620087 501003269 /nfs/dbraw/zinc/00/32/69/501003269.db2.gz ZDLXBJSNHNXOBJ-LJQANCHMSA-N 2 2 354.454 3.443 20 5 FGBDLP CC[NH+](CC)CCO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599052991 506295173 /nfs/dbraw/zinc/29/51/73/506295173.db2.gz CEPSFQNMNCIZNF-INIZCTEOSA-N 2 2 358.442 3.080 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599065121 506306890 /nfs/dbraw/zinc/30/68/90/506306890.db2.gz OJFMHDWNKJLGTC-KXBFYZLASA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599065121 506306897 /nfs/dbraw/zinc/30/68/97/506306897.db2.gz OJFMHDWNKJLGTC-KXBFYZLASA-N 2 2 374.485 3.309 20 5 FGBDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000498882224 503281929 /nfs/dbraw/zinc/28/19/29/503281929.db2.gz XAFMOEVPSHHIDD-GOSISDBHSA-N 2 2 361.486 3.418 20 5 FGBDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000498882224 503281935 /nfs/dbraw/zinc/28/19/35/503281935.db2.gz XAFMOEVPSHHIDD-GOSISDBHSA-N 2 2 361.486 3.418 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000566414673 505168461 /nfs/dbraw/zinc/16/84/61/505168461.db2.gz QRXBBMROEMXHOA-GFCCVEGCSA-N 2 2 365.231 3.080 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000566414673 505168464 /nfs/dbraw/zinc/16/84/64/505168464.db2.gz QRXBBMROEMXHOA-GFCCVEGCSA-N 2 2 365.231 3.080 20 5 FGBDLP CCC(CC)[C@H](CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000552234812 505435967 /nfs/dbraw/zinc/43/59/67/505435967.db2.gz LRQGHADBHLPYTG-RBUKOAKNSA-N 2 2 373.501 3.374 20 5 FGBDLP Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609595645 506938458 /nfs/dbraw/zinc/93/84/58/506938458.db2.gz WLRSSUOFJIWAAV-INIZCTEOSA-N 2 2 355.442 3.327 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253101841 713674113 /nfs/dbraw/zinc/67/41/13/713674113.db2.gz XNJLWGQXCWTOPY-KBPBESRZSA-N 2 2 354.248 3.074 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253101841 713674114 /nfs/dbraw/zinc/67/41/14/713674114.db2.gz XNJLWGQXCWTOPY-KBPBESRZSA-N 2 2 354.248 3.074 20 5 FGBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2)c1 ZINC000180212239 495908867 /nfs/dbraw/zinc/90/88/67/495908867.db2.gz SSUZGOWQPFVNRN-OAQYLSRUSA-N 2 2 369.465 3.121 20 5 FGBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417414 495988190 /nfs/dbraw/zinc/98/81/90/495988190.db2.gz OCWDQURQZFJXKL-RTWAWAEBSA-N 2 2 369.465 3.385 20 5 FGBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417414 495988199 /nfs/dbraw/zinc/98/81/99/495988199.db2.gz OCWDQURQZFJXKL-RTWAWAEBSA-N 2 2 369.465 3.385 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000245567351 497459909 /nfs/dbraw/zinc/45/99/09/497459909.db2.gz FLEOTAPVTISJJW-YEWWUXTCSA-N 2 2 371.441 3.010 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000245567351 497459912 /nfs/dbraw/zinc/45/99/12/497459912.db2.gz FLEOTAPVTISJJW-YEWWUXTCSA-N 2 2 371.441 3.010 20 5 FGBDLP Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301822579 498279293 /nfs/dbraw/zinc/27/92/93/498279293.db2.gz KSTFCNJSELBTRV-MRXNPFEDSA-N 2 2 367.453 3.282 20 5 FGBDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000365819629 498654688 /nfs/dbraw/zinc/65/46/88/498654688.db2.gz JTTAVFJSGBCWEK-LPHOPBHVSA-N 2 2 370.409 3.286 20 5 FGBDLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000365819629 498654695 /nfs/dbraw/zinc/65/46/95/498654695.db2.gz JTTAVFJSGBCWEK-LPHOPBHVSA-N 2 2 370.409 3.286 20 5 FGBDLP COc1cc(C[NH2+]CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414808810 499833593 /nfs/dbraw/zinc/83/35/93/499833593.db2.gz UBWCWGVCKSCIRU-UHFFFAOYSA-N 2 2 359.426 3.009 20 5 FGBDLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423293189 500361676 /nfs/dbraw/zinc/36/16/76/500361676.db2.gz QFIGOVUTKNVFMM-IFXJQAMLSA-N 2 2 365.437 3.227 20 5 FGBDLP Cc1c(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000435620086 501003040 /nfs/dbraw/zinc/00/30/40/501003040.db2.gz ZDLXBJSNHNXOBJ-IBGZPJMESA-N 2 2 354.454 3.443 20 5 FGBDLP Cc1c(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000435620086 501003044 /nfs/dbraw/zinc/00/30/44/501003044.db2.gz ZDLXBJSNHNXOBJ-IBGZPJMESA-N 2 2 354.454 3.443 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000599063598 506304663 /nfs/dbraw/zinc/30/46/63/506304663.db2.gz DOTVKVPRIFYVMX-FGTMMUONSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000599063598 506304664 /nfs/dbraw/zinc/30/46/64/506304664.db2.gz DOTVKVPRIFYVMX-FGTMMUONSA-N 2 2 361.490 3.272 20 5 FGBDLP CCN1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480703380 502648407 /nfs/dbraw/zinc/64/84/07/502648407.db2.gz ZBQBHZFQYAVSJT-GOSISDBHSA-N 2 2 366.425 3.058 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000470174532 502695013 /nfs/dbraw/zinc/69/50/13/502695013.db2.gz LVFROBFXRVDRHA-WBILKINKSA-N 2 2 359.470 3.183 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000470174532 502695017 /nfs/dbraw/zinc/69/50/17/502695017.db2.gz LVFROBFXRVDRHA-WBILKINKSA-N 2 2 359.470 3.183 20 5 FGBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092556 503666220 /nfs/dbraw/zinc/66/62/20/503666220.db2.gz WZWGCGUGYRXQPE-IFXJQAMLSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092556 503666222 /nfs/dbraw/zinc/66/62/22/503666222.db2.gz WZWGCGUGYRXQPE-IFXJQAMLSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092556 503666228 /nfs/dbraw/zinc/66/62/28/503666228.db2.gz WZWGCGUGYRXQPE-IFXJQAMLSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092556 503666235 /nfs/dbraw/zinc/66/62/35/503666235.db2.gz WZWGCGUGYRXQPE-IFXJQAMLSA-N 2 2 371.437 3.389 20 5 FGBDLP Cc1ccc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c[nH+]1 ZINC000542132339 504374323 /nfs/dbraw/zinc/37/43/23/504374323.db2.gz XDSCZUPXXKDPTM-UHFFFAOYSA-N 2 2 368.437 3.425 20 5 FGBDLP Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)[nH+]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000543051016 504704826 /nfs/dbraw/zinc/70/48/26/504704826.db2.gz PESWGSJLMLTQST-CQSZACIVSA-N 2 2 351.410 3.368 20 5 FGBDLP C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000563012997 505020348 /nfs/dbraw/zinc/02/03/48/505020348.db2.gz DROULZKBCLREQG-YWZLYKJASA-N 2 2 370.453 3.204 20 5 FGBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000566500865 505190892 /nfs/dbraw/zinc/19/08/92/505190892.db2.gz MMXHDXMYEGYCDP-HOTGVXAUSA-N 2 2 362.474 3.022 20 5 FGBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000609574950 506927973 /nfs/dbraw/zinc/92/79/73/506927973.db2.gz AKAJPTQHODNCCY-ZDUSSCGKSA-N 2 2 372.391 3.194 20 5 FGBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000609574950 506927979 /nfs/dbraw/zinc/92/79/79/506927979.db2.gz AKAJPTQHODNCCY-ZDUSSCGKSA-N 2 2 372.391 3.194 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)o2)cc1 ZINC000903955367 743904671 /nfs/dbraw/zinc/90/46/71/743904671.db2.gz PYYGDWCOTAKQJZ-ZDUSSCGKSA-N 2 2 351.353 3.189 20 5 FGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571388 493919657 /nfs/dbraw/zinc/91/96/57/493919657.db2.gz FGPRTIXANPXPER-GJZGRUSLSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571388 493919662 /nfs/dbraw/zinc/91/96/62/493919662.db2.gz FGPRTIXANPXPER-GJZGRUSLSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571388 493919664 /nfs/dbraw/zinc/91/96/64/493919664.db2.gz FGPRTIXANPXPER-GJZGRUSLSA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571388 493919668 /nfs/dbraw/zinc/91/96/68/493919668.db2.gz FGPRTIXANPXPER-GJZGRUSLSA-N 2 2 373.457 3.370 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000092072017 494777932 /nfs/dbraw/zinc/77/79/32/494777932.db2.gz KIAUOJNQRXRSKX-GFCCVEGCSA-N 2 2 365.231 3.460 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000092072017 494777937 /nfs/dbraw/zinc/77/79/37/494777937.db2.gz KIAUOJNQRXRSKX-GFCCVEGCSA-N 2 2 365.231 3.460 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000151480610 495853075 /nfs/dbraw/zinc/85/30/75/495853075.db2.gz WUYCYJCPYJKLCG-SFHVURJKSA-N 2 2 363.421 3.286 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000180935627 496206926 /nfs/dbraw/zinc/20/69/26/496206926.db2.gz DECQTDWUFXEOOA-MAUKXSAKSA-N 2 2 368.437 3.273 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)co2)cc1 ZINC000270582615 497153978 /nfs/dbraw/zinc/15/39/78/497153978.db2.gz ITTAIWKHYHTKOF-UHFFFAOYSA-N 2 2 353.382 3.353 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000250283123 497263653 /nfs/dbraw/zinc/26/36/53/497263653.db2.gz IHTRTTDWSJVSET-OKZBNKHCSA-N 2 2 360.502 3.146 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245501968 497431897 /nfs/dbraw/zinc/43/18/97/497431897.db2.gz DXEIXFQEXUOTKG-JYJNAYRXSA-N 2 2 365.474 3.143 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000582072859 506127306 /nfs/dbraw/zinc/12/73/06/506127306.db2.gz LRDWFIQXBWKDMT-RBAUTDOXSA-N 2 2 359.470 3.185 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000582072859 506127307 /nfs/dbraw/zinc/12/73/07/506127307.db2.gz LRDWFIQXBWKDMT-RBAUTDOXSA-N 2 2 359.470 3.185 20 5 FGBDLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423292546 500361725 /nfs/dbraw/zinc/36/17/25/500361725.db2.gz NHLHOGCRLCMXHH-AUUYWEPGSA-N 2 2 365.437 3.227 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448025891 500709199 /nfs/dbraw/zinc/70/91/99/500709199.db2.gz GHGGLPWMHJVCNN-PBHICJAKSA-N 2 2 362.474 3.022 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448025891 500709202 /nfs/dbraw/zinc/70/92/02/500709202.db2.gz GHGGLPWMHJVCNN-PBHICJAKSA-N 2 2 362.474 3.022 20 5 FGBDLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000435376633 500962965 /nfs/dbraw/zinc/96/29/65/500962965.db2.gz SGGQIQOMSVHPHH-KGLIPLIRSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000435376633 500962968 /nfs/dbraw/zinc/96/29/68/500962968.db2.gz SGGQIQOMSVHPHH-KGLIPLIRSA-N 2 2 361.467 3.261 20 5 FGBDLP O=[N+]([O-])c1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435431620 500974651 /nfs/dbraw/zinc/97/46/51/500974651.db2.gz FBCORPUNOVTVTI-MRXNPFEDSA-N 2 2 358.467 3.196 20 5 FGBDLP O=[N+]([O-])c1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435431620 500974653 /nfs/dbraw/zinc/97/46/53/500974653.db2.gz FBCORPUNOVTVTI-MRXNPFEDSA-N 2 2 358.467 3.196 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cs1 ZINC000451015594 501239206 /nfs/dbraw/zinc/23/92/06/501239206.db2.gz FZOKRGYNKIHFLL-OAHLLOKOSA-N 2 2 374.466 3.305 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cs1 ZINC000451015594 501239207 /nfs/dbraw/zinc/23/92/07/501239207.db2.gz FZOKRGYNKIHFLL-OAHLLOKOSA-N 2 2 374.466 3.305 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602665363 506251249 /nfs/dbraw/zinc/25/12/49/506251249.db2.gz HPNIKMNRGAPOJO-LBPRGKRZSA-N 2 2 354.332 3.337 20 5 FGBDLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000475621531 502232798 /nfs/dbraw/zinc/23/27/98/502232798.db2.gz UPEFDOLPJARKLL-UHFFFAOYSA-N 2 2 370.453 3.444 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000469769914 502538389 /nfs/dbraw/zinc/53/83/89/502538389.db2.gz RNWXPHXSBDYJAC-PBHICJAKSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000469769914 502538391 /nfs/dbraw/zinc/53/83/91/502538391.db2.gz RNWXPHXSBDYJAC-PBHICJAKSA-N 2 2 369.893 3.475 20 5 FGBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503374278 503396747 /nfs/dbraw/zinc/39/67/47/503396747.db2.gz JRFALIQREMLQAO-INIZCTEOSA-N 2 2 370.453 3.386 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)c1 ZINC000494407082 503537380 /nfs/dbraw/zinc/53/73/80/503537380.db2.gz RZTBPBKBFYRMSU-ZDUSSCGKSA-N 2 2 355.423 3.019 20 5 FGBDLP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594734611 507260281 /nfs/dbraw/zinc/26/02/81/507260281.db2.gz CNDDNBCXXWBNEM-UHFFFAOYSA-N 2 2 373.453 3.352 20 5 FGBDLP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594734611 507260289 /nfs/dbraw/zinc/26/02/89/507260289.db2.gz CNDDNBCXXWBNEM-UHFFFAOYSA-N 2 2 373.453 3.352 20 5 FGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000594739860 507262897 /nfs/dbraw/zinc/26/28/97/507262897.db2.gz ZUQFOIAPTFDGQV-LVLPYEQSSA-N 2 2 355.413 3.482 20 5 FGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCC2 ZINC000595105931 507394646 /nfs/dbraw/zinc/39/46/46/507394646.db2.gz UTRMZYOVWCBEEY-ICSRJNTNSA-N 2 2 359.470 3.205 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000846835807 730985978 /nfs/dbraw/zinc/98/59/78/730985978.db2.gz DVODDJYMFXSBRF-GFCCVEGCSA-N 2 2 365.231 3.080 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000846835807 730985979 /nfs/dbraw/zinc/98/59/79/730985979.db2.gz DVODDJYMFXSBRF-GFCCVEGCSA-N 2 2 365.231 3.080 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080961343 493800673 /nfs/dbraw/zinc/80/06/73/493800673.db2.gz DFEVYIVMMCOQFK-OAHLLOKOSA-N 2 2 367.409 3.395 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080961343 493800677 /nfs/dbraw/zinc/80/06/77/493800677.db2.gz DFEVYIVMMCOQFK-OAHLLOKOSA-N 2 2 367.409 3.395 20 5 FGBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000012809977 494262644 /nfs/dbraw/zinc/26/26/44/494262644.db2.gz IEDCBNIOUMERKO-UHFFFAOYSA-N 2 2 363.421 3.103 20 5 FGBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092664723 494703306 /nfs/dbraw/zinc/70/33/06/494703306.db2.gz WFPKICBWJCLKFN-VRKMBTERSA-N 2 2 372.513 3.098 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116396426 494773390 /nfs/dbraw/zinc/77/33/90/494773390.db2.gz IOVONVMZIQZNJI-PBHICJAKSA-N 2 2 364.490 3.186 20 5 FGBDLP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000154542037 495648646 /nfs/dbraw/zinc/64/86/46/495648646.db2.gz QQAWLIDUQKNBCB-OAQYLSRUSA-N 2 2 369.465 3.225 20 5 FGBDLP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000154542037 495648651 /nfs/dbraw/zinc/64/86/51/495648651.db2.gz QQAWLIDUQKNBCB-OAQYLSRUSA-N 2 2 369.465 3.225 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000368963342 499351178 /nfs/dbraw/zinc/35/11/78/499351178.db2.gz AVIGNXWQTIKFHT-IFXJQAMLSA-N 2 2 374.510 3.402 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000368963342 499351179 /nfs/dbraw/zinc/35/11/79/499351179.db2.gz AVIGNXWQTIKFHT-IFXJQAMLSA-N 2 2 374.510 3.402 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423277804 500361388 /nfs/dbraw/zinc/36/13/88/500361388.db2.gz OXOAAGBYKOWJGN-LJQANCHMSA-N 2 2 371.485 3.320 20 5 FGBDLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423292547 500362056 /nfs/dbraw/zinc/36/20/56/500362056.db2.gz NHLHOGCRLCMXHH-IFXJQAMLSA-N 2 2 365.437 3.227 20 5 FGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423494777 500379169 /nfs/dbraw/zinc/37/91/69/500379169.db2.gz BAEHYQPVRNDDFT-KZNAEPCWSA-N 2 2 357.458 3.127 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532520351 504681369 /nfs/dbraw/zinc/68/13/69/504681369.db2.gz DDWQXCNAMCLQLH-DYESRHJHSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532520351 504681372 /nfs/dbraw/zinc/68/13/72/504681372.db2.gz DDWQXCNAMCLQLH-DYESRHJHSA-N 2 2 369.465 3.191 20 5 FGBDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000597248131 506858360 /nfs/dbraw/zinc/85/83/60/506858360.db2.gz MRFNMFXIJJBRAY-MRXNPFEDSA-N 2 2 373.453 3.397 20 5 FGBDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000597248131 506858364 /nfs/dbraw/zinc/85/83/64/506858364.db2.gz MRFNMFXIJJBRAY-MRXNPFEDSA-N 2 2 373.453 3.397 20 5 FGBDLP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610272764 507170202 /nfs/dbraw/zinc/17/02/02/507170202.db2.gz KUKKFLGZKXREBN-QGZVFWFLSA-N 2 2 366.421 3.411 20 5 FGBDLP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610272763 507170543 /nfs/dbraw/zinc/17/05/43/507170543.db2.gz KUKKFLGZKXREBN-KRWDZBQOSA-N 2 2 366.421 3.411 20 5 FGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000872088856 735586874 /nfs/dbraw/zinc/58/68/74/735586874.db2.gz RNUFCPVVKBANDT-XJKSGUPXSA-N 2 2 365.499 3.221 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182573705 495621311 /nfs/dbraw/zinc/62/13/11/495621311.db2.gz JZWGNSQQDCCKAK-FFELKDMISA-N 2 2 372.513 3.207 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182573705 495621316 /nfs/dbraw/zinc/62/13/16/495621316.db2.gz JZWGNSQQDCCKAK-FFELKDMISA-N 2 2 372.513 3.207 20 5 FGBDLP O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000180431627 495993577 /nfs/dbraw/zinc/99/35/77/495993577.db2.gz IQACJEXHHMGWJU-UHFFFAOYSA-N 2 2 352.394 3.286 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000152847917 496274908 /nfs/dbraw/zinc/27/49/08/496274908.db2.gz JEXUJSBKTWQZMR-AWEZNQCLSA-N 2 2 367.409 3.425 20 5 FGBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000284275821 499081398 /nfs/dbraw/zinc/08/13/98/499081398.db2.gz XQEMCIHNOAGLDJ-ZFWWWQNUSA-N 2 2 362.430 3.246 20 5 FGBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000284275821 499081400 /nfs/dbraw/zinc/08/14/00/499081400.db2.gz XQEMCIHNOAGLDJ-ZFWWWQNUSA-N 2 2 362.430 3.246 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376680582 499628697 /nfs/dbraw/zinc/62/86/97/499628697.db2.gz OMBFIIIOKDPDGK-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376680582 499628698 /nfs/dbraw/zinc/62/86/98/499628698.db2.gz OMBFIIIOKDPDGK-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376680582 499628700 /nfs/dbraw/zinc/62/87/00/499628700.db2.gz OMBFIIIOKDPDGK-ICSRJNTNSA-N 2 2 354.454 3.423 20 5 FGBDLP CCc1ccc([C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414121030 500158846 /nfs/dbraw/zinc/15/88/46/500158846.db2.gz FNLRWQXBOLEJDA-IBGZPJMESA-N 2 2 354.410 3.405 20 5 FGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447512641 500614572 /nfs/dbraw/zinc/61/45/72/500614572.db2.gz QHSYTIFUCWVMII-YJBOKZPZSA-N 2 2 368.441 3.223 20 5 FGBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000471526145 502054697 /nfs/dbraw/zinc/05/46/97/502054697.db2.gz CLQXIXBWAXJLKV-UHFFFAOYSA-N 2 2 366.893 3.243 20 5 FGBDLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950463 502250039 /nfs/dbraw/zinc/25/00/39/502250039.db2.gz YDCLTCZBUWDFHX-UHFFFAOYSA-N 2 2 374.407 3.360 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)o2)c1 ZINC000565046862 504780827 /nfs/dbraw/zinc/78/08/27/504780827.db2.gz WAFBBUXQAIBOLF-ROUUACIJSA-N 2 2 370.453 3.399 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)o2)c1 ZINC000565046862 504780830 /nfs/dbraw/zinc/78/08/30/504780830.db2.gz WAFBBUXQAIBOLF-ROUUACIJSA-N 2 2 370.453 3.399 20 5 FGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000594495270 507153297 /nfs/dbraw/zinc/15/32/97/507153297.db2.gz SWKDOVSBVGVLII-IBGZPJMESA-N 2 2 352.438 3.231 20 5 FGBDLP Cn1cc[nH+]c1C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602563351 507749708 /nfs/dbraw/zinc/74/97/08/507749708.db2.gz BKPQUMUZYMCHIO-LJQANCHMSA-N 2 2 350.422 3.444 20 5 FGBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809753283 725265343 /nfs/dbraw/zinc/26/53/43/725265343.db2.gz OYGNLJTUINJOAO-UHFFFAOYSA-N 2 2 367.247 3.384 20 5 FGBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809753283 725265344 /nfs/dbraw/zinc/26/53/44/725265344.db2.gz OYGNLJTUINJOAO-UHFFFAOYSA-N 2 2 367.247 3.384 20 5 FGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000579977887 505655232 /nfs/dbraw/zinc/65/52/32/505655232.db2.gz LDBMLMYDUQCWTP-FQEVSTJZSA-N 2 2 367.449 3.204 20 5 FGBDLP CC(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147578 494834564 /nfs/dbraw/zinc/83/45/64/494834564.db2.gz DOSUUCNPMHTUFZ-LJQANCHMSA-N 2 2 374.529 3.320 20 5 FGBDLP CC(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147578 494834569 /nfs/dbraw/zinc/83/45/69/494834569.db2.gz DOSUUCNPMHTUFZ-LJQANCHMSA-N 2 2 374.529 3.320 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277408600 496763615 /nfs/dbraw/zinc/76/36/15/496763615.db2.gz ZVXAWWGJKJIDGU-ZFWWWQNUSA-N 2 2 359.430 3.122 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277408600 496763619 /nfs/dbraw/zinc/76/36/19/496763619.db2.gz ZVXAWWGJKJIDGU-ZFWWWQNUSA-N 2 2 359.430 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246134452 497633587 /nfs/dbraw/zinc/63/35/87/497633587.db2.gz CKBFLLPIKLZUSX-CABCVRRESA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246134452 497633594 /nfs/dbraw/zinc/63/35/94/497633594.db2.gz CKBFLLPIKLZUSX-CABCVRRESA-N 2 2 371.441 3.124 20 5 FGBDLP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000290183157 498454468 /nfs/dbraw/zinc/45/44/68/498454468.db2.gz NSGIWATYQWREQF-QAPCUYQASA-N 2 2 359.474 3.128 20 5 FGBDLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000290183157 498454474 /nfs/dbraw/zinc/45/44/74/498454474.db2.gz NSGIWATYQWREQF-QAPCUYQASA-N 2 2 359.474 3.128 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000582072858 506127165 /nfs/dbraw/zinc/12/71/65/506127165.db2.gz LRDWFIQXBWKDMT-FLXZHSAZSA-N 2 2 359.470 3.185 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000582072858 506127171 /nfs/dbraw/zinc/12/71/71/506127171.db2.gz LRDWFIQXBWKDMT-FLXZHSAZSA-N 2 2 359.470 3.185 20 5 FGBDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000373185835 499456082 /nfs/dbraw/zinc/45/60/82/499456082.db2.gz LVECPKRLEMPATB-LSTHTHJFSA-N 2 2 371.485 3.452 20 5 FGBDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000373185835 499456083 /nfs/dbraw/zinc/45/60/83/499456083.db2.gz LVECPKRLEMPATB-LSTHTHJFSA-N 2 2 371.485 3.452 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000377183999 499668971 /nfs/dbraw/zinc/66/89/71/499668971.db2.gz VUTYVBIKKMQLDK-FXAWDEMLSA-N 2 2 371.485 3.152 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000377183999 499668972 /nfs/dbraw/zinc/66/89/72/499668972.db2.gz VUTYVBIKKMQLDK-FXAWDEMLSA-N 2 2 371.485 3.152 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377183999 499668973 /nfs/dbraw/zinc/66/89/73/499668973.db2.gz VUTYVBIKKMQLDK-FXAWDEMLSA-N 2 2 371.485 3.152 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000377183999 499668974 /nfs/dbraw/zinc/66/89/74/499668974.db2.gz VUTYVBIKKMQLDK-FXAWDEMLSA-N 2 2 371.485 3.152 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000377947978 499750355 /nfs/dbraw/zinc/75/03/55/499750355.db2.gz IJABFBJUHYJWMD-ZSZQSSIHSA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000377947978 499750356 /nfs/dbraw/zinc/75/03/56/499750356.db2.gz IJABFBJUHYJWMD-ZSZQSSIHSA-N 2 2 357.458 3.062 20 5 FGBDLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000414944621 499847363 /nfs/dbraw/zinc/84/73/63/499847363.db2.gz HEBWAFSIZKIROM-QAPCUYQASA-N 2 2 361.392 3.417 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414952766 499848295 /nfs/dbraw/zinc/84/82/95/499848295.db2.gz JAXWURSRUSUWES-VQIMIIECSA-N 2 2 361.392 3.417 20 5 FGBDLP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413182172 499923523 /nfs/dbraw/zinc/92/35/23/499923523.db2.gz KDVVALXLEOCYKZ-QGZVFWFLSA-N 2 2 358.442 3.080 20 5 FGBDLP Cc1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000447538981 500620139 /nfs/dbraw/zinc/62/01/39/500620139.db2.gz DWVYWMDOZGLAJM-OTWHNJEPSA-N 2 2 371.485 3.476 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000447554237 500623697 /nfs/dbraw/zinc/62/36/97/500623697.db2.gz ZQLHDGIWEXYCCB-IAGOWNOFSA-N 2 2 368.441 3.374 20 5 FGBDLP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452123964 501441230 /nfs/dbraw/zinc/44/12/30/501441230.db2.gz WTRGHCOUUKGYOS-UHFFFAOYSA-N 2 2 359.392 3.486 20 5 FGBDLP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452123964 501441231 /nfs/dbraw/zinc/44/12/31/501441231.db2.gz WTRGHCOUUKGYOS-UHFFFAOYSA-N 2 2 359.392 3.486 20 5 FGBDLP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000469982781 502618059 /nfs/dbraw/zinc/61/80/59/502618059.db2.gz FIXNQFMVHLIYNU-DNVCBOLYSA-N 2 2 354.454 3.298 20 5 FGBDLP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000469982781 502618067 /nfs/dbraw/zinc/61/80/67/502618067.db2.gz FIXNQFMVHLIYNU-DNVCBOLYSA-N 2 2 354.454 3.298 20 5 FGBDLP Cc1cc(NCCC[NH+]2CCC(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000515582698 503368595 /nfs/dbraw/zinc/36/85/95/503368595.db2.gz LKTRQFZSZDDTPF-UHFFFAOYSA-N 2 2 369.469 3.316 20 5 FGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000566475611 505185306 /nfs/dbraw/zinc/18/53/06/505185306.db2.gz NGEVYKBYYQMINX-IBGZPJMESA-N 2 2 352.438 3.231 20 5 FGBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOCC1 ZINC000600774302 507113126 /nfs/dbraw/zinc/11/31/26/507113126.db2.gz IVXGDWQALAZWFU-UHFFFAOYSA-N 2 2 365.817 3.106 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595078720 507383107 /nfs/dbraw/zinc/38/31/07/507383107.db2.gz AJGRLIYDGNEQPJ-NVXWUHKLSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595078720 507383113 /nfs/dbraw/zinc/38/31/13/507383113.db2.gz AJGRLIYDGNEQPJ-NVXWUHKLSA-N 2 2 374.485 3.309 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000602515754 507732768 /nfs/dbraw/zinc/73/27/68/507732768.db2.gz DFLZTBZKSUECKW-UWVGGRQHSA-N 2 2 360.277 3.135 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000602515754 507732772 /nfs/dbraw/zinc/73/27/72/507732772.db2.gz DFLZTBZKSUECKW-UWVGGRQHSA-N 2 2 360.277 3.135 20 5 FGBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907898 494397498 /nfs/dbraw/zinc/39/74/98/494397498.db2.gz KOCZYAPUJHUJPT-OAHLLOKOSA-N 2 2 358.442 3.414 20 5 FGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907898 494397502 /nfs/dbraw/zinc/39/75/02/494397502.db2.gz KOCZYAPUJHUJPT-OAHLLOKOSA-N 2 2 358.442 3.414 20 5 FGBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907898 494397506 /nfs/dbraw/zinc/39/75/06/494397506.db2.gz KOCZYAPUJHUJPT-OAHLLOKOSA-N 2 2 358.442 3.414 20 5 FGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907898 494397510 /nfs/dbraw/zinc/39/75/10/494397510.db2.gz KOCZYAPUJHUJPT-OAHLLOKOSA-N 2 2 358.442 3.414 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116396428 494773665 /nfs/dbraw/zinc/77/36/65/494773665.db2.gz IOVONVMZIQZNJI-YOEHRIQHSA-N 2 2 364.490 3.186 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134927530 495224896 /nfs/dbraw/zinc/22/48/96/495224896.db2.gz JCFDHCUQUIFYDH-CXAGYDPISA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134927530 495224901 /nfs/dbraw/zinc/22/49/01/495224901.db2.gz JCFDHCUQUIFYDH-CXAGYDPISA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000134927530 495224905 /nfs/dbraw/zinc/22/49/05/495224905.db2.gz JCFDHCUQUIFYDH-CXAGYDPISA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000134927530 495224909 /nfs/dbraw/zinc/22/49/09/495224909.db2.gz JCFDHCUQUIFYDH-CXAGYDPISA-N 2 2 356.426 3.185 20 5 FGBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000156548858 496275894 /nfs/dbraw/zinc/27/58/94/496275894.db2.gz UUGUCUGIAYOREZ-KBXCAEBGSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000156548858 496275899 /nfs/dbraw/zinc/27/58/99/496275899.db2.gz UUGUCUGIAYOREZ-KBXCAEBGSA-N 2 2 371.441 3.011 20 5 FGBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000247012397 496751256 /nfs/dbraw/zinc/75/12/56/496751256.db2.gz MIKVILIZOSCURG-OXJNMPFZSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000247012397 496751261 /nfs/dbraw/zinc/75/12/61/496751261.db2.gz MIKVILIZOSCURG-OXJNMPFZSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892718 496816555 /nfs/dbraw/zinc/81/65/55/496816555.db2.gz JQMADLRXKTVDFI-CABCVRRESA-N 2 2 374.510 3.220 20 5 FGBDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892718 496816557 /nfs/dbraw/zinc/81/65/57/496816557.db2.gz JQMADLRXKTVDFI-CABCVRRESA-N 2 2 374.510 3.220 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC1([NH+](C)C)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272558442 497663021 /nfs/dbraw/zinc/66/30/21/497663021.db2.gz SSYCDXNXZIJQNB-GOSISDBHSA-N 2 2 371.485 3.272 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364704171 498101912 /nfs/dbraw/zinc/10/19/12/498101912.db2.gz IMUXKYCMLUUOMH-JXFKEZNVSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364704171 498101918 /nfs/dbraw/zinc/10/19/18/498101918.db2.gz IMUXKYCMLUUOMH-JXFKEZNVSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364704171 498101923 /nfs/dbraw/zinc/10/19/23/498101923.db2.gz IMUXKYCMLUUOMH-JXFKEZNVSA-N 2 2 370.453 3.123 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364704171 498101929 /nfs/dbraw/zinc/10/19/29/498101929.db2.gz IMUXKYCMLUUOMH-JXFKEZNVSA-N 2 2 370.453 3.123 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000370670218 499242366 /nfs/dbraw/zinc/24/23/66/499242366.db2.gz XYGPVFNZLIZUDN-SFHVURJKSA-N 2 2 363.421 3.286 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000368135683 499268255 /nfs/dbraw/zinc/26/82/55/499268255.db2.gz RMXZHUAQGFYVLR-CQSZACIVSA-N 2 2 369.450 3.441 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000368135683 499268257 /nfs/dbraw/zinc/26/82/57/499268257.db2.gz RMXZHUAQGFYVLR-CQSZACIVSA-N 2 2 369.450 3.441 20 5 FGBDLP Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000369086556 499364209 /nfs/dbraw/zinc/36/42/09/499364209.db2.gz XVCGCQOZFRFVFE-SFHVURJKSA-N 2 2 367.409 3.125 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)co2)cc1 ZINC000372385846 499427192 /nfs/dbraw/zinc/42/71/92/499427192.db2.gz RKDCLIUNOKNBHK-AYOQOUSVSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)co2)cc1 ZINC000372385846 499427194 /nfs/dbraw/zinc/42/71/94/499427194.db2.gz RKDCLIUNOKNBHK-AYOQOUSVSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)co2)cc1 ZINC000372385846 499427195 /nfs/dbraw/zinc/42/71/95/499427195.db2.gz RKDCLIUNOKNBHK-AYOQOUSVSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)co2)cc1 ZINC000372385846 499427197 /nfs/dbraw/zinc/42/71/97/499427197.db2.gz RKDCLIUNOKNBHK-AYOQOUSVSA-N 2 2 368.437 3.166 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373487669 499472913 /nfs/dbraw/zinc/47/29/13/499472913.db2.gz XDBCZUYCUCSHNH-UHFFFAOYSA-N 2 2 357.376 3.490 20 5 FGBDLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000376540243 499616610 /nfs/dbraw/zinc/61/66/10/499616610.db2.gz OTLKGYHWKYNDLC-UHFFFAOYSA-N 2 2 360.377 3.066 20 5 FGBDLP COc1cc(C[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414879510 499840563 /nfs/dbraw/zinc/84/05/63/499840563.db2.gz PRFTVQGUAATSLY-UHFFFAOYSA-N 2 2 371.437 3.153 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000425421773 500101237 /nfs/dbraw/zinc/10/12/37/500101237.db2.gz WEDSNJUEJURGPT-GFCCVEGCSA-N 2 2 365.231 3.460 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000425421773 500101240 /nfs/dbraw/zinc/10/12/40/500101240.db2.gz WEDSNJUEJURGPT-GFCCVEGCSA-N 2 2 365.231 3.460 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423342742 500365625 /nfs/dbraw/zinc/36/56/25/500365625.db2.gz VNMDISVFPIPFJU-PNHOKKKMSA-N 2 2 355.438 3.400 20 5 FGBDLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423566543 500385259 /nfs/dbraw/zinc/38/52/59/500385259.db2.gz MBRJFCPADJTQJD-KRWDZBQOSA-N 3 2 368.481 3.239 20 5 FGBDLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435397652 500967731 /nfs/dbraw/zinc/96/77/31/500967731.db2.gz IXMSWVQFZJQCGY-UHFFFAOYSA-N 2 2 371.437 3.106 20 5 FGBDLP Cc1ncsc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CC[NH2+]C1 ZINC000435429275 500973549 /nfs/dbraw/zinc/97/35/49/500973549.db2.gz VHKAVKVOQFNKSI-OAHLLOKOSA-N 2 2 360.483 3.280 20 5 FGBDLP Cc1ncsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CC[NH2+]C1 ZINC000435429275 500973552 /nfs/dbraw/zinc/97/35/52/500973552.db2.gz VHKAVKVOQFNKSI-OAHLLOKOSA-N 2 2 360.483 3.280 20 5 FGBDLP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000599057914 506297776 /nfs/dbraw/zinc/29/77/76/506297776.db2.gz CQHZYZCAAMJFSC-KRWDZBQOSA-N 2 2 370.453 3.224 20 5 FGBDLP C[NH+](C)CCOc1cc(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])ccn1 ZINC000599063576 506304942 /nfs/dbraw/zinc/30/49/42/506304942.db2.gz DAYDPXDLFUBSDU-UHFFFAOYSA-N 2 2 367.409 3.091 20 5 FGBDLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549528529 504842695 /nfs/dbraw/zinc/84/26/95/504842695.db2.gz ZUPRGVVNWLGSSB-UHFFFAOYSA-N 2 2 374.407 3.360 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000595005635 507350454 /nfs/dbraw/zinc/35/04/54/507350454.db2.gz BVBYOPBQBNNUJV-CQSZACIVSA-N 2 2 356.426 3.318 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000595081955 507383592 /nfs/dbraw/zinc/38/35/92/507383592.db2.gz UUYALENNEADZOV-KBAYOESNSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000595081955 507383597 /nfs/dbraw/zinc/38/35/97/507383597.db2.gz UUYALENNEADZOV-KBAYOESNSA-N 2 2 361.490 3.272 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000592378663 507627406 /nfs/dbraw/zinc/62/74/06/507627406.db2.gz FBADCCFCJPYNBU-UHFFFAOYSA-N 2 2 354.410 3.282 20 5 FGBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404309 507664514 /nfs/dbraw/zinc/66/45/14/507664514.db2.gz GJTXKVPSVVEKBJ-APWZRJJASA-N 2 2 357.454 3.047 20 5 FGBDLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602505254 507730169 /nfs/dbraw/zinc/73/01/69/507730169.db2.gz YILHGNCHQRFUJB-UHFFFAOYSA-N 2 2 362.293 3.381 20 5 FGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000746662474 722612928 /nfs/dbraw/zinc/61/29/28/722612928.db2.gz AJQCLRUXYISYOK-UHFFFAOYSA-N 2 2 367.877 3.183 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000787301683 725024081 /nfs/dbraw/zinc/02/40/81/725024081.db2.gz CNHJGEGKTMBQON-WMLDXEAASA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000787301683 725024082 /nfs/dbraw/zinc/02/40/82/725024082.db2.gz CNHJGEGKTMBQON-WMLDXEAASA-N 2 2 369.893 3.475 20 5 FGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000841039204 730204990 /nfs/dbraw/zinc/20/49/90/730204990.db2.gz FIGVMSGCTXKGRB-CQSZACIVSA-N 2 2 356.264 3.355 20 5 FGBDLP Cc1c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000080968952 493804283 /nfs/dbraw/zinc/80/42/83/493804283.db2.gz SKWQFJNQIQRZBO-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP Cc1c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000080968952 493804290 /nfs/dbraw/zinc/80/42/90/493804290.db2.gz SKWQFJNQIQRZBO-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000093563871 494901339 /nfs/dbraw/zinc/90/13/39/494901339.db2.gz FIFBKFLWVYPLIR-INIZCTEOSA-N 2 2 363.458 3.062 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000093563871 494901342 /nfs/dbraw/zinc/90/13/42/494901342.db2.gz FIFBKFLWVYPLIR-INIZCTEOSA-N 2 2 363.458 3.062 20 5 FGBDLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182747511 495686203 /nfs/dbraw/zinc/68/62/03/495686203.db2.gz JGEHNBBCPSXVRG-HNNXBMFYSA-N 2 2 356.426 3.190 20 5 FGBDLP Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271134449 497270647 /nfs/dbraw/zinc/27/06/47/497270647.db2.gz BOVNVSDARPTLDQ-UHFFFAOYSA-N 2 2 366.425 3.098 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271196934 497288108 /nfs/dbraw/zinc/28/81/08/497288108.db2.gz OWYJXDOHJGPKFV-UHFFFAOYSA-N 2 2 352.341 3.299 20 5 FGBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289213811 498063433 /nfs/dbraw/zinc/06/34/33/498063433.db2.gz CCEHWLUYXIDWSD-NNQSOWQGSA-N 2 2 355.385 3.253 20 5 FGBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289213811 498063440 /nfs/dbraw/zinc/06/34/40/498063440.db2.gz CCEHWLUYXIDWSD-NNQSOWQGSA-N 2 2 355.385 3.253 20 5 FGBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289213811 498063448 /nfs/dbraw/zinc/06/34/48/498063448.db2.gz CCEHWLUYXIDWSD-NNQSOWQGSA-N 2 2 355.385 3.253 20 5 FGBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289213811 498063455 /nfs/dbraw/zinc/06/34/55/498063455.db2.gz CCEHWLUYXIDWSD-NNQSOWQGSA-N 2 2 355.385 3.253 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781607 498552271 /nfs/dbraw/zinc/55/22/71/498552271.db2.gz OEUIBQYGZXYKLJ-MSOLQXFVSA-N 2 2 358.442 3.285 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781607 498552279 /nfs/dbraw/zinc/55/22/79/498552279.db2.gz OEUIBQYGZXYKLJ-MSOLQXFVSA-N 2 2 358.442 3.285 20 5 FGBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000573068214 506110739 /nfs/dbraw/zinc/11/07/39/506110739.db2.gz CZQLKNUIRTXOFK-QRQLOZEOSA-N 2 2 371.485 3.385 20 5 FGBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000573068214 506110743 /nfs/dbraw/zinc/11/07/43/506110743.db2.gz CZQLKNUIRTXOFK-QRQLOZEOSA-N 2 2 371.485 3.385 20 5 FGBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000370287563 499205947 /nfs/dbraw/zinc/20/59/47/499205947.db2.gz HRBAOTKINJVSHA-UHFFFAOYSA-N 2 2 358.417 3.225 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)c1 ZINC000368087662 499262834 /nfs/dbraw/zinc/26/28/34/499262834.db2.gz BVPIRFWPOPEVFL-LBPRGKRZSA-N 2 2 355.423 3.089 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cs2)c1 ZINC000368087662 499262835 /nfs/dbraw/zinc/26/28/35/499262835.db2.gz BVPIRFWPOPEVFL-LBPRGKRZSA-N 2 2 355.423 3.089 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231045 499492586 /nfs/dbraw/zinc/49/25/86/499492586.db2.gz REGAIWQBUJYWHP-ZWKOTPCHSA-N 2 2 358.442 3.113 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231045 499492587 /nfs/dbraw/zinc/49/25/87/499492587.db2.gz REGAIWQBUJYWHP-ZWKOTPCHSA-N 2 2 358.442 3.113 20 5 FGBDLP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414798096 499832434 /nfs/dbraw/zinc/83/24/34/499832434.db2.gz DSXWMQSWBYTUPM-UHFFFAOYSA-N 2 2 368.231 3.444 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448026967 500708846 /nfs/dbraw/zinc/70/88/46/500708846.db2.gz KRQCBVPNKDTSCB-WMLDXEAASA-N 2 2 362.474 3.022 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448026967 500708851 /nfs/dbraw/zinc/70/88/51/500708851.db2.gz KRQCBVPNKDTSCB-WMLDXEAASA-N 2 2 362.474 3.022 20 5 FGBDLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448757067 500825703 /nfs/dbraw/zinc/82/57/03/500825703.db2.gz BTGTUZOXEHJDKJ-OAHLLOKOSA-N 2 2 373.457 3.021 20 5 FGBDLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C[NH3+])C1 ZINC000435372328 500961285 /nfs/dbraw/zinc/96/12/85/500961285.db2.gz RFKJYDARAGXQJG-HOTGVXAUSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C[NH3+])C1 ZINC000435372328 500961287 /nfs/dbraw/zinc/96/12/87/500961287.db2.gz RFKJYDARAGXQJG-HOTGVXAUSA-N 2 2 361.467 3.261 20 5 FGBDLP O=[N+]([O-])c1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1Oc1ccc(F)cc1 ZINC000596102560 506260706 /nfs/dbraw/zinc/26/07/06/506260706.db2.gz JICBMWMXAWJHJJ-UHFFFAOYSA-N 2 2 357.385 3.368 20 5 FGBDLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181239 502594754 /nfs/dbraw/zinc/59/47/54/502594754.db2.gz VTNBRWZHDZGLTB-UTKZUKDTSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181239 502594760 /nfs/dbraw/zinc/59/47/60/502594760.db2.gz VTNBRWZHDZGLTB-UTKZUKDTSA-N 2 2 369.465 3.191 20 5 FGBDLP Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489329649 502929609 /nfs/dbraw/zinc/92/96/09/502929609.db2.gz JNUAYJCCLZBFNS-QGZVFWFLSA-N 2 2 357.458 3.170 20 5 FGBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092558 503666112 /nfs/dbraw/zinc/66/61/12/503666112.db2.gz WZWGCGUGYRXQPE-LIRRHRJNSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092558 503666120 /nfs/dbraw/zinc/66/61/20/503666120.db2.gz WZWGCGUGYRXQPE-LIRRHRJNSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092558 503666127 /nfs/dbraw/zinc/66/61/27/503666127.db2.gz WZWGCGUGYRXQPE-LIRRHRJNSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092558 503666131 /nfs/dbraw/zinc/66/61/31/503666131.db2.gz WZWGCGUGYRXQPE-LIRRHRJNSA-N 2 2 371.437 3.389 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)o2)c1 ZINC000565046856 504780392 /nfs/dbraw/zinc/78/03/92/504780392.db2.gz WAFBBUXQAIBOLF-MSOLQXFVSA-N 2 2 370.453 3.399 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)o2)c1 ZINC000565046856 504780394 /nfs/dbraw/zinc/78/03/94/504780394.db2.gz WAFBBUXQAIBOLF-MSOLQXFVSA-N 2 2 370.453 3.399 20 5 FGBDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610272744 507169779 /nfs/dbraw/zinc/16/97/79/507169779.db2.gz IXDOQXQOESPJHZ-UHFFFAOYSA-N 2 2 374.872 3.290 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000594739832 507262728 /nfs/dbraw/zinc/26/27/28/507262728.db2.gz YGHNXZQVJLIBJE-WMZOPIPTSA-N 2 2 373.428 3.286 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595102142 507393724 /nfs/dbraw/zinc/39/37/24/507393724.db2.gz KECYWLKRAZBHIQ-PWIZWCRZSA-N 2 2 373.497 3.149 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595503800 507534072 /nfs/dbraw/zinc/53/40/72/507534072.db2.gz CDFXCMQBRQSXRU-KUHUBIRLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595503800 507534081 /nfs/dbraw/zinc/53/40/81/507534081.db2.gz CDFXCMQBRQSXRU-KUHUBIRLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595503800 507534092 /nfs/dbraw/zinc/53/40/92/507534092.db2.gz CDFXCMQBRQSXRU-KUHUBIRLSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595503800 507534096 /nfs/dbraw/zinc/53/40/96/507534096.db2.gz CDFXCMQBRQSXRU-KUHUBIRLSA-N 2 2 371.441 3.124 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592376505 507626522 /nfs/dbraw/zinc/62/65/22/507626522.db2.gz UWEAZNHGWUMDDX-QUCCMNQESA-N 2 2 369.465 3.429 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592376505 507626525 /nfs/dbraw/zinc/62/65/25/507626525.db2.gz UWEAZNHGWUMDDX-QUCCMNQESA-N 2 2 369.465 3.429 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000130558131 495410737 /nfs/dbraw/zinc/41/07/37/495410737.db2.gz ZWMHYWJZXJNRTJ-SFHVURJKSA-N 2 2 350.422 3.396 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000130558339 495411153 /nfs/dbraw/zinc/41/11/53/495411153.db2.gz ZWMHYWJZXJNRTJ-GOSISDBHSA-N 2 2 350.422 3.396 20 5 FGBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000156548980 496276481 /nfs/dbraw/zinc/27/64/81/496276481.db2.gz UUGUCUGIAYOREZ-RDTXWAMCSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000156548980 496276483 /nfs/dbraw/zinc/27/64/83/496276483.db2.gz UUGUCUGIAYOREZ-RDTXWAMCSA-N 2 2 371.441 3.011 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265446671 497122209 /nfs/dbraw/zinc/12/22/09/497122209.db2.gz BDCPUMKHFPXEHT-GFCCVEGCSA-N 2 2 368.397 3.309 20 5 FGBDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278976039 497288411 /nfs/dbraw/zinc/28/84/11/497288411.db2.gz OEMPIXZMYJLGDG-FNHZYXHNSA-N 2 2 356.426 3.216 20 5 FGBDLP CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301474052 498125530 /nfs/dbraw/zinc/12/55/30/498125530.db2.gz RIPPEOAMHGDBJU-QGZVFWFLSA-N 2 2 355.442 3.281 20 5 FGBDLP Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373466351 499471436 /nfs/dbraw/zinc/47/14/36/499471436.db2.gz ODDWNTZTYOOVEG-UHFFFAOYSA-N 2 2 369.469 3.102 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cs2)c1 ZINC000377642239 499714426 /nfs/dbraw/zinc/71/44/26/499714426.db2.gz BHQBYAYRVJCOJO-HOCLYGCPSA-N 2 2 358.467 3.435 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000377642239 499714428 /nfs/dbraw/zinc/71/44/28/499714428.db2.gz BHQBYAYRVJCOJO-HOCLYGCPSA-N 2 2 358.467 3.435 20 5 FGBDLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414847527 499837240 /nfs/dbraw/zinc/83/72/40/499837240.db2.gz OWOAQKNZXCQDID-KRWDZBQOSA-N 2 2 371.437 3.024 20 5 FGBDLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414867489 499839432 /nfs/dbraw/zinc/83/94/32/499839432.db2.gz OJHDKIWNUYVQSE-KRWDZBQOSA-N 2 2 371.437 3.024 20 5 FGBDLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000414876810 499840336 /nfs/dbraw/zinc/84/03/36/499840336.db2.gz DYQZJPIJEYJZPZ-UXHICEINSA-N 2 2 355.438 3.147 20 5 FGBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000427101898 500353792 /nfs/dbraw/zinc/35/37/92/500353792.db2.gz DBTGVGCNIRMMDP-GUYCJALGSA-N 2 2 357.410 3.047 20 5 FGBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000427101898 500353794 /nfs/dbraw/zinc/35/37/94/500353794.db2.gz DBTGVGCNIRMMDP-GUYCJALGSA-N 2 2 357.410 3.047 20 5 FGBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000432347098 500502074 /nfs/dbraw/zinc/50/20/74/500502074.db2.gz MBNSZUZQBFDMSN-MRXNPFEDSA-N 2 2 373.453 3.445 20 5 FGBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000432347098 500502076 /nfs/dbraw/zinc/50/20/76/500502076.db2.gz MBNSZUZQBFDMSN-MRXNPFEDSA-N 2 2 373.453 3.445 20 5 FGBDLP CC(C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000420960764 500542830 /nfs/dbraw/zinc/54/28/30/500542830.db2.gz HDAGSLUJXUCCNX-UHFFFAOYSA-N 2 2 369.465 3.452 20 5 FGBDLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000447538983 500620422 /nfs/dbraw/zinc/62/04/22/500620422.db2.gz DWVYWMDOZGLAJM-QYZOEREBSA-N 2 2 371.485 3.476 20 5 FGBDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480246269 502511316 /nfs/dbraw/zinc/51/13/16/502511316.db2.gz YERHNBPIWCYVQV-GOSISDBHSA-N 2 2 368.481 3.458 20 5 FGBDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000511777806 503385179 /nfs/dbraw/zinc/38/51/79/503385179.db2.gz CIKXSXAMMPWBLO-UHFFFAOYSA-N 2 2 374.388 3.422 20 5 FGBDLP Cc1[nH+]cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000554877813 505287776 /nfs/dbraw/zinc/28/77/76/505287776.db2.gz RYLLWIQGJGKRCQ-UHFFFAOYSA-N 2 2 351.410 3.054 20 5 FGBDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584346839 507295154 /nfs/dbraw/zinc/29/51/54/507295154.db2.gz HNEMAVFNATZUEB-MRXNPFEDSA-N 2 2 370.453 3.034 20 5 FGBDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584346839 507295164 /nfs/dbraw/zinc/29/51/64/507295164.db2.gz HNEMAVFNATZUEB-MRXNPFEDSA-N 2 2 370.453 3.034 20 5 FGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912738 494399499 /nfs/dbraw/zinc/39/94/99/494399499.db2.gz AFDZSGDWMCWCAB-RDTXWAMCSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912738 494399503 /nfs/dbraw/zinc/39/95/03/494399503.db2.gz AFDZSGDWMCWCAB-RDTXWAMCSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912738 494399507 /nfs/dbraw/zinc/39/95/07/494399507.db2.gz AFDZSGDWMCWCAB-RDTXWAMCSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912738 494399511 /nfs/dbraw/zinc/39/95/11/494399511.db2.gz AFDZSGDWMCWCAB-RDTXWAMCSA-N 2 2 358.442 3.412 20 5 FGBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091892305 494714222 /nfs/dbraw/zinc/71/42/22/494714222.db2.gz BEWJHISYGKOCIC-MJGOQNOKSA-N 2 2 369.469 3.054 20 5 FGBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091892305 494714230 /nfs/dbraw/zinc/71/42/30/494714230.db2.gz BEWJHISYGKOCIC-MJGOQNOKSA-N 2 2 369.469 3.054 20 5 FGBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091892305 494714243 /nfs/dbraw/zinc/71/42/43/494714243.db2.gz BEWJHISYGKOCIC-MJGOQNOKSA-N 2 2 369.469 3.054 20 5 FGBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091892305 494714249 /nfs/dbraw/zinc/71/42/49/494714249.db2.gz BEWJHISYGKOCIC-MJGOQNOKSA-N 2 2 369.469 3.054 20 5 FGBDLP O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000101544848 495074223 /nfs/dbraw/zinc/07/42/23/495074223.db2.gz NNUQXYADPRJTRK-UHFFFAOYSA-N 2 2 363.421 3.103 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000102419163 495135396 /nfs/dbraw/zinc/13/53/96/495135396.db2.gz JRRBNCUXSRLESH-UHFFFAOYSA-N 2 2 356.382 3.240 20 5 FGBDLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182747491 495685819 /nfs/dbraw/zinc/68/58/19/495685819.db2.gz JGEHNBBCPSXVRG-OAHLLOKOSA-N 2 2 356.426 3.190 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188329017 496754814 /nfs/dbraw/zinc/75/48/14/496754814.db2.gz VIKZSTKIHPUUGT-DYESRHJHSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188329017 496754817 /nfs/dbraw/zinc/75/48/17/496754817.db2.gz VIKZSTKIHPUUGT-DYESRHJHSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188329017 496754820 /nfs/dbraw/zinc/75/48/20/496754820.db2.gz VIKZSTKIHPUUGT-DYESRHJHSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188329017 496754824 /nfs/dbraw/zinc/75/48/24/496754824.db2.gz VIKZSTKIHPUUGT-DYESRHJHSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284895250 497933497 /nfs/dbraw/zinc/93/34/97/497933497.db2.gz BZUWHCOGAWOTOB-HUUCEWRRSA-N 2 2 369.469 3.448 20 5 FGBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301545621 498156960 /nfs/dbraw/zinc/15/69/60/498156960.db2.gz PITRPZLLQFYCIO-UHFFFAOYSA-N 2 2 360.380 3.052 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878442 499374543 /nfs/dbraw/zinc/37/45/43/499374543.db2.gz NSHUONKBVYUBTB-URLQWDBASA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000371878442 499374545 /nfs/dbraw/zinc/37/45/45/499374545.db2.gz NSHUONKBVYUBTB-URLQWDBASA-N 2 2 357.458 3.062 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cs2)c1 ZINC000377642240 499714612 /nfs/dbraw/zinc/71/46/12/499714612.db2.gz BHQBYAYRVJCOJO-ZBFHGGJFSA-N 2 2 358.467 3.435 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000377642240 499714613 /nfs/dbraw/zinc/71/46/13/499714613.db2.gz BHQBYAYRVJCOJO-ZBFHGGJFSA-N 2 2 358.467 3.435 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000430201003 500207595 /nfs/dbraw/zinc/20/75/95/500207595.db2.gz BMSGQBUYBZRXLJ-UHFFFAOYSA-N 2 2 358.442 3.492 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000423322264 500363744 /nfs/dbraw/zinc/36/37/44/500363744.db2.gz GIOUIWCLYLKQCS-XPGWFJOJSA-N 2 2 369.465 3.270 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448026965 500709178 /nfs/dbraw/zinc/70/91/78/500709178.db2.gz KRQCBVPNKDTSCB-PBHICJAKSA-N 2 2 362.474 3.022 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448026965 500709180 /nfs/dbraw/zinc/70/91/80/500709180.db2.gz KRQCBVPNKDTSCB-PBHICJAKSA-N 2 2 362.474 3.022 20 5 FGBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602662385 506250306 /nfs/dbraw/zinc/25/03/06/506250306.db2.gz MYSHRCZLYAESCY-UHFFFAOYSA-N 2 2 373.276 3.446 20 5 FGBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602662385 506250310 /nfs/dbraw/zinc/25/03/10/506250310.db2.gz MYSHRCZLYAESCY-UHFFFAOYSA-N 2 2 373.276 3.446 20 5 FGBDLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000596103112 506260015 /nfs/dbraw/zinc/26/00/15/506260015.db2.gz AGJAUELZHDKJRE-HNNXBMFYSA-N 2 2 365.437 3.145 20 5 FGBDLP Cc1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000471022469 501894207 /nfs/dbraw/zinc/89/42/07/501894207.db2.gz NTWVIKXJOTUPKJ-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000471022469 501894211 /nfs/dbraw/zinc/89/42/11/501894211.db2.gz NTWVIKXJOTUPKJ-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000471022469 501894213 /nfs/dbraw/zinc/89/42/13/501894213.db2.gz NTWVIKXJOTUPKJ-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP Cc1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000471022469 501894215 /nfs/dbraw/zinc/89/42/15/501894215.db2.gz NTWVIKXJOTUPKJ-BGYRXZFFSA-N 2 2 351.450 3.467 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)n1 ZINC000472615111 502401348 /nfs/dbraw/zinc/40/13/48/502401348.db2.gz ZBRZCIOIZNVYLL-SJLPKXTDSA-N 2 2 366.425 3.251 20 5 FGBDLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000509277072 502865676 /nfs/dbraw/zinc/86/56/76/502865676.db2.gz RGDYEVRAOGZYJM-UHFFFAOYSA-N 2 2 368.481 3.239 20 5 FGBDLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000509277072 502865679 /nfs/dbraw/zinc/86/56/79/502865679.db2.gz RGDYEVRAOGZYJM-UHFFFAOYSA-N 2 2 368.481 3.239 20 5 FGBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503403213 503401126 /nfs/dbraw/zinc/40/11/26/503401126.db2.gz CUZTXAITJHOEAV-INIZCTEOSA-N 2 2 370.453 3.386 20 5 FGBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503403213 503401130 /nfs/dbraw/zinc/40/11/30/503401130.db2.gz CUZTXAITJHOEAV-INIZCTEOSA-N 2 2 370.453 3.386 20 5 FGBDLP O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000590162562 506754576 /nfs/dbraw/zinc/75/45/76/506754576.db2.gz QARKFYYUWIXPJR-UHFFFAOYSA-N 2 2 366.343 3.331 20 5 FGBDLP C[NH+](C)Cc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032242362 493978280 /nfs/dbraw/zinc/97/82/80/493978280.db2.gz UEMSBPJGUIRYEI-UHFFFAOYSA-N 2 2 365.393 3.094 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000075677895 494813551 /nfs/dbraw/zinc/81/35/51/494813551.db2.gz NXLRDDUXYROKQD-KSZLIROESA-N 2 2 360.502 3.146 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000075677895 494813560 /nfs/dbraw/zinc/81/35/60/494813560.db2.gz NXLRDDUXYROKQD-KSZLIROESA-N 2 2 360.502 3.146 20 5 FGBDLP COc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1[N+](=O)[O-] ZINC000124404307 495281614 /nfs/dbraw/zinc/28/16/14/495281614.db2.gz CDVOKGPPJOQQOI-UHFFFAOYSA-N 2 2 354.410 3.213 20 5 FGBDLP C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696374 495683178 /nfs/dbraw/zinc/68/31/78/495683178.db2.gz ICDQYBPEKTVMFC-KBPBESRZSA-N 2 2 358.442 3.479 20 5 FGBDLP C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696374 495683183 /nfs/dbraw/zinc/68/31/83/495683183.db2.gz ICDQYBPEKTVMFC-KBPBESRZSA-N 2 2 358.442 3.479 20 5 FGBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2)c1 ZINC000180212222 495909252 /nfs/dbraw/zinc/90/92/52/495909252.db2.gz SSUZGOWQPFVNRN-NRFANRHFSA-N 2 2 369.465 3.121 20 5 FGBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177302099 496011462 /nfs/dbraw/zinc/01/14/62/496011462.db2.gz GNHWFVMCHYELCQ-AEFFLSMTSA-N 2 2 370.453 3.351 20 5 FGBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177302099 496011467 /nfs/dbraw/zinc/01/14/67/496011467.db2.gz GNHWFVMCHYELCQ-AEFFLSMTSA-N 2 2 370.453 3.351 20 5 FGBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177302099 496011470 /nfs/dbraw/zinc/01/14/70/496011470.db2.gz GNHWFVMCHYELCQ-AEFFLSMTSA-N 2 2 370.453 3.351 20 5 FGBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177302099 496011473 /nfs/dbraw/zinc/01/14/73/496011473.db2.gz GNHWFVMCHYELCQ-AEFFLSMTSA-N 2 2 370.453 3.351 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781610 498552811 /nfs/dbraw/zinc/55/28/11/498552811.db2.gz OEUIBQYGZXYKLJ-ZWKOTPCHSA-N 2 2 358.442 3.285 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781610 498552815 /nfs/dbraw/zinc/55/28/15/498552815.db2.gz OEUIBQYGZXYKLJ-ZWKOTPCHSA-N 2 2 358.442 3.285 20 5 FGBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cnn(C)c1 ZINC000372513021 499136889 /nfs/dbraw/zinc/13/68/89/499136889.db2.gz BDAJIGYQYPYKIB-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cnn(C)c1 ZINC000372513021 499136890 /nfs/dbraw/zinc/13/68/90/499136890.db2.gz BDAJIGYQYPYKIB-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cnn(C)c1 ZINC000372513021 499136892 /nfs/dbraw/zinc/13/68/92/499136892.db2.gz BDAJIGYQYPYKIB-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000373185840 499456033 /nfs/dbraw/zinc/45/60/33/499456033.db2.gz LVECPKRLEMPATB-VDGAXYAQSA-N 2 2 371.485 3.452 20 5 FGBDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000373185840 499456034 /nfs/dbraw/zinc/45/60/34/499456034.db2.gz LVECPKRLEMPATB-VDGAXYAQSA-N 2 2 371.485 3.452 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000377785965 499733111 /nfs/dbraw/zinc/73/31/11/499733111.db2.gz GSINDTURGUSNSO-ACJLOTCBSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000377785965 499733113 /nfs/dbraw/zinc/73/31/13/499733113.db2.gz GSINDTURGUSNSO-ACJLOTCBSA-N 2 2 360.483 3.360 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000425421774 500101142 /nfs/dbraw/zinc/10/11/42/500101142.db2.gz WEDSNJUEJURGPT-LBPRGKRZSA-N 2 2 365.231 3.460 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000425421774 500101144 /nfs/dbraw/zinc/10/11/44/500101144.db2.gz WEDSNJUEJURGPT-LBPRGKRZSA-N 2 2 365.231 3.460 20 5 FGBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000422638442 500284569 /nfs/dbraw/zinc/28/45/69/500284569.db2.gz QEVSVGQLLPWDBZ-MDZLAQPJSA-N 2 2 373.400 3.010 20 5 FGBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000422638442 500284572 /nfs/dbraw/zinc/28/45/72/500284572.db2.gz QEVSVGQLLPWDBZ-MDZLAQPJSA-N 2 2 373.400 3.010 20 5 FGBDLP Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420220721 500426096 /nfs/dbraw/zinc/42/60/96/500426096.db2.gz SYDBEXTZBODDSY-SFHVURJKSA-N 2 2 367.453 3.329 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000447564785 500625852 /nfs/dbraw/zinc/62/58/52/500625852.db2.gz ZCVYDDIYCXWTCP-HZPDHXFCSA-N 2 2 358.446 3.152 20 5 FGBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433134403 500633060 /nfs/dbraw/zinc/63/30/60/500633060.db2.gz QWINABNMRUEDFE-KHYOSLBOSA-N 2 2 361.486 3.406 20 5 FGBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433134403 500633062 /nfs/dbraw/zinc/63/30/62/500633062.db2.gz QWINABNMRUEDFE-KHYOSLBOSA-N 2 2 361.486 3.406 20 5 FGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449092314 500922782 /nfs/dbraw/zinc/92/27/82/500922782.db2.gz UFHDJLYJKZZEKQ-MRXNPFEDSA-N 2 2 354.454 3.175 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000598918726 506226669 /nfs/dbraw/zinc/22/66/69/506226669.db2.gz XHRFUYVNIGDYIN-UHFFFAOYSA-N 2 2 357.401 3.060 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599064191 506304534 /nfs/dbraw/zinc/30/45/34/506304534.db2.gz KZCSXGBNDFTVEK-BEFAXECRSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599064191 506304539 /nfs/dbraw/zinc/30/45/39/506304539.db2.gz KZCSXGBNDFTVEK-BEFAXECRSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480246270 502511588 /nfs/dbraw/zinc/51/15/88/502511588.db2.gz YERHNBPIWCYVQV-SFHVURJKSA-N 2 2 368.481 3.458 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000470170093 502691924 /nfs/dbraw/zinc/69/19/24/502691924.db2.gz OKCJKRWLRGUYOZ-LYPXWFNGSA-N 2 2 359.470 3.042 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000470170093 502691931 /nfs/dbraw/zinc/69/19/31/502691931.db2.gz OKCJKRWLRGUYOZ-LYPXWFNGSA-N 2 2 359.470 3.042 20 5 FGBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540153414 503691581 /nfs/dbraw/zinc/69/15/81/503691581.db2.gz KILBOBUAJSCKNQ-OXJNMPFZSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540153414 503691587 /nfs/dbraw/zinc/69/15/87/503691587.db2.gz KILBOBUAJSCKNQ-OXJNMPFZSA-N 2 2 354.454 3.033 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000595010418 507351630 /nfs/dbraw/zinc/35/16/30/507351630.db2.gz CGKMQHOGXYMLNA-HNNXBMFYSA-N 2 2 370.453 3.314 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cs2)c1 ZINC000592424696 507652456 /nfs/dbraw/zinc/65/24/56/507652456.db2.gz UVYHHBDUKMZNMC-UHFFFAOYSA-N 2 2 358.467 3.435 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cs2)c1 ZINC000592424696 507652460 /nfs/dbraw/zinc/65/24/60/507652460.db2.gz UVYHHBDUKMZNMC-UHFFFAOYSA-N 2 2 358.467 3.435 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930092754 760529411 /nfs/dbraw/zinc/52/94/11/760529411.db2.gz DGRHEBPJUJWVQP-LLVKDONJSA-N 2 2 365.231 3.080 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930092754 760529416 /nfs/dbraw/zinc/52/94/16/760529416.db2.gz DGRHEBPJUJWVQP-LLVKDONJSA-N 2 2 365.231 3.080 20 5 FGBDLP Cc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)nc(C(C)C)[nH+]1 ZINC000071951301 494111617 /nfs/dbraw/zinc/11/16/17/494111617.db2.gz XZEGGBZRPCLGJR-UHFFFAOYSA-N 2 2 369.469 3.447 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017669 494809881 /nfs/dbraw/zinc/80/98/81/494809881.db2.gz CNRNWHPYSQSHEJ-GOSISDBHSA-N 2 2 361.486 3.262 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017669 494809888 /nfs/dbraw/zinc/80/98/88/494809888.db2.gz CNRNWHPYSQSHEJ-GOSISDBHSA-N 2 2 361.486 3.262 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134717212 495191308 /nfs/dbraw/zinc/19/13/08/495191308.db2.gz XIPRWBJEMLEIQR-INIZCTEOSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134717212 495191313 /nfs/dbraw/zinc/19/13/13/495191313.db2.gz XIPRWBJEMLEIQR-INIZCTEOSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130832666 495452921 /nfs/dbraw/zinc/45/29/21/495452921.db2.gz COFMLRZDZVWFPS-UHFFFAOYSA-N 2 2 355.398 3.277 20 5 FGBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130832666 495452927 /nfs/dbraw/zinc/45/29/27/495452927.db2.gz COFMLRZDZVWFPS-UHFFFAOYSA-N 2 2 355.398 3.277 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139822303 495483372 /nfs/dbraw/zinc/48/33/72/495483372.db2.gz RGXLBYSZGOYWOS-YSVLISHTSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139822303 495483375 /nfs/dbraw/zinc/48/33/75/495483375.db2.gz RGXLBYSZGOYWOS-YSVLISHTSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139822303 495483377 /nfs/dbraw/zinc/48/33/77/495483377.db2.gz RGXLBYSZGOYWOS-YSVLISHTSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139822303 495483380 /nfs/dbraw/zinc/48/33/80/495483380.db2.gz RGXLBYSZGOYWOS-YSVLISHTSA-N 2 2 371.441 3.122 20 5 FGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000571721649 505798282 /nfs/dbraw/zinc/79/82/82/505798282.db2.gz HGGFXAZHRRKKFH-SFHVURJKSA-N 2 2 368.437 3.243 20 5 FGBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000571721649 505798283 /nfs/dbraw/zinc/79/82/83/505798283.db2.gz HGGFXAZHRRKKFH-SFHVURJKSA-N 2 2 368.437 3.243 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000245447994 497412641 /nfs/dbraw/zinc/41/26/41/497412641.db2.gz MMQZLLMWONRXSY-HZPDHXFCSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000245447994 497412649 /nfs/dbraw/zinc/41/26/49/497412649.db2.gz MMQZLLMWONRXSY-HZPDHXFCSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000245447994 497412656 /nfs/dbraw/zinc/41/26/56/497412656.db2.gz MMQZLLMWONRXSY-HZPDHXFCSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000245447994 497412660 /nfs/dbraw/zinc/41/26/60/497412660.db2.gz MMQZLLMWONRXSY-HZPDHXFCSA-N 2 2 362.474 3.036 20 5 FGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285256151 498035266 /nfs/dbraw/zinc/03/52/66/498035266.db2.gz IQBCWFGJEAVNIJ-ACJLOTCBSA-N 2 2 371.428 3.100 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285256151 498035259 /nfs/dbraw/zinc/03/52/59/498035259.db2.gz IQBCWFGJEAVNIJ-ACJLOTCBSA-N 2 2 371.428 3.100 20 5 FGBDLP Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302137401 498414997 /nfs/dbraw/zinc/41/49/97/498414997.db2.gz DLTAOKLWMBERCK-ZDUSSCGKSA-N 2 2 371.466 3.065 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375798872 499556758 /nfs/dbraw/zinc/55/67/58/499556758.db2.gz XXTAPMGIJQUWBI-OAHLLOKOSA-N 2 2 371.441 3.190 20 5 FGBDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375798872 499556759 /nfs/dbraw/zinc/55/67/59/499556759.db2.gz XXTAPMGIJQUWBI-OAHLLOKOSA-N 2 2 371.441 3.190 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377261561 499674849 /nfs/dbraw/zinc/67/48/49/499674849.db2.gz JUTOEAXCJTZVDX-HNNXBMFYSA-N 2 2 367.409 3.363 20 5 FGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377261561 499674850 /nfs/dbraw/zinc/67/48/50/499674850.db2.gz JUTOEAXCJTZVDX-HNNXBMFYSA-N 2 2 367.409 3.363 20 5 FGBDLP CCC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431092848 500335039 /nfs/dbraw/zinc/33/50/39/500335039.db2.gz FXLKYKMEWNZGRV-UHFFFAOYSA-N 2 2 373.400 3.169 20 5 FGBDLP CCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431092848 500335042 /nfs/dbraw/zinc/33/50/42/500335042.db2.gz FXLKYKMEWNZGRV-UHFFFAOYSA-N 2 2 373.400 3.169 20 5 FGBDLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447510425 500614403 /nfs/dbraw/zinc/61/44/03/500614403.db2.gz PENHWFGOZQRBIN-RCCFBDPRSA-N 2 2 357.458 3.168 20 5 FGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447512638 500614794 /nfs/dbraw/zinc/61/47/94/500614794.db2.gz QHSYTIFUCWVMII-CRAIPNDOSA-N 2 2 368.441 3.223 20 5 FGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449085713 500921905 /nfs/dbraw/zinc/92/19/05/500921905.db2.gz AHQCZVJEUKPXIX-MRXNPFEDSA-N 2 2 354.454 3.175 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471011248 501890603 /nfs/dbraw/zinc/89/06/03/501890603.db2.gz IUEKAKAZBQXKKW-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471011248 501890605 /nfs/dbraw/zinc/89/06/05/501890605.db2.gz IUEKAKAZBQXKKW-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471011248 501890609 /nfs/dbraw/zinc/89/06/09/501890609.db2.gz IUEKAKAZBQXKKW-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471011248 501890613 /nfs/dbraw/zinc/89/06/13/501890613.db2.gz IUEKAKAZBQXKKW-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000535809211 504552017 /nfs/dbraw/zinc/55/20/17/504552017.db2.gz LMQYIVMQTQKAJE-ILZDJORESA-N 2 2 361.486 3.402 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000535809211 504552020 /nfs/dbraw/zinc/55/20/20/504552020.db2.gz LMQYIVMQTQKAJE-ILZDJORESA-N 2 2 361.486 3.402 20 5 FGBDLP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000563012987 505020018 /nfs/dbraw/zinc/02/00/18/505020018.db2.gz DROULZKBCLREQG-FOIQADDNSA-N 2 2 370.453 3.204 20 5 FGBDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000591275511 507178485 /nfs/dbraw/zinc/17/84/85/507178485.db2.gz SOPRFZXHYOCNJP-KRWDZBQOSA-N 2 2 371.437 3.279 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595503801 507534942 /nfs/dbraw/zinc/53/49/42/507534942.db2.gz CDFXCMQBRQSXRU-LIRRHRJNSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595503801 507534946 /nfs/dbraw/zinc/53/49/46/507534946.db2.gz CDFXCMQBRQSXRU-LIRRHRJNSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595503801 507534952 /nfs/dbraw/zinc/53/49/52/507534952.db2.gz CDFXCMQBRQSXRU-LIRRHRJNSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595503801 507534955 /nfs/dbraw/zinc/53/49/55/507534955.db2.gz CDFXCMQBRQSXRU-LIRRHRJNSA-N 2 2 371.441 3.124 20 5 FGBDLP COc1cc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000614741420 507639660 /nfs/dbraw/zinc/63/96/60/507639660.db2.gz ZGVHHIFAVQEKEI-CQSZACIVSA-N 2 2 374.416 3.265 20 5 FGBDLP COc1cc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000614741420 507639668 /nfs/dbraw/zinc/63/96/68/507639668.db2.gz ZGVHHIFAVQEKEI-CQSZACIVSA-N 2 2 374.416 3.265 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)nc2c1 ZINC000602533859 507740978 /nfs/dbraw/zinc/74/09/78/507740978.db2.gz PVBLGIFYGKRIPW-UHFFFAOYSA-N 2 2 358.442 3.480 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000787301679 725024059 /nfs/dbraw/zinc/02/40/59/725024059.db2.gz CNHJGEGKTMBQON-PBHICJAKSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000787301679 725024061 /nfs/dbraw/zinc/02/40/61/725024061.db2.gz CNHJGEGKTMBQON-PBHICJAKSA-N 2 2 369.893 3.475 20 5 FGBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006005 493811833 /nfs/dbraw/zinc/81/18/33/493811833.db2.gz OWHZKZRQRUDSPX-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006005 493811837 /nfs/dbraw/zinc/81/18/37/493811837.db2.gz OWHZKZRQRUDSPX-UHFFFAOYSA-N 2 2 354.454 3.129 20 5 FGBDLP C[NH+](C)Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032148571 493977416 /nfs/dbraw/zinc/97/74/16/493977416.db2.gz MOCOWVGJHDZNLC-UHFFFAOYSA-N 2 2 365.393 3.094 20 5 FGBDLP C[NH+]1CCC(CNc2ccc(F)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000078457510 494299589 /nfs/dbraw/zinc/29/95/89/494299589.db2.gz LMAOLFBQZVNSMJ-UHFFFAOYSA-N 2 2 350.438 3.096 20 5 FGBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123288904 495108673 /nfs/dbraw/zinc/10/86/73/495108673.db2.gz MIKVILIZOSCURG-UZLBHIALSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123288904 495108676 /nfs/dbraw/zinc/10/86/76/495108676.db2.gz MIKVILIZOSCURG-UZLBHIALSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283119 497263785 /nfs/dbraw/zinc/26/37/85/497263785.db2.gz IHTRTTDWSJVSET-FGTMMUONSA-N 2 2 360.502 3.146 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283119 497263787 /nfs/dbraw/zinc/26/37/87/497263787.db2.gz IHTRTTDWSJVSET-FGTMMUONSA-N 2 2 360.502 3.146 20 5 FGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000250283121 497264505 /nfs/dbraw/zinc/26/45/05/497264505.db2.gz IHTRTTDWSJVSET-KZNAEPCWSA-N 2 2 360.502 3.146 20 5 FGBDLP C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000245702323 497507764 /nfs/dbraw/zinc/50/77/64/497507764.db2.gz BOXZSXHKIUNZGH-SWLSCSKDSA-N 2 2 366.368 3.476 20 5 FGBDLP C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000245702323 497507767 /nfs/dbraw/zinc/50/77/67/497507767.db2.gz BOXZSXHKIUNZGH-SWLSCSKDSA-N 2 2 366.368 3.476 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC000276684064 497627949 /nfs/dbraw/zinc/62/79/49/497627949.db2.gz VJEUKGQXFOHGQU-UHFFFAOYSA-N 2 2 369.469 3.114 20 5 FGBDLP CCc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569407432 505926575 /nfs/dbraw/zinc/92/65/75/505926575.db2.gz XEBBGTGLENUSRL-LJQANCHMSA-N 2 2 354.410 3.405 20 5 FGBDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1cccnc1 ZINC000364676803 498084481 /nfs/dbraw/zinc/08/44/81/498084481.db2.gz YATHBCQSXRNQCU-KSSFIOAISA-N 2 2 360.845 3.426 20 5 FGBDLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1cccnc1 ZINC000364676803 498084487 /nfs/dbraw/zinc/08/44/87/498084487.db2.gz YATHBCQSXRNQCU-KSSFIOAISA-N 2 2 360.845 3.426 20 5 FGBDLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000332392599 498673749 /nfs/dbraw/zinc/67/37/49/498673749.db2.gz MUYRQZLWEKWKDB-KRWDZBQOSA-N 2 2 360.502 3.146 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000369594498 499424232 /nfs/dbraw/zinc/42/42/32/499424232.db2.gz ZDIGZOJCAICZJG-SCLBCKFNSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000369594498 499424233 /nfs/dbraw/zinc/42/42/33/499424233.db2.gz ZDIGZOJCAICZJG-SCLBCKFNSA-N 2 2 360.483 3.360 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000377947977 499750330 /nfs/dbraw/zinc/75/03/30/499750330.db2.gz IJABFBJUHYJWMD-URLQWDBASA-N 2 2 357.458 3.062 20 5 FGBDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000377947977 499750331 /nfs/dbraw/zinc/75/03/31/499750331.db2.gz IJABFBJUHYJWMD-URLQWDBASA-N 2 2 357.458 3.062 20 5 FGBDLP Cc1cc(NCc2cccnc2-n2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000377999016 499754377 /nfs/dbraw/zinc/75/43/77/499754377.db2.gz CGZQADHSWWYZAH-UHFFFAOYSA-N 2 2 360.377 3.066 20 5 FGBDLP C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H](C)[NH3+] ZINC000415018343 499855299 /nfs/dbraw/zinc/85/52/99/499855299.db2.gz QTKFWNDNTCPDOJ-VHSXEESVSA-N 2 2 368.231 3.443 20 5 FGBDLP COc1ccc([C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423013513 500330950 /nfs/dbraw/zinc/33/09/50/500330950.db2.gz NAERBFSMGXHOJX-PMACEKPBSA-N 2 2 355.438 3.229 20 5 FGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449085712 500921916 /nfs/dbraw/zinc/92/19/16/500921916.db2.gz AHQCZVJEUKPXIX-INIZCTEOSA-N 2 2 354.454 3.175 20 5 FGBDLP C[C@@H](C[NH3+])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435382301 500964499 /nfs/dbraw/zinc/96/44/99/500964499.db2.gz YOYJIJBUQHOXMW-HNNXBMFYSA-N 2 2 365.437 3.227 20 5 FGBDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435382301 500964501 /nfs/dbraw/zinc/96/45/01/500964501.db2.gz YOYJIJBUQHOXMW-HNNXBMFYSA-N 2 2 365.437 3.227 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602665362 506251300 /nfs/dbraw/zinc/25/13/00/506251300.db2.gz HPNIKMNRGAPOJO-GFCCVEGCSA-N 2 2 354.332 3.337 20 5 FGBDLP C[N@@H+]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccccc2)C1 ZINC000602694684 506264552 /nfs/dbraw/zinc/26/45/52/506264552.db2.gz BETAWHYHEWLMGC-WBVHZDCISA-N 2 2 366.421 3.171 20 5 FGBDLP C[N@H+]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccccc2)C1 ZINC000602694684 506264553 /nfs/dbraw/zinc/26/45/53/506264553.db2.gz BETAWHYHEWLMGC-WBVHZDCISA-N 2 2 366.421 3.171 20 5 FGBDLP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596138148 506275613 /nfs/dbraw/zinc/27/56/13/506275613.db2.gz GIDYVAIMTUXQCO-UHFFFAOYSA-N 2 2 352.504 3.327 20 5 FGBDLP C[NH+](C)CCCOC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599056225 506298579 /nfs/dbraw/zinc/29/85/79/506298579.db2.gz TVZCHDRYYZXDTR-UHFFFAOYSA-N 2 2 358.442 3.080 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599065119 506306624 /nfs/dbraw/zinc/30/66/24/506306624.db2.gz OJFMHDWNKJLGTC-DNVCBOLYSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599065119 506306632 /nfs/dbraw/zinc/30/66/32/506306632.db2.gz OJFMHDWNKJLGTC-DNVCBOLYSA-N 2 2 374.485 3.309 20 5 FGBDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509659252 502960123 /nfs/dbraw/zinc/96/01/23/502960123.db2.gz VYSIIDHMLJLZRW-UHFFFAOYSA-N 2 2 350.369 3.061 20 5 FGBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503403214 503401810 /nfs/dbraw/zinc/40/18/10/503401810.db2.gz CUZTXAITJHOEAV-MRXNPFEDSA-N 2 2 370.453 3.386 20 5 FGBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503403214 503401813 /nfs/dbraw/zinc/40/18/13/503401813.db2.gz CUZTXAITJHOEAV-MRXNPFEDSA-N 2 2 370.453 3.386 20 5 FGBDLP CC(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196098 506479448 /nfs/dbraw/zinc/47/94/48/506479448.db2.gz WXTFDXRRPQFWTM-IBGZPJMESA-N 2 2 374.529 3.319 20 5 FGBDLP CC(C)c1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196098 506479455 /nfs/dbraw/zinc/47/94/55/506479455.db2.gz WXTFDXRRPQFWTM-IBGZPJMESA-N 2 2 374.529 3.319 20 5 FGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000594993854 507345386 /nfs/dbraw/zinc/34/53/86/507345386.db2.gz RXXSHTDQCQXTQT-INIZCTEOSA-N 2 2 371.437 3.198 20 5 FGBDLP CC[NH+](CC)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132187 507497017 /nfs/dbraw/zinc/49/70/17/507497017.db2.gz ALPNRTISUZKFAC-WGSAOQKQSA-N 2 2 363.502 3.432 20 5 FGBDLP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132187 507497020 /nfs/dbraw/zinc/49/70/20/507497020.db2.gz ALPNRTISUZKFAC-WGSAOQKQSA-N 2 2 363.502 3.432 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000804398507 724511656 /nfs/dbraw/zinc/51/16/56/724511656.db2.gz ZUFQYMCQEHVERM-UHFFFAOYSA-N 2 2 352.866 3.219 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1Br ZINC000843043839 730573203 /nfs/dbraw/zinc/57/32/03/730573203.db2.gz KNKYTUPPHMWGFI-UHFFFAOYSA-N 2 2 354.248 3.074 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1Br ZINC000843043839 730573205 /nfs/dbraw/zinc/57/32/05/730573205.db2.gz KNKYTUPPHMWGFI-UHFFFAOYSA-N 2 2 354.248 3.074 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC000051322995 493961793 /nfs/dbraw/zinc/96/17/93/493961793.db2.gz JUJYZNKZXRBFHR-KRWDZBQOSA-N 2 2 368.437 3.054 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC000051322995 493961797 /nfs/dbraw/zinc/96/17/97/493961797.db2.gz JUJYZNKZXRBFHR-KRWDZBQOSA-N 2 2 368.437 3.054 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)co2)cc1 ZINC000089910321 494398598 /nfs/dbraw/zinc/39/85/98/494398598.db2.gz XKQWDBKEWOXERU-GOSISDBHSA-N 2 2 366.377 3.298 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)co2)cc1 ZINC000089910321 494398602 /nfs/dbraw/zinc/39/86/02/494398602.db2.gz XKQWDBKEWOXERU-GOSISDBHSA-N 2 2 366.377 3.298 20 5 FGBDLP Cc1c(NC(=O)CC[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000174228295 495872795 /nfs/dbraw/zinc/87/27/95/495872795.db2.gz VBFJGSULMZKZEC-SJORKVTESA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1c(NC(=O)CC[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000174228295 495872800 /nfs/dbraw/zinc/87/28/00/495872800.db2.gz VBFJGSULMZKZEC-SJORKVTESA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)cccc1[N+](=O)[O-] ZINC000174228295 495872805 /nfs/dbraw/zinc/87/28/05/495872805.db2.gz VBFJGSULMZKZEC-SJORKVTESA-N 2 2 374.485 3.179 20 5 FGBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)cccc1[N+](=O)[O-] ZINC000174228295 495872809 /nfs/dbraw/zinc/87/28/09/495872809.db2.gz VBFJGSULMZKZEC-SJORKVTESA-N 2 2 374.485 3.179 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000252652952 497315347 /nfs/dbraw/zinc/31/53/47/497315347.db2.gz RGXLBYSZGOYWOS-UNEWFSDZSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000252652952 497315350 /nfs/dbraw/zinc/31/53/50/497315350.db2.gz RGXLBYSZGOYWOS-UNEWFSDZSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000252652952 497315353 /nfs/dbraw/zinc/31/53/53/497315353.db2.gz RGXLBYSZGOYWOS-UNEWFSDZSA-N 2 2 371.441 3.122 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000252652952 497315357 /nfs/dbraw/zinc/31/53/57/497315357.db2.gz RGXLBYSZGOYWOS-UNEWFSDZSA-N 2 2 371.441 3.122 20 5 FGBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245448208 497413358 /nfs/dbraw/zinc/41/33/58/497413358.db2.gz MSEBZYHWEJZROW-CABCVRRESA-N 2 2 373.457 3.370 20 5 FGBDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245448208 497413362 /nfs/dbraw/zinc/41/33/62/497413362.db2.gz MSEBZYHWEJZROW-CABCVRRESA-N 2 2 373.457 3.370 20 5 FGBDLP C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000276352786 497552004 /nfs/dbraw/zinc/55/20/04/497552004.db2.gz WWDSEYRPJCPRJX-UHFFFAOYSA-N 2 2 372.444 3.268 20 5 FGBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000276352786 497552006 /nfs/dbraw/zinc/55/20/06/497552006.db2.gz WWDSEYRPJCPRJX-UHFFFAOYSA-N 2 2 372.444 3.268 20 5 FGBDLP Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000276979136 497705867 /nfs/dbraw/zinc/70/58/67/497705867.db2.gz FLCNDHHZZSESNA-INIZCTEOSA-N 2 2 355.442 3.281 20 5 FGBDLP Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301850996 498293553 /nfs/dbraw/zinc/29/35/53/498293553.db2.gz PGRRCLMOQVUNKT-ZDUSSCGKSA-N 2 2 352.398 3.305 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365810245 498649736 /nfs/dbraw/zinc/64/97/36/498649736.db2.gz ABDRLJYDIIGHFR-MRXNPFEDSA-N 2 2 373.413 3.488 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365810245 498649738 /nfs/dbraw/zinc/64/97/38/498649738.db2.gz ABDRLJYDIIGHFR-MRXNPFEDSA-N 2 2 373.413 3.488 20 5 FGBDLP COc1cc(C[NH2+]C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414790116 499831237 /nfs/dbraw/zinc/83/12/37/499831237.db2.gz OWEMUIZSRWGHLH-UHFFFAOYSA-N 2 2 371.437 3.024 20 5 FGBDLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414877072 499840438 /nfs/dbraw/zinc/84/04/38/499840438.db2.gz FLJNWGCDMBZCOD-MOPGFXCFSA-N 2 2 355.438 3.147 20 5 FGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423496892 500379436 /nfs/dbraw/zinc/37/94/36/500379436.db2.gz FSQVOFYRNSXFMT-KUHUBIRLSA-N 2 2 370.453 3.164 20 5 FGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000449212496 500949230 /nfs/dbraw/zinc/94/92/30/500949230.db2.gz SYKDOUJZRAXDQN-MAUKXSAKSA-N 2 2 369.469 3.173 20 5 FGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000449212498 500949257 /nfs/dbraw/zinc/94/92/57/500949257.db2.gz SYKDOUJZRAXDQN-YJBOKZPZSA-N 2 2 369.469 3.173 20 5 FGBDLP COc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435372868 500961133 /nfs/dbraw/zinc/96/11/33/500961133.db2.gz LFHQIFDURNWVNH-SFHVURJKSA-N 2 2 371.437 3.106 20 5 FGBDLP COc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435372868 500961137 /nfs/dbraw/zinc/96/11/37/500961137.db2.gz LFHQIFDURNWVNH-SFHVURJKSA-N 2 2 371.437 3.106 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435373405 500962312 /nfs/dbraw/zinc/96/23/12/500962312.db2.gz NGORBSAWVRYYEA-SFHVURJKSA-N 2 2 371.437 3.106 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435373405 500962314 /nfs/dbraw/zinc/96/23/14/500962314.db2.gz NGORBSAWVRYYEA-SFHVURJKSA-N 2 2 371.437 3.106 20 5 FGBDLP O=[N+]([O-])c1c(NCC2CC[NH+](C3CCOCC3)CC2)ccc2c[nH+]ccc21 ZINC000599099511 506322752 /nfs/dbraw/zinc/32/27/52/506322752.db2.gz YDTKXQWCESGGRW-UHFFFAOYSA-N 2 2 370.453 3.446 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000470174530 502695126 /nfs/dbraw/zinc/69/51/26/502695126.db2.gz LVFROBFXRVDRHA-NWNNTGRJSA-N 2 2 359.470 3.183 20 5 FGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000470174530 502695129 /nfs/dbraw/zinc/69/51/29/502695129.db2.gz LVFROBFXRVDRHA-NWNNTGRJSA-N 2 2 359.470 3.183 20 5 FGBDLP Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489237282 502907991 /nfs/dbraw/zinc/90/79/91/502907991.db2.gz ZOSPIXQNOCQIBF-OAHLLOKOSA-N 2 2 369.469 3.316 20 5 FGBDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000509005640 503617626 /nfs/dbraw/zinc/61/76/26/503617626.db2.gz DTLDJXJLLVAWQA-SFHVURJKSA-N 2 2 368.481 3.458 20 5 FGBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108058 504041718 /nfs/dbraw/zinc/04/17/18/504041718.db2.gz LKOPMTCXHLXKRO-INIZCTEOSA-N 2 2 370.453 3.414 20 5 FGBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108058 504041726 /nfs/dbraw/zinc/04/17/26/504041726.db2.gz LKOPMTCXHLXKRO-INIZCTEOSA-N 2 2 370.453 3.414 20 5 FGBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108058 504041731 /nfs/dbraw/zinc/04/17/31/504041731.db2.gz LKOPMTCXHLXKRO-INIZCTEOSA-N 2 2 370.453 3.414 20 5 FGBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108058 504041738 /nfs/dbraw/zinc/04/17/38/504041738.db2.gz LKOPMTCXHLXKRO-INIZCTEOSA-N 2 2 370.453 3.414 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000595046247 507366538 /nfs/dbraw/zinc/36/65/38/507366538.db2.gz ONGJAOXGKVEJMU-CQSZACIVSA-N 2 2 354.410 3.453 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000595081952 507384250 /nfs/dbraw/zinc/38/42/50/507384250.db2.gz UUYALENNEADZOV-BPQIPLTHSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000595081952 507384258 /nfs/dbraw/zinc/38/42/58/507384258.db2.gz UUYALENNEADZOV-BPQIPLTHSA-N 2 2 361.490 3.272 20 5 FGBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844667 505633838 /nfs/dbraw/zinc/63/38/38/505633838.db2.gz BOIDBNHHWHTXOO-DYVFJYSZSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844667 505633841 /nfs/dbraw/zinc/63/38/41/505633841.db2.gz BOIDBNHHWHTXOO-DYVFJYSZSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844667 505633843 /nfs/dbraw/zinc/63/38/43/505633843.db2.gz BOIDBNHHWHTXOO-DYVFJYSZSA-N 2 2 360.483 3.490 20 5 FGBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844667 505633845 /nfs/dbraw/zinc/63/38/45/505633845.db2.gz BOIDBNHHWHTXOO-DYVFJYSZSA-N 2 2 360.483 3.490 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000050954363 493939718 /nfs/dbraw/zinc/93/97/18/493939718.db2.gz CCBNMMFOHFDBDG-UHFFFAOYSA-N 2 2 352.866 3.219 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000089903600 494396851 /nfs/dbraw/zinc/39/68/51/494396851.db2.gz HQRFJNZJTBNQCH-HNNXBMFYSA-N 2 2 356.426 3.168 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000089903600 494396856 /nfs/dbraw/zinc/39/68/56/494396856.db2.gz HQRFJNZJTBNQCH-HNNXBMFYSA-N 2 2 356.426 3.168 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247673551 496904340 /nfs/dbraw/zinc/90/43/40/496904340.db2.gz RCEADRFZMLARSF-YJBOKZPZSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247673551 496904346 /nfs/dbraw/zinc/90/43/46/496904346.db2.gz RCEADRFZMLARSF-YJBOKZPZSA-N 2 2 371.441 3.011 20 5 FGBDLP C[C@@H]1C[NH+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000247886203 496924928 /nfs/dbraw/zinc/92/49/28/496924928.db2.gz DBDYFQLZGDKHRH-GPMSIDNRSA-N 2 2 361.486 3.005 20 5 FGBDLP C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000362197646 498474723 /nfs/dbraw/zinc/47/47/23/498474723.db2.gz HMQFWWZKSRDQPO-UHFFFAOYSA-N 2 2 367.877 3.323 20 5 FGBDLP C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000362197646 498474733 /nfs/dbraw/zinc/47/47/33/498474733.db2.gz HMQFWWZKSRDQPO-UHFFFAOYSA-N 2 2 367.877 3.323 20 5 FGBDLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000414944623 499847296 /nfs/dbraw/zinc/84/72/96/499847296.db2.gz HEBWAFSIZKIROM-YJBOKZPZSA-N 2 2 361.392 3.417 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000419675486 500389095 /nfs/dbraw/zinc/38/90/95/500389095.db2.gz AGBUTDVBXCKFQA-UHFFFAOYSA-N 2 2 360.845 3.397 20 5 FGBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000432346287 500502110 /nfs/dbraw/zinc/50/21/10/500502110.db2.gz KQJULGPRCNMQNK-MRXNPFEDSA-N 2 2 373.453 3.445 20 5 FGBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000432346287 500502113 /nfs/dbraw/zinc/50/21/13/500502113.db2.gz KQJULGPRCNMQNK-MRXNPFEDSA-N 2 2 373.453 3.445 20 5 FGBDLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447511983 500614640 /nfs/dbraw/zinc/61/46/40/500614640.db2.gz WICNRARMVVZDTI-FHWLQOOXSA-N 2 2 371.485 3.038 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000447545639 500621515 /nfs/dbraw/zinc/62/15/15/500621515.db2.gz SBEPNJCPYUJQKW-RCCFBDPRSA-N 2 2 361.490 3.129 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000447545639 500621519 /nfs/dbraw/zinc/62/15/19/500621519.db2.gz SBEPNJCPYUJQKW-RCCFBDPRSA-N 2 2 361.490 3.129 20 5 FGBDLP Cc1ncsc1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000435427828 500973441 /nfs/dbraw/zinc/97/34/41/500973441.db2.gz NMTFYGJBUVQFLV-NBUZRDOWSA-N 2 2 372.494 3.485 20 5 FGBDLP Cc1ncsc1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000435427828 500973443 /nfs/dbraw/zinc/97/34/43/500973443.db2.gz NMTFYGJBUVQFLV-NBUZRDOWSA-N 2 2 372.494 3.485 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596058721 506233230 /nfs/dbraw/zinc/23/32/30/506233230.db2.gz IMJLAGPXOWWVME-AWEZNQCLSA-N 2 2 369.412 3.408 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596058721 506233238 /nfs/dbraw/zinc/23/32/38/506233238.db2.gz IMJLAGPXOWWVME-AWEZNQCLSA-N 2 2 369.412 3.408 20 5 FGBDLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000471011243 501891647 /nfs/dbraw/zinc/89/16/47/501891647.db2.gz IRIFSNXYUFVZGI-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000471011243 501891654 /nfs/dbraw/zinc/89/16/54/501891654.db2.gz IRIFSNXYUFVZGI-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000471011243 501891659 /nfs/dbraw/zinc/89/16/59/501891659.db2.gz IRIFSNXYUFVZGI-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000471011243 501891667 /nfs/dbraw/zinc/89/16/67/501891667.db2.gz IRIFSNXYUFVZGI-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468651654 502135555 /nfs/dbraw/zinc/13/55/55/502135555.db2.gz MHVWCRURDSTNFS-VKAVYKQESA-N 3 2 372.513 3.146 20 5 FGBDLP [NH3+]CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000466978672 502745013 /nfs/dbraw/zinc/74/50/13/502745013.db2.gz HMHRSJWHMHIEDE-UHFFFAOYSA-N 2 2 366.421 3.253 20 5 FGBDLP [NH3+]CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000466978672 502745016 /nfs/dbraw/zinc/74/50/16/502745016.db2.gz HMHRSJWHMHIEDE-UHFFFAOYSA-N 2 2 366.421 3.253 20 5 FGBDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000540756957 503880695 /nfs/dbraw/zinc/88/06/95/503880695.db2.gz BMIXMWGCQKTXMK-KBXCAEBGSA-N 2 2 355.442 3.303 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)o2)c1 ZINC000565046865 504780664 /nfs/dbraw/zinc/78/06/64/504780664.db2.gz WAFBBUXQAIBOLF-ZWKOTPCHSA-N 2 2 370.453 3.399 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)o2)c1 ZINC000565046865 504780668 /nfs/dbraw/zinc/78/06/68/504780668.db2.gz WAFBBUXQAIBOLF-ZWKOTPCHSA-N 2 2 370.453 3.399 20 5 FGBDLP CCC[N@H+](CC)C[C@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000555005417 505326235 /nfs/dbraw/zinc/32/62/35/505326235.db2.gz NSGIWATYQWREQF-YJBOKZPZSA-N 2 2 359.474 3.128 20 5 FGBDLP CCC[N@@H+](CC)C[C@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000555005417 505326238 /nfs/dbraw/zinc/32/62/38/505326238.db2.gz NSGIWATYQWREQF-YJBOKZPZSA-N 2 2 359.474 3.128 20 5 FGBDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872028725 735579069 /nfs/dbraw/zinc/57/90/69/735579069.db2.gz SLGLIIWJOJUBSI-ZDUSSCGKSA-N 2 2 353.488 3.078 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000092072016 494778517 /nfs/dbraw/zinc/77/85/17/494778517.db2.gz KIAUOJNQRXRSKX-LBPRGKRZSA-N 2 2 365.231 3.460 20 5 FGBDLP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000092072016 494778522 /nfs/dbraw/zinc/77/85/22/494778522.db2.gz KIAUOJNQRXRSKX-LBPRGKRZSA-N 2 2 365.231 3.460 20 5 FGBDLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792195 495949759 /nfs/dbraw/zinc/94/97/59/495949759.db2.gz LAGRPFCNAWRBHM-RTWAWAEBSA-N 2 2 369.465 3.055 20 5 FGBDLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792195 495949767 /nfs/dbraw/zinc/94/97/67/495949767.db2.gz LAGRPFCNAWRBHM-RTWAWAEBSA-N 2 2 369.465 3.055 20 5 FGBDLP C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cn1cc[nH+]c1 ZINC000172116631 496172319 /nfs/dbraw/zinc/17/23/19/496172319.db2.gz YYDPKFLFZSVXJX-ZDUSSCGKSA-N 2 2 357.439 3.341 20 5 FGBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301520996 498145264 /nfs/dbraw/zinc/14/52/64/498145264.db2.gz GVFJIVUIIYETHJ-UHFFFAOYSA-N 2 2 360.380 3.052 20 5 FGBDLP Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833376 498284863 /nfs/dbraw/zinc/28/48/63/498284863.db2.gz SCEDEBRVUKMZCI-CXAGYDPISA-N 2 2 355.442 3.137 20 5 FGBDLP Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833376 498284869 /nfs/dbraw/zinc/28/48/69/498284869.db2.gz SCEDEBRVUKMZCI-CXAGYDPISA-N 2 2 355.442 3.137 20 5 FGBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000361246003 498364856 /nfs/dbraw/zinc/36/48/56/498364856.db2.gz KSRZCXMCDKDASP-LPHOPBHVSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000361246003 498364862 /nfs/dbraw/zinc/36/48/62/498364862.db2.gz KSRZCXMCDKDASP-LPHOPBHVSA-N 2 2 354.454 3.033 20 5 FGBDLP Cc1cccc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000370529707 499229239 /nfs/dbraw/zinc/22/92/39/499229239.db2.gz WHFWIOLVBFEJEN-UHFFFAOYSA-N 2 2 371.397 3.283 20 5 FGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370706730 499246408 /nfs/dbraw/zinc/24/64/08/499246408.db2.gz CJCVAYLPENQUDD-YLJYHZDGSA-N 2 2 374.529 3.176 20 5 FGBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370706730 499246410 /nfs/dbraw/zinc/24/64/10/499246410.db2.gz CJCVAYLPENQUDD-YLJYHZDGSA-N 2 2 374.529 3.176 20 5 FGBDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000376965542 499649934 /nfs/dbraw/zinc/64/99/34/499649934.db2.gz ADKNDDIBLVLDQS-YJBOKZPZSA-N 2 2 360.845 3.426 20 5 FGBDLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000376965542 499649936 /nfs/dbraw/zinc/64/99/36/499649936.db2.gz ADKNDDIBLVLDQS-YJBOKZPZSA-N 2 2 360.845 3.426 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377261562 499674987 /nfs/dbraw/zinc/67/49/87/499674987.db2.gz JUTOEAXCJTZVDX-OAHLLOKOSA-N 2 2 367.409 3.363 20 5 FGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377261562 499674989 /nfs/dbraw/zinc/67/49/89/499674989.db2.gz JUTOEAXCJTZVDX-OAHLLOKOSA-N 2 2 367.409 3.363 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000377785969 499733292 /nfs/dbraw/zinc/73/32/92/499733292.db2.gz GSINDTURGUSNSO-FZKQIMNGSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000377785969 499733294 /nfs/dbraw/zinc/73/32/94/499733294.db2.gz GSINDTURGUSNSO-FZKQIMNGSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CCC2 ZINC000377831215 499740177 /nfs/dbraw/zinc/74/01/77/499740177.db2.gz KTUDHFBYKPEIRH-GFCCVEGCSA-N 2 2 366.368 3.368 20 5 FGBDLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C[NH3+])C1 ZINC000435372331 500961236 /nfs/dbraw/zinc/96/12/36/500961236.db2.gz RFKJYDARAGXQJG-JKSUJKDBSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C[NH3+])C1 ZINC000435372331 500961240 /nfs/dbraw/zinc/96/12/40/500961240.db2.gz RFKJYDARAGXQJG-JKSUJKDBSA-N 2 2 361.467 3.261 20 5 FGBDLP C[C@@H]1C[N@@H+](CCCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599062422 506302993 /nfs/dbraw/zinc/30/29/93/506302993.db2.gz PUNDMJZPFNTMKQ-GASCZTMLSA-N 2 2 358.442 3.444 20 5 FGBDLP C[C@@H]1C[N@H+](CCCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599062422 506302996 /nfs/dbraw/zinc/30/29/96/506302996.db2.gz PUNDMJZPFNTMKQ-GASCZTMLSA-N 2 2 358.442 3.444 20 5 FGBDLP CCC(CC)[C@@H](CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000552038098 505377846 /nfs/dbraw/zinc/37/78/46/505377846.db2.gz NPCFGWYHXPZWPE-RTBURBONSA-N 2 2 373.501 3.374 20 5 FGBDLP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000562093362 505516738 /nfs/dbraw/zinc/51/67/38/505516738.db2.gz XQWFUMXVDNAHNT-QAPCUYQASA-N 2 2 359.474 3.128 20 5 FGBDLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000562093362 505516744 /nfs/dbraw/zinc/51/67/44/505516744.db2.gz XQWFUMXVDNAHNT-QAPCUYQASA-N 2 2 359.474 3.128 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157786 506798119 /nfs/dbraw/zinc/79/81/19/506798119.db2.gz WXGIPMSGGVVNKN-XJKSGUPXSA-N 2 2 368.397 3.239 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157786 506798126 /nfs/dbraw/zinc/79/81/26/506798126.db2.gz WXGIPMSGGVVNKN-XJKSGUPXSA-N 2 2 368.397 3.239 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000595005634 507350859 /nfs/dbraw/zinc/35/08/59/507350859.db2.gz BVBYOPBQBNNUJV-AWEZNQCLSA-N 2 2 356.426 3.318 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591843155 507387581 /nfs/dbraw/zinc/38/75/81/507387581.db2.gz BVTCAYZBUUJVKE-CQSZACIVSA-N 2 2 365.231 3.391 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591843155 507387589 /nfs/dbraw/zinc/38/75/89/507387589.db2.gz BVTCAYZBUUJVKE-CQSZACIVSA-N 2 2 365.231 3.391 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595102140 507393695 /nfs/dbraw/zinc/39/36/95/507393695.db2.gz KECYWLKRAZBHIQ-DBVUQKKJSA-N 2 2 373.497 3.149 20 5 FGBDLP COc1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1[N+](=O)[O-] ZINC000614741404 507639818 /nfs/dbraw/zinc/63/98/18/507639818.db2.gz ZFQJGPOOZFADJA-HNNXBMFYSA-N 2 2 356.426 3.126 20 5 FGBDLP COc1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1[N+](=O)[O-] ZINC000614741404 507639833 /nfs/dbraw/zinc/63/98/33/507639833.db2.gz ZFQJGPOOZFADJA-HNNXBMFYSA-N 2 2 356.426 3.126 20 5 FGBDLP COc1cc(C[N@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000592433771 507656029 /nfs/dbraw/zinc/65/60/29/507656029.db2.gz UWNWNZCODNLKON-UHFFFAOYSA-N 2 2 371.437 3.104 20 5 FGBDLP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000592433771 507656035 /nfs/dbraw/zinc/65/60/35/507656035.db2.gz UWNWNZCODNLKON-UHFFFAOYSA-N 2 2 371.437 3.104 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Br ZINC000602518793 507734921 /nfs/dbraw/zinc/73/49/21/507734921.db2.gz SIFIZSPRWFILRN-UHFFFAOYSA-N 2 2 374.304 3.383 20 5 FGBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090106013 494442698 /nfs/dbraw/zinc/44/26/98/494442698.db2.gz WAHQYXIKVCYUED-UHFFFAOYSA-N 2 2 369.469 3.095 20 5 FGBDLP Cc1c(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000134691238 495187967 /nfs/dbraw/zinc/18/79/67/495187967.db2.gz KNTBEVIROIKETK-HNNXBMFYSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1c(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000134691238 495187971 /nfs/dbraw/zinc/18/79/71/495187971.db2.gz KNTBEVIROIKETK-HNNXBMFYSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247673549 496904429 /nfs/dbraw/zinc/90/44/29/496904429.db2.gz RCEADRFZMLARSF-QAPCUYQASA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247673549 496904434 /nfs/dbraw/zinc/90/44/34/496904434.db2.gz RCEADRFZMLARSF-QAPCUYQASA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357222 497087867 /nfs/dbraw/zinc/08/78/67/497087867.db2.gz XXVHZBDQKXNNSU-FQEVSTJZSA-N 2 2 369.465 3.284 20 5 FGBDLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357222 497087870 /nfs/dbraw/zinc/08/78/70/497087870.db2.gz XXVHZBDQKXNNSU-FQEVSTJZSA-N 2 2 369.465 3.284 20 5 FGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416505 497395020 /nfs/dbraw/zinc/39/50/20/497395020.db2.gz FGPRTIXANPXPER-CABCVRRESA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416505 497395024 /nfs/dbraw/zinc/39/50/24/497395024.db2.gz FGPRTIXANPXPER-CABCVRRESA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416505 497395027 /nfs/dbraw/zinc/39/50/27/497395027.db2.gz FGPRTIXANPXPER-CABCVRRESA-N 2 2 373.457 3.370 20 5 FGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245416505 497395031 /nfs/dbraw/zinc/39/50/31/497395031.db2.gz FGPRTIXANPXPER-CABCVRRESA-N 2 2 373.457 3.370 20 5 FGBDLP Cc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292701680 498114834 /nfs/dbraw/zinc/11/48/34/498114834.db2.gz SBCBOAXOSHCUII-UHFFFAOYSA-N 2 2 350.438 3.013 20 5 FGBDLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000332392601 498673377 /nfs/dbraw/zinc/67/33/77/498673377.db2.gz MUYRQZLWEKWKDB-QGZVFWFLSA-N 2 2 360.502 3.146 20 5 FGBDLP COc1ccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406047644 499572154 /nfs/dbraw/zinc/57/21/54/499572154.db2.gz WNZRLYOVPVVRKT-HXUWFJFHSA-N 2 2 355.438 3.358 20 5 FGBDLP COc1ccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406047644 499572155 /nfs/dbraw/zinc/57/21/55/499572155.db2.gz WNZRLYOVPVVRKT-HXUWFJFHSA-N 2 2 355.438 3.358 20 5 FGBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000377785973 499733277 /nfs/dbraw/zinc/73/32/77/499733277.db2.gz GSINDTURGUSNSO-SCLBCKFNSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000377785973 499733278 /nfs/dbraw/zinc/73/32/78/499733278.db2.gz GSINDTURGUSNSO-SCLBCKFNSA-N 2 2 360.483 3.360 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377926760 499748592 /nfs/dbraw/zinc/74/85/92/499748592.db2.gz YIMMYRIQYQSIIL-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377926760 499748594 /nfs/dbraw/zinc/74/85/94/499748594.db2.gz YIMMYRIQYQSIIL-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414877081 499840513 /nfs/dbraw/zinc/84/05/13/499840513.db2.gz FLJNWGCDMBZCOD-RTBURBONSA-N 2 2 355.438 3.147 20 5 FGBDLP C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000425426268 500102533 /nfs/dbraw/zinc/10/25/33/500102533.db2.gz ZYMHYQRDRFAYLI-LBPRGKRZSA-N 2 2 356.264 3.131 20 5 FGBDLP C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000425426268 500102538 /nfs/dbraw/zinc/10/25/38/500102538.db2.gz ZYMHYQRDRFAYLI-LBPRGKRZSA-N 2 2 356.264 3.131 20 5 FGBDLP C[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000425426268 500102541 /nfs/dbraw/zinc/10/25/41/500102541.db2.gz ZYMHYQRDRFAYLI-LBPRGKRZSA-N 2 2 356.264 3.131 20 5 FGBDLP C[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000425426268 500102545 /nfs/dbraw/zinc/10/25/45/500102545.db2.gz ZYMHYQRDRFAYLI-LBPRGKRZSA-N 2 2 356.264 3.131 20 5 FGBDLP COc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422744744 500293398 /nfs/dbraw/zinc/29/33/98/500293398.db2.gz UCRFMDYSSOOCFO-VQTJNVASSA-N 2 2 355.438 3.229 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423277803 500361213 /nfs/dbraw/zinc/36/12/13/500361213.db2.gz OXOAAGBYKOWJGN-IBGZPJMESA-N 2 2 371.485 3.320 20 5 FGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423494759 500379086 /nfs/dbraw/zinc/37/90/86/500379086.db2.gz BAEHYQPVRNDDFT-FGTMMUONSA-N 2 2 357.458 3.127 20 5 FGBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137191 500633073 /nfs/dbraw/zinc/63/30/73/500633073.db2.gz SFGHXZJMEVMHER-APWZRJJASA-N 2 2 361.486 3.264 20 5 FGBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137191 500633074 /nfs/dbraw/zinc/63/30/74/500633074.db2.gz SFGHXZJMEVMHER-APWZRJJASA-N 2 2 361.486 3.264 20 5 FGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000504894016 502820323 /nfs/dbraw/zinc/82/03/23/502820323.db2.gz JFYMZRIZNMWXRP-RHSMWYFYSA-N 2 2 369.556 3.492 20 5 FGBDLP Cc1cc(NCc2ccc[nH+]c2N2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596355507 506370025 /nfs/dbraw/zinc/37/00/25/506370025.db2.gz CDLDTDRBUPRUBR-UHFFFAOYSA-N 2 2 363.421 3.481 20 5 FGBDLP Cc1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000542700545 504580737 /nfs/dbraw/zinc/58/07/37/504580737.db2.gz QXYFIBSIBCHNSR-UHFFFAOYSA-N 2 2 369.469 3.447 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+][C@H](C)Cn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000520952106 504615418 /nfs/dbraw/zinc/61/54/18/504615418.db2.gz DTDJQKFDRRUXDH-CYBMUJFWSA-N 2 2 356.382 3.238 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521013184 504630213 /nfs/dbraw/zinc/63/02/13/504630213.db2.gz RVRMBVZTRPJLJG-IBGZPJMESA-N 2 2 371.485 3.272 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521013184 504630217 /nfs/dbraw/zinc/63/02/17/504630217.db2.gz RVRMBVZTRPJLJG-IBGZPJMESA-N 2 2 371.485 3.272 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000539713190 504662588 /nfs/dbraw/zinc/66/25/88/504662588.db2.gz WABAZUDHANSLET-UHFFFAOYSA-N 2 2 359.426 3.439 20 5 FGBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000566500867 505190841 /nfs/dbraw/zinc/19/08/41/505190841.db2.gz MMXHDXMYEGYCDP-HZPDHXFCSA-N 2 2 362.474 3.022 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199308 506481525 /nfs/dbraw/zinc/48/15/25/506481525.db2.gz BBOBYDFDGRJESU-UHFFFAOYSA-N 2 2 374.441 3.037 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199308 506481530 /nfs/dbraw/zinc/48/15/30/506481530.db2.gz BBOBYDFDGRJESU-UHFFFAOYSA-N 2 2 374.441 3.037 20 5 FGBDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000590594412 506872405 /nfs/dbraw/zinc/87/24/05/506872405.db2.gz QTWLALIWORWDGE-MRXNPFEDSA-N 2 2 354.454 3.348 20 5 FGBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4c3cccc4[N+](=O)[O-])[nH+]c2)C1 ZINC000584361150 507302863 /nfs/dbraw/zinc/30/28/63/507302863.db2.gz DUFXEWKBSMQDBI-YJBOKZPZSA-N 2 2 367.453 3.230 20 5 FGBDLP O=C(CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Nc1ccccc1[N+](=O)[O-] ZINC000584465183 507361292 /nfs/dbraw/zinc/36/12/92/507361292.db2.gz WMNSGFNNUNLEDK-UHFFFAOYSA-N 2 2 367.409 3.022 20 5 FGBDLP Cc1noc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000595387526 507479384 /nfs/dbraw/zinc/47/93/84/507479384.db2.gz CVXUVAXAYDMOQI-CQSZACIVSA-N 2 2 355.398 3.214 20 5 FGBDLP Cc1noc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000595387526 507479389 /nfs/dbraw/zinc/47/93/89/507479389.db2.gz CVXUVAXAYDMOQI-CQSZACIVSA-N 2 2 355.398 3.214 20 5 FGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278579757 257375084 /nfs/dbraw/zinc/37/50/84/257375084.db2.gz CXKTWXRLXSITOT-UHFFFAOYSA-N 2 2 372.381 3.250 20 5 FGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909994 494398869 /nfs/dbraw/zinc/39/88/69/494398869.db2.gz FGFLXUMJFZYBQV-QAPCUYQASA-N 2 2 356.426 3.166 20 5 FGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909994 494398873 /nfs/dbraw/zinc/39/88/73/494398873.db2.gz FGFLXUMJFZYBQV-QAPCUYQASA-N 2 2 356.426 3.166 20 5 FGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909994 494398878 /nfs/dbraw/zinc/39/88/78/494398878.db2.gz FGFLXUMJFZYBQV-QAPCUYQASA-N 2 2 356.426 3.166 20 5 FGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909994 494398879 /nfs/dbraw/zinc/39/88/79/494398879.db2.gz FGFLXUMJFZYBQV-QAPCUYQASA-N 2 2 356.426 3.166 20 5 FGBDLP Cc1ccc([C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000568620122 505738219 /nfs/dbraw/zinc/73/82/19/505738219.db2.gz CJRGHMYAFLCCRI-IBGZPJMESA-N 2 2 370.453 3.124 20 5 FGBDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978964 495215317 /nfs/dbraw/zinc/21/53/17/495215317.db2.gz WDOHJDCGFMMXFA-YPMHNXCESA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978964 495215322 /nfs/dbraw/zinc/21/53/22/495215322.db2.gz WDOHJDCGFMMXFA-YPMHNXCESA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978964 495215324 /nfs/dbraw/zinc/21/53/24/495215324.db2.gz WDOHJDCGFMMXFA-YPMHNXCESA-N 2 2 373.400 3.119 20 5 FGBDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978964 495215328 /nfs/dbraw/zinc/21/53/28/495215328.db2.gz WDOHJDCGFMMXFA-YPMHNXCESA-N 2 2 373.400 3.119 20 5 FGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000569030228 505833026 /nfs/dbraw/zinc/83/30/26/505833026.db2.gz XHYHFRBTHPUFQO-UHFFFAOYSA-N 2 2 367.877 3.183 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156550854 496276527 /nfs/dbraw/zinc/27/65/27/496276527.db2.gz RCEADRFZMLARSF-CRAIPNDOSA-N 2 2 371.441 3.011 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156550854 496276531 /nfs/dbraw/zinc/27/65/31/496276531.db2.gz RCEADRFZMLARSF-CRAIPNDOSA-N 2 2 371.441 3.011 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153991548 496646843 /nfs/dbraw/zinc/64/68/43/496646843.db2.gz IHTRTTDWSJVSET-KSZLIROESA-N 2 2 360.502 3.146 20 5 FGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153991548 496646846 /nfs/dbraw/zinc/64/68/46/496646846.db2.gz IHTRTTDWSJVSET-KSZLIROESA-N 2 2 360.502 3.146 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000246525332 497763739 /nfs/dbraw/zinc/76/37/39/497763739.db2.gz JCFDHCUQUIFYDH-GUYCJALGSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000246525332 497763744 /nfs/dbraw/zinc/76/37/44/497763744.db2.gz JCFDHCUQUIFYDH-GUYCJALGSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000246525332 497763750 /nfs/dbraw/zinc/76/37/50/497763750.db2.gz JCFDHCUQUIFYDH-GUYCJALGSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000246525332 497763756 /nfs/dbraw/zinc/76/37/56/497763756.db2.gz JCFDHCUQUIFYDH-GUYCJALGSA-N 2 2 356.426 3.185 20 5 FGBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364717141 498109217 /nfs/dbraw/zinc/10/92/17/498109217.db2.gz OXIDSIAJCGZPRV-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364717141 498109223 /nfs/dbraw/zinc/10/92/23/498109223.db2.gz OXIDSIAJCGZPRV-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364717141 498109226 /nfs/dbraw/zinc/10/92/26/498109226.db2.gz OXIDSIAJCGZPRV-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364717141 498109232 /nfs/dbraw/zinc/10/92/32/498109232.db2.gz OXIDSIAJCGZPRV-FXAWDEMLSA-N 2 2 371.485 3.233 20 5 FGBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000361246004 498365186 /nfs/dbraw/zinc/36/51/86/498365186.db2.gz KSRZCXMCDKDASP-QFBILLFUSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000361246004 498365188 /nfs/dbraw/zinc/36/51/88/498365188.db2.gz KSRZCXMCDKDASP-QFBILLFUSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000332316111 498646830 /nfs/dbraw/zinc/64/68/30/498646830.db2.gz NXLRDDUXYROKQD-OKZBNKHCSA-N 2 2 360.502 3.146 20 5 FGBDLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000332387287 498672322 /nfs/dbraw/zinc/67/23/22/498672322.db2.gz JVNGYUPFIHCCFW-QGZVFWFLSA-N 2 2 360.502 3.146 20 5 FGBDLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000332387286 498672415 /nfs/dbraw/zinc/67/24/15/498672415.db2.gz JVNGYUPFIHCCFW-KRWDZBQOSA-N 2 2 360.502 3.146 20 5 FGBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000311600234 498751687 /nfs/dbraw/zinc/75/16/87/498751687.db2.gz GPCLIDPGYVBQDM-QAPCUYQASA-N 2 2 355.438 3.356 20 5 FGBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000311600234 498751693 /nfs/dbraw/zinc/75/16/93/498751693.db2.gz GPCLIDPGYVBQDM-QAPCUYQASA-N 2 2 355.438 3.356 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000363824360 499012378 /nfs/dbraw/zinc/01/23/78/499012378.db2.gz MRDXQNDFLDPASQ-GOSISDBHSA-N 2 2 363.421 3.286 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000363824366 499012868 /nfs/dbraw/zinc/01/28/68/499012868.db2.gz MRDXQNDFLDPASQ-SFHVURJKSA-N 2 2 363.421 3.286 20 5 FGBDLP Cc1c(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000372582976 499149213 /nfs/dbraw/zinc/14/92/13/499149213.db2.gz JHVVPHQUJZKASN-UHFFFAOYSA-N 2 2 354.454 3.395 20 5 FGBDLP Cc1c(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000372582976 499149214 /nfs/dbraw/zinc/14/92/14/499149214.db2.gz JHVVPHQUJZKASN-UHFFFAOYSA-N 2 2 354.454 3.395 20 5 FGBDLP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000371313341 499309039 /nfs/dbraw/zinc/30/90/39/499309039.db2.gz KZYHIFVQVHLJIK-AWEZNQCLSA-N 2 2 367.409 3.425 20 5 FGBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414978402 499850918 /nfs/dbraw/zinc/85/09/18/499850918.db2.gz LPTPONAHLVGMND-JTQLQIEISA-N 2 2 368.231 3.444 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423415629 500373138 /nfs/dbraw/zinc/37/31/38/500373138.db2.gz DXSMALJKABXNFD-VQTJNVASSA-N 2 2 351.450 3.393 20 5 FGBDLP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000420368345 500449081 /nfs/dbraw/zinc/44/90/81/500449081.db2.gz WNPKFTNHEHYWGX-ZDUSSCGKSA-N 2 2 373.400 3.202 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020091 500555586 /nfs/dbraw/zinc/55/55/86/500555586.db2.gz YWKKZJDJMUYHHI-KRWDZBQOSA-N 2 2 360.502 3.148 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020091 500555590 /nfs/dbraw/zinc/55/55/90/500555590.db2.gz YWKKZJDJMUYHHI-KRWDZBQOSA-N 2 2 360.502 3.148 20 5 FGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449092313 500923072 /nfs/dbraw/zinc/92/30/72/500923072.db2.gz UFHDJLYJKZZEKQ-INIZCTEOSA-N 2 2 354.454 3.175 20 5 FGBDLP O=[N+]([O-])c1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435431619 500974641 /nfs/dbraw/zinc/97/46/41/500974641.db2.gz FBCORPUNOVTVTI-INIZCTEOSA-N 2 2 358.467 3.196 20 5 FGBDLP O=[N+]([O-])c1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435431619 500974642 /nfs/dbraw/zinc/97/46/42/500974642.db2.gz FBCORPUNOVTVTI-INIZCTEOSA-N 2 2 358.467 3.196 20 5 FGBDLP CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435630178 501004553 /nfs/dbraw/zinc/00/45/53/501004553.db2.gz WBDNUNWFCDUVMK-CYBMUJFWSA-N 2 2 373.400 3.169 20 5 FGBDLP CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435630178 501004555 /nfs/dbraw/zinc/00/45/55/501004555.db2.gz WBDNUNWFCDUVMK-CYBMUJFWSA-N 2 2 373.400 3.169 20 5 FGBDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000467837156 501888705 /nfs/dbraw/zinc/88/87/05/501888705.db2.gz XZVXREWSHYWPST-MRXNPFEDSA-N 2 2 355.438 3.278 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599065118 506306913 /nfs/dbraw/zinc/30/69/13/506306913.db2.gz OJFMHDWNKJLGTC-BEFAXECRSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599065118 506306919 /nfs/dbraw/zinc/30/69/19/506306919.db2.gz OJFMHDWNKJLGTC-BEFAXECRSA-N 2 2 374.485 3.309 20 5 FGBDLP CCC(CC)[C@@H](CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000552038095 505377542 /nfs/dbraw/zinc/37/75/42/505377542.db2.gz NPCFGWYHXPZWPE-MOPGFXCFSA-N 2 2 373.501 3.374 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000593735010 506754221 /nfs/dbraw/zinc/75/42/21/506754221.db2.gz UDAOTNQYOVLMAB-WCQYABFASA-N 2 2 373.400 3.154 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000593735010 506754227 /nfs/dbraw/zinc/75/42/27/506754227.db2.gz UDAOTNQYOVLMAB-WCQYABFASA-N 2 2 373.400 3.154 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157784 506797871 /nfs/dbraw/zinc/79/78/71/506797871.db2.gz WXGIPMSGGVVNKN-CJNGLKHVSA-N 2 2 368.397 3.239 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157784 506797878 /nfs/dbraw/zinc/79/78/78/506797878.db2.gz WXGIPMSGGVVNKN-CJNGLKHVSA-N 2 2 368.397 3.239 20 5 FGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000594993855 507345053 /nfs/dbraw/zinc/34/50/53/507345053.db2.gz RXXSHTDQCQXTQT-MRXNPFEDSA-N 2 2 371.437 3.198 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+]CCCCn2cc[nH+]c2)cc1Br ZINC000602517988 507735274 /nfs/dbraw/zinc/73/52/74/507735274.db2.gz IZSLGXHSBQFGOY-UHFFFAOYSA-N 2 2 359.249 3.185 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000817124352 727222558 /nfs/dbraw/zinc/22/25/58/727222558.db2.gz FVRTUHPEEKVUHT-UHFFFAOYSA-N 2 2 366.893 3.245 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000817124352 727222562 /nfs/dbraw/zinc/22/25/62/727222562.db2.gz FVRTUHPEEKVUHT-UHFFFAOYSA-N 2 2 366.893 3.245 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960864 493799465 /nfs/dbraw/zinc/79/94/65/493799465.db2.gz NXPXPJBZHUFWCQ-JSGCOSHPSA-N 2 2 368.397 3.309 20 5 FGBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960864 493799472 /nfs/dbraw/zinc/79/94/72/493799472.db2.gz NXPXPJBZHUFWCQ-JSGCOSHPSA-N 2 2 368.397 3.309 20 5 FGBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000050954386 493939249 /nfs/dbraw/zinc/93/92/49/493939249.db2.gz HFZHKVJYRSKZBZ-UHFFFAOYSA-N 2 2 369.469 3.114 20 5 FGBDLP C[C@@H]1C[NH+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000119866863 495258080 /nfs/dbraw/zinc/25/80/80/495258080.db2.gz DBDYFQLZGDKHRH-MDZRGWNJSA-N 2 2 361.486 3.005 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000152870205 496280666 /nfs/dbraw/zinc/28/06/66/496280666.db2.gz SWWSCFFHYHOENF-CQSZACIVSA-N 2 2 358.442 3.420 20 5 FGBDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000152880844 496284622 /nfs/dbraw/zinc/28/46/22/496284622.db2.gz WDMNCHOSRZYXCJ-MRXNPFEDSA-N 2 2 354.454 3.348 20 5 FGBDLP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184246113 496301997 /nfs/dbraw/zinc/30/19/97/496301997.db2.gz NKRWBACUIZFASE-UHFFFAOYSA-N 2 2 351.422 3.050 20 5 FGBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000270478807 497136860 /nfs/dbraw/zinc/13/68/60/497136860.db2.gz DMDYZROMLIJZPU-UHFFFAOYSA-N 2 2 374.444 3.002 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192933281 497250641 /nfs/dbraw/zinc/25/06/41/497250641.db2.gz HBTTVEBYBCQBPE-MRXNPFEDSA-N 2 2 370.409 3.115 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192933281 497250648 /nfs/dbraw/zinc/25/06/48/497250648.db2.gz HBTTVEBYBCQBPE-MRXNPFEDSA-N 2 2 370.409 3.115 20 5 FGBDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245448209 497413074 /nfs/dbraw/zinc/41/30/74/497413074.db2.gz MSEBZYHWEJZROW-HUUCEWRRSA-N 2 2 373.457 3.370 20 5 FGBDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245448209 497413076 /nfs/dbraw/zinc/41/30/76/497413076.db2.gz MSEBZYHWEJZROW-HUUCEWRRSA-N 2 2 373.457 3.370 20 5 FGBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971490 497587711 /nfs/dbraw/zinc/58/77/11/497587711.db2.gz OCWDQURQZFJXKL-NHCUHLMSSA-N 2 2 369.465 3.385 20 5 FGBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971490 497587713 /nfs/dbraw/zinc/58/77/13/497587713.db2.gz OCWDQURQZFJXKL-NHCUHLMSSA-N 2 2 369.465 3.385 20 5 FGBDLP Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302137400 498414241 /nfs/dbraw/zinc/41/42/41/498414241.db2.gz DLTAOKLWMBERCK-CYBMUJFWSA-N 2 2 371.466 3.065 20 5 FGBDLP COc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000291285550 498878387 /nfs/dbraw/zinc/87/83/87/498878387.db2.gz ZFRPABIMJNPEHH-UHFFFAOYSA-N 2 2 361.364 3.110 20 5 FGBDLP Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c[nH+]1 ZINC000363669320 498935700 /nfs/dbraw/zinc/93/57/00/498935700.db2.gz DHBSFQGFRKBIMC-UHFFFAOYSA-N 2 2 368.437 3.425 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283871502 499003205 /nfs/dbraw/zinc/00/32/05/499003205.db2.gz AHPHOJIVEBLFDZ-UHFFFAOYSA-N 2 2 361.402 3.174 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283871502 499003207 /nfs/dbraw/zinc/00/32/07/499003207.db2.gz AHPHOJIVEBLFDZ-UHFFFAOYSA-N 2 2 361.402 3.174 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000370670217 499242487 /nfs/dbraw/zinc/24/24/87/499242487.db2.gz XYGPVFNZLIZUDN-GOSISDBHSA-N 2 2 363.421 3.286 20 5 FGBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000371661186 499351990 /nfs/dbraw/zinc/35/19/90/499351990.db2.gz YZBDYFHUUDFBKZ-UHFFFAOYSA-N 2 2 367.877 3.323 20 5 FGBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000371661186 499351991 /nfs/dbraw/zinc/35/19/91/499351991.db2.gz YZBDYFHUUDFBKZ-UHFFFAOYSA-N 2 2 367.877 3.323 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425966620 500217278 /nfs/dbraw/zinc/21/72/78/500217278.db2.gz LJIIBPAOHVEFBP-DYESRHJHSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425966620 500217280 /nfs/dbraw/zinc/21/72/80/500217280.db2.gz LJIIBPAOHVEFBP-DYESRHJHSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425966620 500217282 /nfs/dbraw/zinc/21/72/82/500217282.db2.gz LJIIBPAOHVEFBP-DYESRHJHSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425966620 500217284 /nfs/dbraw/zinc/21/72/84/500217284.db2.gz LJIIBPAOHVEFBP-DYESRHJHSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425966621 500217455 /nfs/dbraw/zinc/21/74/55/500217455.db2.gz LJIIBPAOHVEFBP-LAUBAEHRSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425966621 500217458 /nfs/dbraw/zinc/21/74/58/500217458.db2.gz LJIIBPAOHVEFBP-LAUBAEHRSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425966621 500217459 /nfs/dbraw/zinc/21/74/59/500217459.db2.gz LJIIBPAOHVEFBP-LAUBAEHRSA-N 2 2 369.465 3.225 20 5 FGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425966621 500217463 /nfs/dbraw/zinc/21/74/63/500217463.db2.gz LJIIBPAOHVEFBP-LAUBAEHRSA-N 2 2 369.465 3.225 20 5 FGBDLP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000419698630 500390608 /nfs/dbraw/zinc/39/06/08/500390608.db2.gz ZNGVGZUDLPMWMH-UHFFFAOYSA-N 2 2 374.872 3.440 20 5 FGBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000432347096 500502364 /nfs/dbraw/zinc/50/23/64/500502364.db2.gz MBNSZUZQBFDMSN-INIZCTEOSA-N 2 2 373.453 3.445 20 5 FGBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000432347096 500502368 /nfs/dbraw/zinc/50/23/68/500502368.db2.gz MBNSZUZQBFDMSN-INIZCTEOSA-N 2 2 373.453 3.445 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000447545636 500621636 /nfs/dbraw/zinc/62/16/36/500621636.db2.gz SBEPNJCPYUJQKW-FGTMMUONSA-N 2 2 361.490 3.129 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000447545636 500621637 /nfs/dbraw/zinc/62/16/37/500621637.db2.gz SBEPNJCPYUJQKW-FGTMMUONSA-N 2 2 361.490 3.129 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000602646507 506243402 /nfs/dbraw/zinc/24/34/02/506243402.db2.gz AFNDZSUXZLLHIH-INIZCTEOSA-N 2 2 366.421 3.348 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000602646507 506243409 /nfs/dbraw/zinc/24/34/09/506243409.db2.gz AFNDZSUXZLLHIH-INIZCTEOSA-N 2 2 366.421 3.348 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000599063600 506304233 /nfs/dbraw/zinc/30/42/33/506304233.db2.gz DOTVKVPRIFYVMX-OKZBNKHCSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000599063600 506304237 /nfs/dbraw/zinc/30/42/37/506304237.db2.gz DOTVKVPRIFYVMX-OKZBNKHCSA-N 2 2 361.490 3.272 20 5 FGBDLP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000469982760 502616912 /nfs/dbraw/zinc/61/69/12/502616912.db2.gz FIXNQFMVHLIYNU-BEFAXECRSA-N 2 2 354.454 3.298 20 5 FGBDLP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000469982760 502616918 /nfs/dbraw/zinc/61/69/18/502616918.db2.gz FIXNQFMVHLIYNU-BEFAXECRSA-N 2 2 354.454 3.298 20 5 FGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000504920336 502824158 /nfs/dbraw/zinc/82/41/58/502824158.db2.gz NNPRCAZANKQQFM-HOTGVXAUSA-N 2 2 367.515 3.023 20 5 FGBDLP CCCC[NH+]1CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000489174931 502894283 /nfs/dbraw/zinc/89/42/83/502894283.db2.gz KLQLBGWPXNVMLE-UHFFFAOYSA-N 2 2 369.469 3.459 20 5 FGBDLP Cc1cc(NC2CC[NH+](CC(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611921249 506363321 /nfs/dbraw/zinc/36/33/21/506363321.db2.gz KYZPPSORLPOGIC-UHFFFAOYSA-N 2 2 350.369 3.015 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521013185 504629802 /nfs/dbraw/zinc/62/98/02/504629802.db2.gz RVRMBVZTRPJLJG-LJQANCHMSA-N 2 2 371.485 3.272 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521013185 504629804 /nfs/dbraw/zinc/62/98/04/504629804.db2.gz RVRMBVZTRPJLJG-LJQANCHMSA-N 2 2 371.485 3.272 20 5 FGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000893114119 742112278 /nfs/dbraw/zinc/11/22/78/742112278.db2.gz RKXTZNUITWNCQV-WMZOPIPTSA-N 2 2 367.877 3.106 20 5 FGBDLP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000580342977 505736428 /nfs/dbraw/zinc/73/64/28/505736428.db2.gz QGUKIBJZBVGRCJ-JWTNVVGKSA-N 2 2 367.453 3.422 20 5 FGBDLP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000580342977 505736431 /nfs/dbraw/zinc/73/64/31/505736431.db2.gz QGUKIBJZBVGRCJ-JWTNVVGKSA-N 2 2 367.453 3.422 20 5 FGBDLP C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000091961125 494736354 /nfs/dbraw/zinc/73/63/54/494736354.db2.gz BOXZSXHKIUNZGH-DOMZBBRYSA-N 2 2 366.368 3.476 20 5 FGBDLP C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000091961125 494736362 /nfs/dbraw/zinc/73/63/62/494736362.db2.gz BOXZSXHKIUNZGH-DOMZBBRYSA-N 2 2 366.368 3.476 20 5 FGBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182949843 495772097 /nfs/dbraw/zinc/77/20/97/495772097.db2.gz BNBQCSQKOSDMBL-UHFFFAOYSA-N 2 2 365.449 3.058 20 5 FGBDLP C[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000180589242 496058286 /nfs/dbraw/zinc/05/82/86/496058286.db2.gz JQFJEWANHQXWOS-LAUBAEHRSA-N 2 2 369.465 3.242 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000180935686 496207753 /nfs/dbraw/zinc/20/77/53/496207753.db2.gz DECQTDWUFXEOOA-QAPCUYQASA-N 2 2 368.437 3.273 20 5 FGBDLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3[N+](=O)[O-])[nH+]c2)CC1 ZINC000269168995 496885369 /nfs/dbraw/zinc/88/53/69/496885369.db2.gz YHLSJTQHBIKKTP-UHFFFAOYSA-N 2 2 355.442 3.132 20 5 FGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000189995735 497319161 /nfs/dbraw/zinc/31/91/61/497319161.db2.gz ZHBUADPLTLZGNM-PBHICJAKSA-N 2 2 369.893 3.475 20 5 FGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000189995735 497319163 /nfs/dbraw/zinc/31/91/63/497319163.db2.gz ZHBUADPLTLZGNM-PBHICJAKSA-N 2 2 369.893 3.475 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000361755237 498426458 /nfs/dbraw/zinc/42/64/58/498426458.db2.gz KGUCFGUHUPNZFJ-SLFFLAALSA-N 2 2 373.497 3.006 20 5 FGBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290559356 498598508 /nfs/dbraw/zinc/59/85/08/498598508.db2.gz SFJJFQPCJKCIGR-UHFFFAOYSA-N 2 2 357.439 3.437 20 5 FGBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290559356 498598511 /nfs/dbraw/zinc/59/85/11/498598511.db2.gz SFJJFQPCJKCIGR-UHFFFAOYSA-N 2 2 357.439 3.437 20 5 FGBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000284275815 499081586 /nfs/dbraw/zinc/08/15/86/499081586.db2.gz XQEMCIHNOAGLDJ-HIFRSBDPSA-N 2 2 362.430 3.246 20 5 FGBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000284275815 499081590 /nfs/dbraw/zinc/08/15/90/499081590.db2.gz XQEMCIHNOAGLDJ-HIFRSBDPSA-N 2 2 362.430 3.246 20 5 FGBDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353366 499424005 /nfs/dbraw/zinc/42/40/05/499424005.db2.gz FMKLXCASCXEVSG-COXVUDFISA-N 2 2 367.877 3.227 20 5 FGBDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353366 499424006 /nfs/dbraw/zinc/42/40/06/499424006.db2.gz FMKLXCASCXEVSG-COXVUDFISA-N 2 2 367.877 3.227 20 5 FGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376726737 499632166 /nfs/dbraw/zinc/63/21/66/499632166.db2.gz BFJYOBZYUBAHIW-UHFFFAOYSA-N 2 2 352.341 3.019 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376968354 499650189 /nfs/dbraw/zinc/65/01/89/499650189.db2.gz QANPYTOJXRTARE-JXFKEZNVSA-N 2 2 370.453 3.171 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376968354 499650190 /nfs/dbraw/zinc/65/01/90/499650190.db2.gz QANPYTOJXRTARE-JXFKEZNVSA-N 2 2 370.453 3.171 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377726209 499725675 /nfs/dbraw/zinc/72/56/75/499725675.db2.gz WPUKUNDZWQVIHV-HNNXBMFYSA-N 2 2 371.441 3.018 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377726209 499725676 /nfs/dbraw/zinc/72/56/76/499725676.db2.gz WPUKUNDZWQVIHV-HNNXBMFYSA-N 2 2 371.441 3.018 20 5 FGBDLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000377917939 499748157 /nfs/dbraw/zinc/74/81/57/499748157.db2.gz KVBZAUITZXKHMO-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000377917939 499748158 /nfs/dbraw/zinc/74/81/58/499748158.db2.gz KVBZAUITZXKHMO-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000414894142 499842380 /nfs/dbraw/zinc/84/23/80/499842380.db2.gz YYQVIQOZNFNIJS-KGETVQGISA-N 2 2 367.449 3.352 20 5 FGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415073058 499860859 /nfs/dbraw/zinc/86/08/59/499860859.db2.gz YXXOGZUEQPNALI-LIRRHRJNSA-N 2 2 370.453 3.164 20 5 FGBDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000425428625 500103411 /nfs/dbraw/zinc/10/34/11/500103411.db2.gz XJPQQDHIGNVYLE-SMDDNHRTSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425428625 500103415 /nfs/dbraw/zinc/10/34/15/500103415.db2.gz XJPQQDHIGNVYLE-SMDDNHRTSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[NH+]1C ZINC000425428625 500103418 /nfs/dbraw/zinc/10/34/18/500103418.db2.gz XJPQQDHIGNVYLE-SMDDNHRTSA-N 2 2 356.264 3.272 20 5 FGBDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC[NH+]1C ZINC000425428625 500103421 /nfs/dbraw/zinc/10/34/21/500103421.db2.gz XJPQQDHIGNVYLE-SMDDNHRTSA-N 2 2 356.264 3.272 20 5 FGBDLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000420902249 500526165 /nfs/dbraw/zinc/52/61/65/500526165.db2.gz MJZSCSCDSWFNCE-UHFFFAOYSA-N 2 2 355.438 3.059 20 5 FGBDLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000420902249 500526167 /nfs/dbraw/zinc/52/61/67/500526167.db2.gz MJZSCSCDSWFNCE-UHFFFAOYSA-N 2 2 355.438 3.059 20 5 FGBDLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000420907249 500527635 /nfs/dbraw/zinc/52/76/35/500527635.db2.gz UZOHXQGXOQQDPT-UHFFFAOYSA-N 2 2 355.438 3.059 20 5 FGBDLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000420907249 500527639 /nfs/dbraw/zinc/52/76/39/500527639.db2.gz UZOHXQGXOQQDPT-UHFFFAOYSA-N 2 2 355.438 3.059 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000447554235 500623459 /nfs/dbraw/zinc/62/34/59/500623459.db2.gz ZQLHDGIWEXYCCB-DLBZAZTESA-N 2 2 368.441 3.374 20 5 FGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000504920338 502824324 /nfs/dbraw/zinc/82/43/24/502824324.db2.gz NNPRCAZANKQQFM-JKSUJKDBSA-N 2 2 367.515 3.023 20 5 FGBDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000540756960 503881981 /nfs/dbraw/zinc/88/19/81/503881981.db2.gz BMIXMWGCQKTXMK-RDTXWAMCSA-N 2 2 355.442 3.303 20 5 FGBDLP C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000563012992 505019988 /nfs/dbraw/zinc/01/99/88/505019988.db2.gz DROULZKBCLREQG-MGPUTAFESA-N 2 2 370.453 3.204 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000560527800 505115789 /nfs/dbraw/zinc/11/57/89/505115789.db2.gz BUMILAWPSMHYKJ-LJQANCHMSA-N 2 2 371.485 3.272 20 5 FGBDLP Cn1cc[nH+]c1[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000560527800 505115790 /nfs/dbraw/zinc/11/57/90/505115790.db2.gz BUMILAWPSMHYKJ-LJQANCHMSA-N 2 2 371.485 3.272 20 5 FGBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])[nH+]c2)C1 ZINC000584361147 507301969 /nfs/dbraw/zinc/30/19/69/507301969.db2.gz DUFXEWKBSMQDBI-CRAIPNDOSA-N 2 2 367.453 3.230 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)o2)cc1 ZINC000594992919 507345234 /nfs/dbraw/zinc/34/52/34/507345234.db2.gz LHSBZECVBLKGAC-GOSISDBHSA-N 2 2 371.437 3.198 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595078719 507382652 /nfs/dbraw/zinc/38/26/52/507382652.db2.gz AJGRLIYDGNEQPJ-DOTOQJQBSA-N 2 2 374.485 3.309 20 5 FGBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595078719 507382655 /nfs/dbraw/zinc/38/26/55/507382655.db2.gz AJGRLIYDGNEQPJ-DOTOQJQBSA-N 2 2 374.485 3.309 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000595081954 507383957 /nfs/dbraw/zinc/38/39/57/507383957.db2.gz UUYALENNEADZOV-CGTJXYLNSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000595081954 507383964 /nfs/dbraw/zinc/38/39/64/507383964.db2.gz UUYALENNEADZOV-CGTJXYLNSA-N 2 2 361.490 3.272 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595102141 507393177 /nfs/dbraw/zinc/39/31/77/507393177.db2.gz KECYWLKRAZBHIQ-FFZOFVMBSA-N 2 2 373.497 3.149 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595102143 507393749 /nfs/dbraw/zinc/39/37/49/507393749.db2.gz KECYWLKRAZBHIQ-VDGAXYAQSA-N 2 2 373.497 3.149 20 5 FGBDLP Cc1noc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000595387523 507479821 /nfs/dbraw/zinc/47/98/21/507479821.db2.gz CVXUVAXAYDMOQI-AWEZNQCLSA-N 2 2 355.398 3.214 20 5 FGBDLP Cc1noc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000595387523 507479826 /nfs/dbraw/zinc/47/98/26/507479826.db2.gz CVXUVAXAYDMOQI-AWEZNQCLSA-N 2 2 355.398 3.214 20 5 FGBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595509213 507536919 /nfs/dbraw/zinc/53/69/19/507536919.db2.gz DMSWJLGSCMQPHM-UHFFFAOYSA-N 2 2 355.438 3.228 20 5 FGBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595512706 507537838 /nfs/dbraw/zinc/53/78/38/507537838.db2.gz ZYZROYOOLHXKOV-UHFFFAOYSA-N 2 2 355.438 3.228 20 5 FGBDLP Cc1cc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)[nH+]1 ZINC000052216702 136124353 /nfs/dbraw/zinc/12/43/53/136124353.db2.gz KWWLZTVIWZFKCP-UHFFFAOYSA-N 2 2 369.469 3.181 20 5 FGBDLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000093300231 494864270 /nfs/dbraw/zinc/86/42/70/494864270.db2.gz KDKAOULMAAIVFR-UHFFFAOYSA-N 2 2 368.441 3.041 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182573724 495620684 /nfs/dbraw/zinc/62/06/84/495620684.db2.gz JZWGNSQQDCCKAK-KLYKLPNCSA-N 2 2 372.513 3.207 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182573724 495620690 /nfs/dbraw/zinc/62/06/90/495620690.db2.gz JZWGNSQQDCCKAK-KLYKLPNCSA-N 2 2 372.513 3.207 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000580694283 505815144 /nfs/dbraw/zinc/81/51/44/505815144.db2.gz MLOOAHQLRPUMCZ-QZTJIDSGSA-N 2 2 366.425 3.251 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000152694447 496228742 /nfs/dbraw/zinc/22/87/42/496228742.db2.gz DXEIXFQEXUOTKG-OWCLPIDISA-N 2 2 365.474 3.143 20 5 FGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749963 497528168 /nfs/dbraw/zinc/52/81/68/497528168.db2.gz NQFBODOTRPXOAE-WFASDCNBSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749963 497528172 /nfs/dbraw/zinc/52/81/72/497528172.db2.gz NQFBODOTRPXOAE-WFASDCNBSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749963 497528176 /nfs/dbraw/zinc/52/81/76/497528176.db2.gz NQFBODOTRPXOAE-WFASDCNBSA-N 2 2 357.401 3.358 20 5 FGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749963 497528181 /nfs/dbraw/zinc/52/81/81/497528181.db2.gz NQFBODOTRPXOAE-WFASDCNBSA-N 2 2 357.401 3.358 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000194269489 497618886 /nfs/dbraw/zinc/61/88/86/497618886.db2.gz BVFXBHOZUNDPDI-UHFFFAOYSA-N 2 2 371.328 3.118 20 5 FGBDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284895244 497933649 /nfs/dbraw/zinc/93/36/49/497933649.db2.gz BZUWHCOGAWOTOB-CABCVRRESA-N 2 2 369.469 3.448 20 5 FGBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000361246005 498364618 /nfs/dbraw/zinc/36/46/18/498364618.db2.gz KSRZCXMCDKDASP-VQIMIIECSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000361246005 498364626 /nfs/dbraw/zinc/36/46/26/498364626.db2.gz KSRZCXMCDKDASP-VQIMIIECSA-N 2 2 354.454 3.033 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000573142745 506127768 /nfs/dbraw/zinc/12/77/68/506127768.db2.gz JCHWLIDQBCOAIM-UHFFFAOYSA-N 2 2 357.410 3.350 20 5 FGBDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353367 499423946 /nfs/dbraw/zinc/42/39/46/499423946.db2.gz FMKLXCASCXEVSG-KBRIMQKVSA-N 2 2 367.877 3.227 20 5 FGBDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353367 499423947 /nfs/dbraw/zinc/42/39/47/499423947.db2.gz FMKLXCASCXEVSG-KBRIMQKVSA-N 2 2 367.877 3.227 20 5 FGBDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000373185833 499456039 /nfs/dbraw/zinc/45/60/39/499456039.db2.gz LVECPKRLEMPATB-FFZOFVMBSA-N 2 2 371.485 3.452 20 5 FGBDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000373185833 499456040 /nfs/dbraw/zinc/45/60/40/499456040.db2.gz LVECPKRLEMPATB-FFZOFVMBSA-N 2 2 371.485 3.452 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231039 499492773 /nfs/dbraw/zinc/49/27/73/499492773.db2.gz REGAIWQBUJYWHP-QZTJIDSGSA-N 2 2 358.442 3.113 20 5 FGBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231039 499492775 /nfs/dbraw/zinc/49/27/75/499492775.db2.gz REGAIWQBUJYWHP-QZTJIDSGSA-N 2 2 358.442 3.113 20 5 FGBDLP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375279564 499502480 /nfs/dbraw/zinc/50/24/80/499502480.db2.gz NTCJQVPSUGEMLH-KXBFYZLASA-N 2 2 358.417 3.254 20 5 FGBDLP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375279564 499502482 /nfs/dbraw/zinc/50/24/82/499502482.db2.gz NTCJQVPSUGEMLH-KXBFYZLASA-N 2 2 358.417 3.254 20 5 FGBDLP C[NH+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375279564 499502484 /nfs/dbraw/zinc/50/24/84/499502484.db2.gz NTCJQVPSUGEMLH-KXBFYZLASA-N 2 2 358.417 3.254 20 5 FGBDLP C[NH+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375279564 499502486 /nfs/dbraw/zinc/50/24/86/499502486.db2.gz NTCJQVPSUGEMLH-KXBFYZLASA-N 2 2 358.417 3.254 20 5 FGBDLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)CCc3ccccc3[N+](=O)[O-])sc2C1 ZINC000377684663 499719584 /nfs/dbraw/zinc/71/95/84/499719584.db2.gz XKYPQCKXYIBPJZ-UHFFFAOYSA-N 2 2 374.510 3.492 20 5 FGBDLP CC(C)[N@H+]1CCc2nc(C[NH+](C)CCc3ccccc3[N+](=O)[O-])sc2C1 ZINC000377684663 499719585 /nfs/dbraw/zinc/71/95/85/499719585.db2.gz XKYPQCKXYIBPJZ-UHFFFAOYSA-N 2 2 374.510 3.492 20 5 FGBDLP CC(C)[NH+]1CCc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])sc2C1 ZINC000377684663 499719586 /nfs/dbraw/zinc/71/95/86/499719586.db2.gz XKYPQCKXYIBPJZ-UHFFFAOYSA-N 2 2 374.510 3.492 20 5 FGBDLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])sc2C1 ZINC000377684663 499719587 /nfs/dbraw/zinc/71/95/87/499719587.db2.gz XKYPQCKXYIBPJZ-UHFFFAOYSA-N 2 2 374.510 3.492 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000414894145 499842507 /nfs/dbraw/zinc/84/25/07/499842507.db2.gz YYQVIQOZNFNIJS-LRDJZXPISA-N 2 2 367.449 3.352 20 5 FGBDLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC[NH2+]1 ZINC000414936207 499846335 /nfs/dbraw/zinc/84/63/35/499846335.db2.gz BSRXVPLVTTXPFQ-GOSISDBHSA-N 2 2 361.467 3.182 20 5 FGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2c1 ZINC000413192879 499925171 /nfs/dbraw/zinc/92/51/71/499925171.db2.gz JRDGEFDUWOBAKE-MOPGFXCFSA-N 2 2 370.453 3.323 20 5 FGBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000447554241 500623627 /nfs/dbraw/zinc/62/36/27/500623627.db2.gz ZQLHDGIWEXYCCB-SJORKVTESA-N 2 2 368.441 3.374 20 5 FGBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000447564782 500625512 /nfs/dbraw/zinc/62/55/12/500625512.db2.gz ZCVYDDIYCXWTCP-HOTGVXAUSA-N 2 2 358.446 3.152 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000459656698 501693674 /nfs/dbraw/zinc/69/36/74/501693674.db2.gz HKFLQSFBRFDOIN-UHFFFAOYSA-N 2 2 365.437 3.429 20 5 FGBDLP CC[NH+](CC)CCO[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599052992 506294345 /nfs/dbraw/zinc/29/43/45/506294345.db2.gz CEPSFQNMNCIZNF-MRXNPFEDSA-N 2 2 358.442 3.080 20 5 FGBDLP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000599055970 506298223 /nfs/dbraw/zinc/29/82/23/506298223.db2.gz VTXRUFWFZIFDQS-UHFFFAOYSA-N 2 2 370.453 3.224 20 5 FGBDLP CC(C)OCC[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599057238 506299007 /nfs/dbraw/zinc/29/90/07/506299007.db2.gz YCLKSXLJBOEXDF-UHFFFAOYSA-N 2 2 358.442 3.444 20 5 FGBDLP C[C@@H]1C[NH+](CCCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000599062424 506302444 /nfs/dbraw/zinc/30/24/44/506302444.db2.gz PUNDMJZPFNTMKQ-HUUCEWRRSA-N 2 2 358.442 3.444 20 5 FGBDLP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461972077 502258220 /nfs/dbraw/zinc/25/82/20/502258220.db2.gz YJHBBIROUMMRMB-UHFFFAOYSA-N 2 2 364.465 3.405 20 5 FGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962042 506367414 /nfs/dbraw/zinc/36/74/14/506367414.db2.gz FJYZKNZCTYNFTE-FQEVSTJZSA-N 2 2 366.421 3.086 20 5 FGBDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])c2cc1C ZINC000538227683 504168938 /nfs/dbraw/zinc/16/89/38/504168938.db2.gz BPBHFZZCWUCUNU-JKSUJKDBSA-N 2 2 368.437 3.273 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000520952108 504615393 /nfs/dbraw/zinc/61/53/93/504615393.db2.gz DTDJQKFDRRUXDH-ZDUSSCGKSA-N 2 2 356.382 3.238 20 5 FGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549556630 504849300 /nfs/dbraw/zinc/84/93/00/504849300.db2.gz ZTKOCLHWHMFSLF-DNVCBOLYSA-N 2 2 355.438 3.301 20 5 FGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549556630 504849303 /nfs/dbraw/zinc/84/93/03/504849303.db2.gz ZTKOCLHWHMFSLF-DNVCBOLYSA-N 2 2 355.438 3.301 20 5 FGBDLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000565711759 504965518 /nfs/dbraw/zinc/96/55/18/504965518.db2.gz GEGMDEQUXSSPAA-MRXNPFEDSA-N 2 2 370.453 3.034 20 5 FGBDLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000565711759 504965523 /nfs/dbraw/zinc/96/55/23/504965523.db2.gz GEGMDEQUXSSPAA-MRXNPFEDSA-N 2 2 370.453 3.034 20 5 FGBDLP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000600771566 507111457 /nfs/dbraw/zinc/11/14/57/507111457.db2.gz HPSJUWZIOKNQNC-KBXCAEBGSA-N 2 2 371.437 3.022 20 5 FGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCC2 ZINC000595105932 507394889 /nfs/dbraw/zinc/39/48/89/507394889.db2.gz UTRMZYOVWCBEEY-QUCCMNQESA-N 2 2 359.470 3.205 20 5 FGBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404311 507664805 /nfs/dbraw/zinc/66/48/05/507664805.db2.gz GJTXKVPSVVEKBJ-QFBILLFUSA-N 2 2 357.454 3.047 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)o2)c([N+](=O)[O-])c1 ZINC000570763688 505574899 /nfs/dbraw/zinc/57/48/99/505574899.db2.gz HBCUIOQGDNZQBO-GFCCVEGCSA-N 2 2 368.393 3.234 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)o2)c([N+](=O)[O-])c1 ZINC000570763688 505574903 /nfs/dbraw/zinc/57/49/03/505574903.db2.gz HBCUIOQGDNZQBO-GFCCVEGCSA-N 2 2 368.393 3.234 20 5 FGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000093664526 494909846 /nfs/dbraw/zinc/90/98/46/494909846.db2.gz UMNLYOZUPGBIIO-INIZCTEOSA-N 2 2 371.437 3.009 20 5 FGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000093664526 494909847 /nfs/dbraw/zinc/90/98/47/494909847.db2.gz UMNLYOZUPGBIIO-INIZCTEOSA-N 2 2 371.437 3.009 20 5 FGBDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173331539 496646096 /nfs/dbraw/zinc/64/60/96/496646096.db2.gz VNMMSTDODZYDFG-MRXNPFEDSA-N 2 2 355.438 3.278 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179181089 496702954 /nfs/dbraw/zinc/70/29/54/496702954.db2.gz OZNZRDPKZMWGPD-DNVCBOLYSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179181089 496702959 /nfs/dbraw/zinc/70/29/59/496702959.db2.gz OZNZRDPKZMWGPD-DNVCBOLYSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179181089 496702962 /nfs/dbraw/zinc/70/29/62/496702962.db2.gz OZNZRDPKZMWGPD-DNVCBOLYSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179181089 496702966 /nfs/dbraw/zinc/70/29/66/496702966.db2.gz OZNZRDPKZMWGPD-DNVCBOLYSA-N 2 2 359.470 3.442 20 5 FGBDLP C[NH+](C)C1CCN(c2ccc(NCc3cccc([N+](=O)[O-])c3)[nH+]c2)CC1 ZINC000269145297 496880764 /nfs/dbraw/zinc/88/07/64/496880764.db2.gz NWXCHYVFMYAZJD-UHFFFAOYSA-N 2 2 355.442 3.132 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266928998 497449148 /nfs/dbraw/zinc/44/91/48/497449148.db2.gz NXPXPJBZHUFWCQ-TZMCWYRMSA-N 2 2 368.397 3.309 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266928998 497449151 /nfs/dbraw/zinc/44/91/51/497449151.db2.gz NXPXPJBZHUFWCQ-TZMCWYRMSA-N 2 2 368.397 3.309 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)c1 ZINC000368087661 499262946 /nfs/dbraw/zinc/26/29/46/499262946.db2.gz BVPIRFWPOPEVFL-GFCCVEGCSA-N 2 2 355.423 3.089 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cs2)c1 ZINC000368087661 499262947 /nfs/dbraw/zinc/26/29/47/499262947.db2.gz BVPIRFWPOPEVFL-GFCCVEGCSA-N 2 2 355.423 3.089 20 5 FGBDLP COc1cc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000372009946 499389542 /nfs/dbraw/zinc/38/95/42/499389542.db2.gz MRCVISRTYMUVCB-UHFFFAOYSA-N 2 2 374.416 3.238 20 5 FGBDLP COc1cc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000372009946 499389543 /nfs/dbraw/zinc/38/95/43/499389543.db2.gz MRCVISRTYMUVCB-UHFFFAOYSA-N 2 2 374.416 3.238 20 5 FGBDLP Cn1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376489685 499612196 /nfs/dbraw/zinc/61/21/96/499612196.db2.gz DQQOETWMBIQXMA-UHFFFAOYSA-N 2 2 366.425 3.098 20 5 FGBDLP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414848598 499837703 /nfs/dbraw/zinc/83/77/03/499837703.db2.gz QAXJRKCZNCUNLL-QGZVFWFLSA-N 2 2 371.437 3.024 20 5 FGBDLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000414944616 499847318 /nfs/dbraw/zinc/84/73/18/499847318.db2.gz HEBWAFSIZKIROM-CRAIPNDOSA-N 2 2 361.392 3.417 20 5 FGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414952763 499848541 /nfs/dbraw/zinc/84/85/41/499848541.db2.gz JAXWURSRUSUWES-APWZRJJASA-N 2 2 361.392 3.417 20 5 FGBDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000414973163 499850211 /nfs/dbraw/zinc/85/02/11/499850211.db2.gz BVWYRZPIEKHGJG-MRXNPFEDSA-N 2 2 359.426 3.009 20 5 FGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415073055 499860853 /nfs/dbraw/zinc/86/08/53/499860853.db2.gz YXXOGZUEQPNALI-AUUYWEPGSA-N 2 2 370.453 3.164 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429239141 500030790 /nfs/dbraw/zinc/03/07/90/500030790.db2.gz PLUUNTLXKQACLF-UHFFFAOYSA-N 2 2 373.457 3.013 20 5 FGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429239141 500030793 /nfs/dbraw/zinc/03/07/93/500030793.db2.gz PLUUNTLXKQACLF-UHFFFAOYSA-N 2 2 373.457 3.013 20 5 FGBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000425424834 500102510 /nfs/dbraw/zinc/10/25/10/500102510.db2.gz PXOWOUIUMLQZAE-UHFFFAOYSA-N 2 2 365.231 3.391 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423415630 500373191 /nfs/dbraw/zinc/37/31/91/500373191.db2.gz DXSMALJKABXNFD-WOJBJXKFSA-N 2 2 351.450 3.393 20 5 FGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423494776 500379094 /nfs/dbraw/zinc/37/90/94/500379094.db2.gz BAEHYQPVRNDDFT-KURKYZTESA-N 2 2 357.458 3.127 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000602646508 506244108 /nfs/dbraw/zinc/24/41/08/506244108.db2.gz AFNDZSUXZLLHIH-MRXNPFEDSA-N 2 2 366.421 3.348 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000602646508 506244114 /nfs/dbraw/zinc/24/41/14/506244114.db2.gz AFNDZSUXZLLHIH-MRXNPFEDSA-N 2 2 366.421 3.348 20 5 FGBDLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000543987908 503961022 /nfs/dbraw/zinc/96/10/22/503961022.db2.gz OQUAMOLAMUVCLC-UHFFFAOYSA-N 2 2 358.442 3.492 20 5 FGBDLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531709759 504399155 /nfs/dbraw/zinc/39/91/55/504399155.db2.gz OZEVXVZORLTJJD-DYESRHJHSA-N 2 2 368.481 3.234 20 5 FGBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549556631 504848855 /nfs/dbraw/zinc/84/88/55/504848855.db2.gz ZTKOCLHWHMFSLF-HNAYVOBHSA-N 2 2 355.438 3.301 20 5 FGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549556631 504848858 /nfs/dbraw/zinc/84/88/58/504848858.db2.gz ZTKOCLHWHMFSLF-HNAYVOBHSA-N 2 2 355.438 3.301 20 5 FGBDLP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000555005415 505326641 /nfs/dbraw/zinc/32/66/41/505326641.db2.gz NSGIWATYQWREQF-MAUKXSAKSA-N 2 2 359.474 3.128 20 5 FGBDLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000555005415 505326644 /nfs/dbraw/zinc/32/66/44/505326644.db2.gz NSGIWATYQWREQF-MAUKXSAKSA-N 2 2 359.474 3.128 20 5 FGBDLP CCC(CC)[C@H](CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000552038096 505377900 /nfs/dbraw/zinc/37/79/00/505377900.db2.gz NPCFGWYHXPZWPE-OALUTQOASA-N 2 2 373.501 3.374 20 5 FGBDLP CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000595332872 507461948 /nfs/dbraw/zinc/46/19/48/507461948.db2.gz GUCJTZPUIFCGOV-UHFFFAOYSA-N 2 2 359.430 3.025 20 5 FGBDLP CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000595332872 507461950 /nfs/dbraw/zinc/46/19/50/507461950.db2.gz GUCJTZPUIFCGOV-UHFFFAOYSA-N 2 2 359.430 3.025 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000611170676 507543950 /nfs/dbraw/zinc/54/39/50/507543950.db2.gz WKIMLAJHHITHJW-QGZVFWFLSA-N 2 2 353.382 3.283 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000611170676 507543954 /nfs/dbraw/zinc/54/39/54/507543954.db2.gz WKIMLAJHHITHJW-QGZVFWFLSA-N 2 2 353.382 3.283 20 5 FGBDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602523758 507737235 /nfs/dbraw/zinc/73/72/35/507737235.db2.gz HCDMTERZDNWJSR-SNVBAGLBSA-N 2 2 362.293 3.240 20 5 FGBDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602523758 507737237 /nfs/dbraw/zinc/73/72/37/507737237.db2.gz HCDMTERZDNWJSR-SNVBAGLBSA-N 2 2 362.293 3.240 20 5 FGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000893114116 742112012 /nfs/dbraw/zinc/11/20/12/742112012.db2.gz RKXTZNUITWNCQV-AEFFLSMTSA-N 2 2 367.877 3.106 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000072725387 494241309 /nfs/dbraw/zinc/24/13/09/494241309.db2.gz MMQZLLMWONRXSY-HOTGVXAUSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000072725387 494241312 /nfs/dbraw/zinc/24/13/12/494241312.db2.gz MMQZLLMWONRXSY-HOTGVXAUSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000072725387 494241316 /nfs/dbraw/zinc/24/13/16/494241316.db2.gz MMQZLLMWONRXSY-HOTGVXAUSA-N 2 2 362.474 3.036 20 5 FGBDLP Cc1c(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000072725387 494241319 /nfs/dbraw/zinc/24/13/19/494241319.db2.gz MMQZLLMWONRXSY-HOTGVXAUSA-N 2 2 362.474 3.036 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000089903599 494396712 /nfs/dbraw/zinc/39/67/12/494396712.db2.gz HQRFJNZJTBNQCH-OAHLLOKOSA-N 2 2 356.426 3.168 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000089903599 494396717 /nfs/dbraw/zinc/39/67/17/494396717.db2.gz HQRFJNZJTBNQCH-OAHLLOKOSA-N 2 2 356.426 3.168 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)co2)cc1 ZINC000089908736 494398723 /nfs/dbraw/zinc/39/87/23/494398723.db2.gz QSLPDLBXBOQAFO-UHFFFAOYSA-N 2 2 353.382 3.283 20 5 FGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043694 494768651 /nfs/dbraw/zinc/76/86/51/494768651.db2.gz PEMFSUWQXAVMLV-DOMZBBRYSA-N 2 2 355.385 3.112 20 5 FGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043694 494768658 /nfs/dbraw/zinc/76/86/58/494768658.db2.gz PEMFSUWQXAVMLV-DOMZBBRYSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043694 494768664 /nfs/dbraw/zinc/76/86/64/494768664.db2.gz PEMFSUWQXAVMLV-DOMZBBRYSA-N 2 2 355.385 3.112 20 5 FGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043694 494768668 /nfs/dbraw/zinc/76/86/68/494768668.db2.gz PEMFSUWQXAVMLV-DOMZBBRYSA-N 2 2 355.385 3.112 20 5 FGBDLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357216 497087647 /nfs/dbraw/zinc/08/76/47/497087647.db2.gz XXVHZBDQKXNNSU-HXUWFJFHSA-N 2 2 369.465 3.284 20 5 FGBDLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357216 497087652 /nfs/dbraw/zinc/08/76/52/497087652.db2.gz XXVHZBDQKXNNSU-HXUWFJFHSA-N 2 2 369.465 3.284 20 5 FGBDLP Cn1cc([C@@H]2[C@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000363176686 498688060 /nfs/dbraw/zinc/68/80/60/498688060.db2.gz LNIIAVCYMIBRRJ-FFJFPXHCSA-N 2 2 369.469 3.014 20 5 FGBDLP Cn1cc([C@@H]2[C@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000363176686 498688063 /nfs/dbraw/zinc/68/80/63/498688063.db2.gz LNIIAVCYMIBRRJ-FFJFPXHCSA-N 2 2 369.469 3.014 20 5 FGBDLP Cc1c(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000378429124 499516074 /nfs/dbraw/zinc/51/60/74/499516074.db2.gz KQRIGNKWTKKFPH-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP Cc1c(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000378429124 499516075 /nfs/dbraw/zinc/51/60/75/499516075.db2.gz KQRIGNKWTKKFPH-UHFFFAOYSA-N 2 2 368.481 3.437 20 5 FGBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000415018344 499855422 /nfs/dbraw/zinc/85/54/22/499855422.db2.gz QTKFWNDNTCPDOJ-ZJUUUORDSA-N 2 2 368.231 3.443 20 5 FGBDLP CC(C)OCC[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413188248 499924406 /nfs/dbraw/zinc/92/44/06/499924406.db2.gz WRICYUYFRXGPHA-UHFFFAOYSA-N 2 2 358.442 3.444 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)CC1 ZINC000420632026 500480619 /nfs/dbraw/zinc/48/06/19/500480619.db2.gz WDPHTYQDZQWTOG-UHFFFAOYSA-N 2 2 364.465 3.039 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)CC1 ZINC000420632026 500480620 /nfs/dbraw/zinc/48/06/20/500480620.db2.gz WDPHTYQDZQWTOG-UHFFFAOYSA-N 2 2 364.465 3.039 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000479942944 502426146 /nfs/dbraw/zinc/42/61/46/502426146.db2.gz RHXZSXAOOAQZGG-CALCHBBNSA-N 2 2 352.438 3.014 20 5 FGBDLP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000479942944 502426152 /nfs/dbraw/zinc/42/61/52/502426152.db2.gz RHXZSXAOOAQZGG-CALCHBBNSA-N 2 2 352.438 3.014 20 5 FGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000504894018 502819761 /nfs/dbraw/zinc/81/97/61/502819761.db2.gz JFYMZRIZNMWXRP-YOEHRIQHSA-N 2 2 369.556 3.492 20 5 FGBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000513754641 503017230 /nfs/dbraw/zinc/01/72/30/503017230.db2.gz MGHQFNVJGCQNCA-SFHVURJKSA-N 2 2 371.485 3.272 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380255 503397917 /nfs/dbraw/zinc/39/79/17/503397917.db2.gz WAEMESJXCRQPMT-MRXNPFEDSA-N 2 2 370.453 3.386 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380255 503397919 /nfs/dbraw/zinc/39/79/19/503397919.db2.gz WAEMESJXCRQPMT-MRXNPFEDSA-N 2 2 370.453 3.386 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380253 503398144 /nfs/dbraw/zinc/39/81/44/503398144.db2.gz WAEMESJXCRQPMT-INIZCTEOSA-N 2 2 370.453 3.386 20 5 FGBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380253 503398148 /nfs/dbraw/zinc/39/81/48/503398148.db2.gz WAEMESJXCRQPMT-INIZCTEOSA-N 2 2 370.453 3.386 20 5 FGBDLP O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1 ZINC000541537276 504168723 /nfs/dbraw/zinc/16/87/23/504168723.db2.gz CRHIVIMFOKBPSC-UHFFFAOYSA-N 2 2 369.450 3.164 20 5 FGBDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000564666391 505487058 /nfs/dbraw/zinc/48/70/58/505487058.db2.gz GVGXVDCTKHYJFK-JKSUJKDBSA-N 2 2 362.474 3.022 20 5 FGBDLP CC(C)c1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000589195409 506479016 /nfs/dbraw/zinc/47/90/16/506479016.db2.gz UKUXXNQIIDQLMX-UHFFFAOYSA-N 2 2 362.518 3.176 20 5 FGBDLP CC(C)c1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000589195409 506479017 /nfs/dbraw/zinc/47/90/17/506479017.db2.gz UKUXXNQIIDQLMX-UHFFFAOYSA-N 2 2 362.518 3.176 20 5 FGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)o1 ZINC000903954604 743904804 /nfs/dbraw/zinc/90/48/04/743904804.db2.gz GIBQYYHNGKMRMX-LBPRGKRZSA-N 2 2 351.353 3.189 20 5 FGBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910012 494503692 /nfs/dbraw/zinc/50/36/92/494503692.db2.gz KILBOBUAJSCKNQ-JXFKEZNVSA-N 2 2 354.454 3.033 20 5 FGBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910012 494503696 /nfs/dbraw/zinc/50/36/96/494503696.db2.gz KILBOBUAJSCKNQ-JXFKEZNVSA-N 2 2 354.454 3.033 20 5 FGBDLP Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116396430 494774084 /nfs/dbraw/zinc/77/40/84/494774084.db2.gz IOVONVMZIQZNJI-RHSMWYFYSA-N 2 2 364.490 3.186 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134717243 495191179 /nfs/dbraw/zinc/19/11/79/495191179.db2.gz XIPRWBJEMLEIQR-MRXNPFEDSA-N 2 2 374.485 3.181 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134717243 495191183 /nfs/dbraw/zinc/19/11/83/495191183.db2.gz XIPRWBJEMLEIQR-MRXNPFEDSA-N 2 2 374.485 3.181 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134927555 495224549 /nfs/dbraw/zinc/22/45/49/495224549.db2.gz JCFDHCUQUIFYDH-DYVFJYSZSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134927555 495224551 /nfs/dbraw/zinc/22/45/51/495224551.db2.gz JCFDHCUQUIFYDH-DYVFJYSZSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000134927555 495224553 /nfs/dbraw/zinc/22/45/53/495224553.db2.gz JCFDHCUQUIFYDH-DYVFJYSZSA-N 2 2 356.426 3.185 20 5 FGBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000134927555 495224555 /nfs/dbraw/zinc/22/45/55/495224555.db2.gz JCFDHCUQUIFYDH-DYVFJYSZSA-N 2 2 356.426 3.185 20 5 FGBDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000113331905 495297738 /nfs/dbraw/zinc/29/77/38/495297738.db2.gz AXNGWPVXZHWZBS-CQSZACIVSA-N 2 2 369.450 3.328 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000130993240 495477475 /nfs/dbraw/zinc/47/74/75/495477475.db2.gz HVXREOQDWZLVQI-INIZCTEOSA-N 2 2 371.437 3.009 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000130993240 495477479 /nfs/dbraw/zinc/47/74/79/495477479.db2.gz HVXREOQDWZLVQI-INIZCTEOSA-N 2 2 371.437 3.009 20 5 FGBDLP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180242515 495921990 /nfs/dbraw/zinc/92/19/90/495921990.db2.gz MSWMRDHDPDEERX-NRFANRHFSA-N 2 2 369.465 3.385 20 5 FGBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000580795017 505839491 /nfs/dbraw/zinc/83/94/91/505839491.db2.gz BRAFPSMHBYOASP-UHFFFAOYSA-N 2 2 358.442 3.363 20 5 FGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823486 497544405 /nfs/dbraw/zinc/54/44/05/497544405.db2.gz FGFLXUMJFZYBQV-CRAIPNDOSA-N 2 2 356.426 3.166 20 5 FGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823486 497544411 /nfs/dbraw/zinc/54/44/11/497544411.db2.gz FGFLXUMJFZYBQV-CRAIPNDOSA-N 2 2 356.426 3.166 20 5 FGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823486 497544414 /nfs/dbraw/zinc/54/44/14/497544414.db2.gz FGFLXUMJFZYBQV-CRAIPNDOSA-N 2 2 356.426 3.166 20 5 FGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823486 497544421 /nfs/dbraw/zinc/54/44/21/497544421.db2.gz FGFLXUMJFZYBQV-CRAIPNDOSA-N 2 2 356.426 3.166 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246849014 497816533 /nfs/dbraw/zinc/81/65/33/497816533.db2.gz OZNZRDPKZMWGPD-HNAYVOBHSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246849014 497816534 /nfs/dbraw/zinc/81/65/34/497816534.db2.gz OZNZRDPKZMWGPD-HNAYVOBHSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246849014 497816535 /nfs/dbraw/zinc/81/65/35/497816535.db2.gz OZNZRDPKZMWGPD-HNAYVOBHSA-N 2 2 359.470 3.442 20 5 FGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246849014 497816536 /nfs/dbraw/zinc/81/65/36/497816536.db2.gz OZNZRDPKZMWGPD-HNAYVOBHSA-N 2 2 359.470 3.442 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991083 498224849 /nfs/dbraw/zinc/22/48/49/498224849.db2.gz NZWHVHPPDVRIQV-AUUYWEPGSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991083 498224853 /nfs/dbraw/zinc/22/48/53/498224853.db2.gz NZWHVHPPDVRIQV-AUUYWEPGSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292991083 498224857 /nfs/dbraw/zinc/22/48/57/498224857.db2.gz NZWHVHPPDVRIQV-AUUYWEPGSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292991083 498224863 /nfs/dbraw/zinc/22/48/63/498224863.db2.gz NZWHVHPPDVRIQV-AUUYWEPGSA-N 2 2 371.441 3.124 20 5 FGBDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353369 499423988 /nfs/dbraw/zinc/42/39/88/499423988.db2.gz FMKLXCASCXEVSG-XYPHTWIQSA-N 2 2 367.877 3.227 20 5 FGBDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372353369 499423990 /nfs/dbraw/zinc/42/39/90/499423990.db2.gz FMKLXCASCXEVSG-XYPHTWIQSA-N 2 2 367.877 3.227 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000377642237 499714331 /nfs/dbraw/zinc/71/43/31/499714331.db2.gz BHQBYAYRVJCOJO-GDBMZVCRSA-N 2 2 358.467 3.435 20 5 FGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000377642237 499714333 /nfs/dbraw/zinc/71/43/33/499714333.db2.gz BHQBYAYRVJCOJO-GDBMZVCRSA-N 2 2 358.467 3.435 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000414876804 499840400 /nfs/dbraw/zinc/84/04/00/499840400.db2.gz DYQZJPIJEYJZPZ-PMACEKPBSA-N 2 2 355.438 3.147 20 5 FGBDLP CC1(C)C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423237473 500357425 /nfs/dbraw/zinc/35/74/25/500357425.db2.gz TYYPHZOXACGHDA-SFHVURJKSA-N 2 2 367.453 3.234 20 5 FGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000449212495 500949209 /nfs/dbraw/zinc/94/92/09/500949209.db2.gz SYKDOUJZRAXDQN-CRAIPNDOSA-N 2 2 369.469 3.173 20 5 FGBDLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000467843128 501889688 /nfs/dbraw/zinc/88/96/88/501889688.db2.gz UZALTVONXBWMQL-MRXNPFEDSA-N 2 2 355.438 3.278 20 5 FGBDLP C[C@H]1C[NH+](CC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000507916962 503395058 /nfs/dbraw/zinc/39/50/58/503395058.db2.gz FZYOTLXIXDETGF-GJZGRUSLSA-N 2 2 365.449 3.055 20 5 FGBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092555 503665779 /nfs/dbraw/zinc/66/57/79/503665779.db2.gz WZWGCGUGYRXQPE-AUUYWEPGSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092555 503665786 /nfs/dbraw/zinc/66/57/86/503665786.db2.gz WZWGCGUGYRXQPE-AUUYWEPGSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092555 503665792 /nfs/dbraw/zinc/66/57/92/503665792.db2.gz WZWGCGUGYRXQPE-AUUYWEPGSA-N 2 2 371.437 3.389 20 5 FGBDLP COc1ccc(-c2ccc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092555 503665797 /nfs/dbraw/zinc/66/57/97/503665797.db2.gz WZWGCGUGYRXQPE-AUUYWEPGSA-N 2 2 371.437 3.389 20 5 FGBDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000540756959 503881998 /nfs/dbraw/zinc/88/19/98/503881998.db2.gz BMIXMWGCQKTXMK-KSSFIOAISA-N 2 2 355.442 3.303 20 5 FGBDLP O=[N+]([O-])c1c(NC2CC[NH+](C3CCOCC3)CC2)ccc2c[nH+]ccc21 ZINC000603409197 506506644 /nfs/dbraw/zinc/50/66/44/506506644.db2.gz WDLQPFLHFDAPHZ-UHFFFAOYSA-N 2 2 356.426 3.198 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000593735008 506753582 /nfs/dbraw/zinc/75/35/82/506753582.db2.gz UDAOTNQYOVLMAB-AAEUAGOBSA-N 2 2 373.400 3.154 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000593735008 506753589 /nfs/dbraw/zinc/75/35/89/506753589.db2.gz UDAOTNQYOVLMAB-AAEUAGOBSA-N 2 2 373.400 3.154 20 5 FGBDLP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000593735009 506753784 /nfs/dbraw/zinc/75/37/84/506753784.db2.gz UDAOTNQYOVLMAB-DGCLKSJQSA-N 2 2 373.400 3.154 20 5 FGBDLP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000593735009 506753793 /nfs/dbraw/zinc/75/37/93/506753793.db2.gz UDAOTNQYOVLMAB-DGCLKSJQSA-N 2 2 373.400 3.154 20 5 FGBDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893101146 742110128 /nfs/dbraw/zinc/11/01/28/742110128.db2.gz IWGNMWLJHMAFSY-UHFFFAOYSA-N 2 2 355.866 3.227 20 5 FGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000893114117 742112165 /nfs/dbraw/zinc/11/21/65/742112165.db2.gz RKXTZNUITWNCQV-FUHWJXTLSA-N 2 2 367.877 3.106 20 5 FGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCC3(F)F)o2)cc1 ZINC000903955366 743904868 /nfs/dbraw/zinc/90/48/68/743904868.db2.gz PYYGDWCOTAKQJZ-CYBMUJFWSA-N 2 2 351.353 3.189 20 5 FGBDLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060658837 493950285 /nfs/dbraw/zinc/95/02/85/493950285.db2.gz WJPNVGXMWVXBMQ-OAHLLOKOSA-N 2 2 373.457 3.021 20 5 FGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131923174 494775515 /nfs/dbraw/zinc/77/55/15/494775515.db2.gz GHOSMPBRTRMNTQ-SFHVURJKSA-N 2 2 357.410 3.430 20 5 FGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131923174 494775520 /nfs/dbraw/zinc/77/55/20/494775520.db2.gz GHOSMPBRTRMNTQ-SFHVURJKSA-N 2 2 357.410 3.430 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393658 495574076 /nfs/dbraw/zinc/57/40/76/495574076.db2.gz QNVPZXAHKUIUKH-WBVHZDCISA-N 2 2 365.474 3.001 20 5 FGBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393658 495574081 /nfs/dbraw/zinc/57/40/81/495574081.db2.gz QNVPZXAHKUIUKH-WBVHZDCISA-N 2 2 365.474 3.001 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182721124 495676072 /nfs/dbraw/zinc/67/60/72/495676072.db2.gz NCIDZMTUIYZJNF-OTWHNJEPSA-N 2 2 374.529 3.455 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182721124 495676078 /nfs/dbraw/zinc/67/60/78/495676078.db2.gz NCIDZMTUIYZJNF-OTWHNJEPSA-N 2 2 374.529 3.455 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182769358 495696551 /nfs/dbraw/zinc/69/65/51/495696551.db2.gz GITIRCITMMMAPZ-MJGOQNOKSA-N 2 2 360.502 3.066 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000182769358 495696556 /nfs/dbraw/zinc/69/65/56/495696556.db2.gz GITIRCITMMMAPZ-MJGOQNOKSA-N 2 2 360.502 3.066 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182769378 495696800 /nfs/dbraw/zinc/69/68/00/495696800.db2.gz GITIRCITMMMAPZ-HKUYNNGSSA-N 2 2 360.502 3.066 20 5 FGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000182769378 495696817 /nfs/dbraw/zinc/69/68/17/495696817.db2.gz GITIRCITMMMAPZ-HKUYNNGSSA-N 2 2 360.502 3.066 20 5 FGBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000580694286 505815781 /nfs/dbraw/zinc/81/57/81/505815781.db2.gz MLOOAHQLRPUMCZ-ZWKOTPCHSA-N 2 2 366.425 3.251 20 5 FGBDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278820411 497231409 /nfs/dbraw/zinc/23/14/09/497231409.db2.gz TXRVBLFSBHTEHT-UHFFFAOYSA-N 2 2 354.332 3.364 20 5 FGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000237980348 497322983 /nfs/dbraw/zinc/32/29/83/497322983.db2.gz XOBZOKAUINLOSV-UHFFFAOYSA-N 2 2 370.409 3.257 20 5 FGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000361755239 498426347 /nfs/dbraw/zinc/42/63/47/498426347.db2.gz KGUCFGUHUPNZFJ-UFYCRDLUSA-N 2 2 373.497 3.006 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000582072857 506127285 /nfs/dbraw/zinc/12/72/85/506127285.db2.gz LRDWFIQXBWKDMT-FCUDFIOSSA-N 2 2 359.470 3.185 20 5 FGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000582072857 506127287 /nfs/dbraw/zinc/12/72/87/506127287.db2.gz LRDWFIQXBWKDMT-FCUDFIOSSA-N 2 2 359.470 3.185 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000430233151 500212643 /nfs/dbraw/zinc/21/26/43/500212643.db2.gz JOPJTKVRNMHGKN-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000430233151 500212646 /nfs/dbraw/zinc/21/26/46/500212646.db2.gz JOPJTKVRNMHGKN-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000430233151 500212650 /nfs/dbraw/zinc/21/26/50/500212650.db2.gz JOPJTKVRNMHGKN-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000430233151 500212654 /nfs/dbraw/zinc/21/26/54/500212654.db2.gz JOPJTKVRNMHGKN-KDURUIRLSA-N 2 2 367.449 3.167 20 5 FGBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000422638444 500284517 /nfs/dbraw/zinc/28/45/17/500284517.db2.gz QEVSVGQLLPWDBZ-WZRBSPASSA-N 2 2 373.400 3.010 20 5 FGBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000422638444 500284520 /nfs/dbraw/zinc/28/45/20/500284520.db2.gz QEVSVGQLLPWDBZ-WZRBSPASSA-N 2 2 373.400 3.010 20 5 FGBDLP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000420979122 500546232 /nfs/dbraw/zinc/54/62/32/500546232.db2.gz UXULPQLWJFKYJH-UHFFFAOYSA-N 2 2 369.465 3.452 20 5 FGBDLP Cc1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000447538980 500620030 /nfs/dbraw/zinc/62/00/30/500620030.db2.gz DWVYWMDOZGLAJM-FHWLQOOXSA-N 2 2 371.485 3.476 20 5 FGBDLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C[NH3+])C1 ZINC000435372330 500961591 /nfs/dbraw/zinc/96/15/91/500961591.db2.gz RFKJYDARAGXQJG-HZPDHXFCSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C[NH3+])C1 ZINC000435372330 500961592 /nfs/dbraw/zinc/96/15/92/500961592.db2.gz RFKJYDARAGXQJG-HZPDHXFCSA-N 2 2 361.467 3.261 20 5 FGBDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000466460767 502576241 /nfs/dbraw/zinc/57/62/41/502576241.db2.gz FMDQISHIIGDAJA-UHFFFAOYSA-N 2 2 357.801 3.427 20 5 FGBDLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136646 502579184 /nfs/dbraw/zinc/57/91/84/502579184.db2.gz VSURXHLCMKJNGF-LEWJYISDSA-N 2 2 369.465 3.273 20 5 FGBDLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136646 502579185 /nfs/dbraw/zinc/57/91/85/502579185.db2.gz VSURXHLCMKJNGF-LEWJYISDSA-N 2 2 369.465 3.273 20 5 FGBDLP CC[NH+](CC)CCCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535989391 504600933 /nfs/dbraw/zinc/60/09/33/504600933.db2.gz VNEDYWBDODGHRH-UHFFFAOYSA-N 2 2 357.458 3.316 20 5 FGBDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000566500869 505190585 /nfs/dbraw/zinc/19/05/85/505190585.db2.gz MMXHDXMYEGYCDP-JKSUJKDBSA-N 2 2 362.474 3.022 20 5 FGBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000594495284 507154406 /nfs/dbraw/zinc/15/44/06/507154406.db2.gz SWKDOVSBVGVLII-LJQANCHMSA-N 2 2 352.438 3.231 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000602515759 507735235 /nfs/dbraw/zinc/73/52/35/507735235.db2.gz DFLZTBZKSUECKW-ZJUUUORDSA-N 2 2 360.277 3.135 20 5 FGBDLP O=[N+]([O-])c1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000602515759 507735238 /nfs/dbraw/zinc/73/52/38/507735238.db2.gz DFLZTBZKSUECKW-ZJUUUORDSA-N 2 2 360.277 3.135 20 5 FGBDLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000158851430 705202047 /nfs/dbraw/zinc/20/20/47/705202047.db2.gz JOAWYIWTUVIEBI-UHFFFAOYSA-N 2 2 356.264 3.320 20 5 FGBDLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872030302 735579157 /nfs/dbraw/zinc/57/91/57/735579157.db2.gz CLKWYUSIWUDCEU-CQSZACIVSA-N 2 2 367.515 3.468 20 5 FGBDLP Cc1cc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000027545057 494871760 /nfs/dbraw/zinc/87/17/60/494871760.db2.gz UQPBYIJEYGSXMM-UHFFFAOYSA-N 2 2 355.442 3.139 20 5 FGBDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414877074 499840473 /nfs/dbraw/zinc/84/04/73/499840473.db2.gz FLJNWGCDMBZCOD-OALUTQOASA-N 2 2 355.438 3.147 20 5 FGBDLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC[NH2+]1 ZINC000414948550 499847945 /nfs/dbraw/zinc/84/79/45/499847945.db2.gz XPZKRCXZJJOVDF-SFHVURJKSA-N 2 2 361.467 3.182 20 5 FGBDLP C[NH+](C)CCOc1cc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000413211080 499927566 /nfs/dbraw/zinc/92/75/66/499927566.db2.gz HIPKZVSAYBRSSC-UHFFFAOYSA-N 2 2 367.409 3.091 20 5 FGBDLP CC[NH+]1CCC(N2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377867 500032751 /nfs/dbraw/zinc/03/27/51/500032751.db2.gz SGLJWDBVOGKBSO-YVMONPNESA-N 2 2 372.513 3.100 20 5 FGBDLP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377867 500032753 /nfs/dbraw/zinc/03/27/53/500032753.db2.gz SGLJWDBVOGKBSO-YVMONPNESA-N 2 2 372.513 3.100 20 5 FGBDLP CC[NH+]1CCC([N@@H+]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377867 500032756 /nfs/dbraw/zinc/03/27/56/500032756.db2.gz SGLJWDBVOGKBSO-YVMONPNESA-N 2 2 372.513 3.100 20 5 FGBDLP CC[NH+]1CCC([N@H+]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377867 500032758 /nfs/dbraw/zinc/03/27/58/500032758.db2.gz SGLJWDBVOGKBSO-YVMONPNESA-N 2 2 372.513 3.100 20 5 FGBDLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447511987 500614678 /nfs/dbraw/zinc/61/46/78/500614678.db2.gz WICNRARMVVZDTI-IPMKNSEASA-N 2 2 371.485 3.038 20 5 FGBDLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C[NH3+])C1 ZINC000435372326 500961461 /nfs/dbraw/zinc/96/14/61/500961461.db2.gz RFKJYDARAGXQJG-CVEARBPZSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C[NH3+])C1 ZINC000435372326 500961463 /nfs/dbraw/zinc/96/14/63/500961463.db2.gz RFKJYDARAGXQJG-CVEARBPZSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000435376634 500963292 /nfs/dbraw/zinc/96/32/92/500963292.db2.gz SGGQIQOMSVHPHH-UONOGXRCSA-N 2 2 361.467 3.261 20 5 FGBDLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000435376634 500963294 /nfs/dbraw/zinc/96/32/94/500963294.db2.gz SGGQIQOMSVHPHH-UONOGXRCSA-N 2 2 361.467 3.261 20 5 FGBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602655207 506247955 /nfs/dbraw/zinc/24/79/55/506247955.db2.gz FQLQZBSDZPRETC-JTQLQIEISA-N 2 2 362.293 3.239 20 5 FGBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602655207 506247959 /nfs/dbraw/zinc/24/79/59/506247959.db2.gz FQLQZBSDZPRETC-JTQLQIEISA-N 2 2 362.293 3.239 20 5 FGBDLP COc1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)c([N+](=O)[O-])c1 ZINC000494413568 503537932 /nfs/dbraw/zinc/53/79/32/503537932.db2.gz NJBNXSOBSLUVJV-ZDUSSCGKSA-N 2 2 368.393 3.165 20 5 FGBDLP [NH3+]Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(F)c1 ZINC000593318375 506535813 /nfs/dbraw/zinc/53/58/13/506535813.db2.gz OJHVKCRJSVPWLW-UHFFFAOYSA-N 2 2 355.316 3.084 20 5 FGBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000609574949 506927798 /nfs/dbraw/zinc/92/77/98/506927798.db2.gz AKAJPTQHODNCCY-CYBMUJFWSA-N 2 2 372.391 3.194 20 5 FGBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000609574949 506927801 /nfs/dbraw/zinc/92/78/01/506927801.db2.gz AKAJPTQHODNCCY-CYBMUJFWSA-N 2 2 372.391 3.194 20 5 FGBDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602523756 507736105 /nfs/dbraw/zinc/73/61/05/507736105.db2.gz HCDMTERZDNWJSR-JTQLQIEISA-N 2 2 362.293 3.240 20 5 FGBDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602523756 507736110 /nfs/dbraw/zinc/73/61/10/507736110.db2.gz HCDMTERZDNWJSR-JTQLQIEISA-N 2 2 362.293 3.240 20 5 FGBDLP