smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]CC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000347037097 1016692722 /nfs/dbraw/zinc/69/27/22/1016692722.db2.gz FTBTWRNUQBGMBQ-UHFFFAOYSA-N 2 0 319.449 3.540 20 5 DHBDRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125910222 1032723175 /nfs/dbraw/zinc/72/31/75/1032723175.db2.gz QEVPBCUAWFOHBF-QAPCUYQASA-N 2 0 319.449 3.756 20 5 DHBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153716543 1020555008 /nfs/dbraw/zinc/55/50/08/1020555008.db2.gz LVNQUCTUKKRMSU-LSDHHAIUSA-N 2 0 307.438 3.756 20 5 DHBDRP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414185540 1020973220 /nfs/dbraw/zinc/97/32/20/1020973220.db2.gz OXRVKRGZQWDKCP-CRAIPNDOSA-N 2 0 319.449 3.758 20 5 DHBDRP CC(C)c1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000355719417 1027096958 /nfs/dbraw/zinc/09/69/58/1027096958.db2.gz BQASSAMHXTYFCF-UHFFFAOYSA-N 2 0 319.449 3.540 20 5 DHBDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423290464 1027486897 /nfs/dbraw/zinc/48/68/97/1027486897.db2.gz DBURMLKEMWNAJR-KBPBESRZSA-N 2 0 313.401 3.774 20 5 DHBDRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872091402 1031487640 /nfs/dbraw/zinc/48/76/40/1031487640.db2.gz HDVDMAAJNGJNTF-POZPTJLLSA-N 2 0 323.412 3.647 20 5 DHBDRP Cc1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000483186837 1035240343 /nfs/dbraw/zinc/24/03/43/1035240343.db2.gz SBWJANMXSQKIPP-PBHICJAKSA-N 2 0 321.465 3.920 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000490103797 1037603705 /nfs/dbraw/zinc/60/37/05/1037603705.db2.gz QTZMEXCGEOEUIG-CVEARBPZSA-N 2 0 319.449 3.770 20 5 DHBDRP C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000122139765 132161385 /nfs/dbraw/zinc/16/13/85/132161385.db2.gz DGRYTYCPHDKOSI-LBPRGKRZSA-N 2 0 305.422 3.555 20 5 DHBDRP CCC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000414193719 333911905 /nfs/dbraw/zinc/91/19/05/333911905.db2.gz UPPBKJDSWDWPFT-GOSISDBHSA-N 2 0 324.384 3.874 20 5 DHBDRP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000321477760 337270640 /nfs/dbraw/zinc/27/06/40/337270640.db2.gz ATJWBJSDEHGCGR-MAUKXSAKSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000423430855 337718826 /nfs/dbraw/zinc/71/88/26/337718826.db2.gz USFQRUZWRZTMCP-MPGHIAIKSA-N 2 0 319.449 3.791 20 5 DHBDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178655091 340451378 /nfs/dbraw/zinc/45/13/78/340451378.db2.gz CWAMUNRVVGTVDM-MRXNPFEDSA-N 2 0 319.449 3.902 20 5 DHBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245470528 341295923 /nfs/dbraw/zinc/29/59/23/341295923.db2.gz WLZWQHRNNABGJN-HZPDHXFCSA-N 2 0 319.449 3.900 20 5 DHBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245470529 341295997 /nfs/dbraw/zinc/29/59/97/341295997.db2.gz WLZWQHRNNABGJN-JKSUJKDBSA-N 2 0 319.449 3.900 20 5 DHBDRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125910007 1032723420 /nfs/dbraw/zinc/72/34/20/1032723420.db2.gz QEVPBCUAWFOHBF-MAUKXSAKSA-N 2 0 319.449 3.756 20 5 DHBDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423142610 1027433462 /nfs/dbraw/zinc/43/34/62/1027433462.db2.gz AUDFXRAEUMRQFX-OFQRWUPVSA-N 2 0 305.422 3.556 20 5 DHBDRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502543 1027567028 /nfs/dbraw/zinc/56/70/28/1027567028.db2.gz MBFKHVLLVRHHJH-KBXCAEBGSA-N 2 0 313.401 3.726 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516783 1030342823 /nfs/dbraw/zinc/34/28/23/1030342823.db2.gz UJGIGGJNAZPULP-KSTDHSDQSA-N 2 0 319.449 3.817 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000873259262 1031776489 /nfs/dbraw/zinc/77/64/89/1031776489.db2.gz AXOBKEAWNVWOBP-NOVWEMISSA-N 2 0 317.433 3.556 20 5 DHBDRP Cc1c([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000483195229 1035238990 /nfs/dbraw/zinc/23/89/90/1035238990.db2.gz JMEGLCSUBKEEFX-RHSMWYFYSA-N 2 0 321.465 3.920 20 5 DHBDRP Cc1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000483186839 1035240052 /nfs/dbraw/zinc/24/00/52/1035240052.db2.gz SBWJANMXSQKIPP-RHSMWYFYSA-N 2 0 321.465 3.920 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000490103806 1037603063 /nfs/dbraw/zinc/60/30/63/1037603063.db2.gz QTZMEXCGEOEUIG-JKSUJKDBSA-N 2 0 319.449 3.770 20 5 DHBDRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640009 337165707 /nfs/dbraw/zinc/16/57/07/337165707.db2.gz JNGBAFLPQHFACT-AWEZNQCLSA-N 2 0 313.401 3.507 20 5 DHBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122129653 535520236 /nfs/dbraw/zinc/52/02/36/535520236.db2.gz GRJTYBDQLHRZGB-CABCVRRESA-N 2 0 307.438 3.756 20 5 DHBDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000121730187 1016220541 /nfs/dbraw/zinc/22/05/41/1016220541.db2.gz SIBOPYPZSSAVAI-HNNXBMFYSA-N 2 0 319.449 3.676 20 5 DHBDRP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000370671224 1019711174 /nfs/dbraw/zinc/71/11/74/1019711174.db2.gz OPRITEJKMGTBPS-NUJGCVRESA-N 2 0 317.433 3.652 20 5 DHBDRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423207653 1027445566 /nfs/dbraw/zinc/44/55/66/1027445566.db2.gz XYWLYWQCUXZAJW-LBPRGKRZSA-N 2 0 319.430 3.583 20 5 DHBDRP Cc1c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000423295708 1027504784 /nfs/dbraw/zinc/50/47/84/1027504784.db2.gz XIAQLTMNXZSQJR-KBPBESRZSA-N 2 0 313.401 3.774 20 5 DHBDRP Cc1c([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000866516692 1030341082 /nfs/dbraw/zinc/34/10/82/1030341082.db2.gz SLPMJVTWGCRELU-SYJJWHGVSA-N 2 0 319.449 3.817 20 5 DHBDRP CCC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000873259261 1031777014 /nfs/dbraw/zinc/77/70/14/1031777014.db2.gz AXOBKEAWNVWOBP-DNMXQMFDSA-N 2 0 317.433 3.556 20 5 DHBDRP [NH3+]C1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOCC1 ZINC000863646061 1034162948 /nfs/dbraw/zinc/16/29/48/1034162948.db2.gz PLWHUQRQKMLFPE-UHFFFAOYSA-N 2 0 320.436 3.591 20 5 DHBDRP Cc1c([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000159614898 1035073531 /nfs/dbraw/zinc/07/35/31/1035073531.db2.gz JGEAWTYSNYSCIU-CYBMUJFWSA-N 2 0 319.449 3.863 20 5 DHBDRP Cc1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000483186841 1035239864 /nfs/dbraw/zinc/23/98/64/1035239864.db2.gz SBWJANMXSQKIPP-WMLDXEAASA-N 2 0 321.465 3.920 20 5 DHBDRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000161098660 1035297475 /nfs/dbraw/zinc/29/74/75/1035297475.db2.gz LWCNOHFBPNOSBP-ZOBUZTSGSA-N 2 0 305.422 3.508 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000490103800 1037605258 /nfs/dbraw/zinc/60/52/58/1037605258.db2.gz QTZMEXCGEOEUIG-HOTGVXAUSA-N 2 0 319.449 3.770 20 5 DHBDRP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000121119412 1014997595 /nfs/dbraw/zinc/99/75/95/1014997595.db2.gz HUNDVAFZWSHFAC-CQSZACIVSA-N 2 0 322.368 3.631 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000531714647 1024279824 /nfs/dbraw/zinc/27/98/24/1024279824.db2.gz ZVLHAFHTVLNTFV-PBHICJAKSA-N 2 0 321.465 3.920 20 5 DHBDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423290465 1027485772 /nfs/dbraw/zinc/48/57/72/1027485772.db2.gz DBURMLKEMWNAJR-KGLIPLIRSA-N 2 0 313.401 3.774 20 5 DHBDRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000278408488 130689948 /nfs/dbraw/zinc/68/99/48/130689948.db2.gz HJUARYURKPDYET-SFHVURJKSA-N 2 0 317.433 3.510 20 5 DHBDRP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122145209 132161897 /nfs/dbraw/zinc/16/18/97/132161897.db2.gz JNMUDWDYOPJSEH-ZDUSSCGKSA-N 2 0 324.384 3.604 20 5 DHBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122129856 132161913 /nfs/dbraw/zinc/16/19/13/132161913.db2.gz GRJTYBDQLHRZGB-GJZGRUSLSA-N 2 0 307.438 3.756 20 5 DHBDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000415025807 334259882 /nfs/dbraw/zinc/25/98/82/334259882.db2.gz RTCBPONDSNXBDO-GFCCVEGCSA-N 2 0 319.430 3.540 20 5 DHBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246999335 341359815 /nfs/dbraw/zinc/35/98/15/341359815.db2.gz KOEFYIJWZGKYOR-JKSUJKDBSA-N 2 0 319.449 3.758 20 5 DHBDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052209339 1018218715 /nfs/dbraw/zinc/21/87/15/1018218715.db2.gz WPQDJKPFQNBAOF-UHFFFAOYSA-N 2 0 319.449 3.539 20 5 DHBDRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353520540 1025101251 /nfs/dbraw/zinc/10/12/51/1025101251.db2.gz PKIIEKLDLSCYQD-VMBOVVBDSA-N 2 0 305.422 3.508 20 5 DHBDRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502545 1027568477 /nfs/dbraw/zinc/56/84/77/1027568477.db2.gz MBFKHVLLVRHHJH-KDOFPFPSSA-N 2 0 313.401 3.726 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516786 1030341253 /nfs/dbraw/zinc/34/12/53/1030341253.db2.gz UJGIGGJNAZPULP-SYJJWHGVSA-N 2 0 319.449 3.817 20 5 DHBDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563135016 333395592 /nfs/dbraw/zinc/39/55/92/333395592.db2.gz BVCDBVKRPVBSLG-RYUDHWBXSA-N 2 0 319.430 3.539 20 5 DHBDRP CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000361971894 336780593 /nfs/dbraw/zinc/78/05/93/336780593.db2.gz NWTDHFHPPIUYJL-NUJGCVRESA-N 2 0 319.449 3.898 20 5 DHBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247244178 1013801616 /nfs/dbraw/zinc/80/16/16/1013801616.db2.gz ZJTSNOLPENJHFE-DOTOQJQBSA-N 2 0 317.433 3.606 20 5 DHBDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293768029 1012010033 /nfs/dbraw/zinc/01/00/33/1012010033.db2.gz RVVCVWDCECNCPE-OAHLLOKOSA-N 2 0 305.422 3.512 20 5 DHBDRP Cc1c([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000483195231 1035238669 /nfs/dbraw/zinc/23/86/69/1035238669.db2.gz JMEGLCSUBKEEFX-WMLDXEAASA-N 2 0 321.465 3.920 20 5 DHBDRP CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000414709947 334072149 /nfs/dbraw/zinc/07/21/49/334072149.db2.gz FPSDWKNZYJPWBI-MRXNPFEDSA-N 2 0 319.449 3.682 20 5 DHBDRP CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423456326 337720415 /nfs/dbraw/zinc/72/04/15/337720415.db2.gz GKOOHWWDQQACKV-KMFMINBZSA-N 2 0 305.422 3.543 20 5 DHBDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173325499 340362313 /nfs/dbraw/zinc/36/23/13/340362313.db2.gz LIOGLZZRUHXNCZ-INIZCTEOSA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173325064 340362374 /nfs/dbraw/zinc/36/23/74/340362374.db2.gz LKXJDAYGDLBFKO-CVEARBPZSA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123398268 1022396383 /nfs/dbraw/zinc/39/63/83/1022396383.db2.gz HBIBEURIYAARTQ-HNNXBMFYSA-N 2 0 319.449 3.710 20 5 DHBDRP CCC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000321111051 1024661997 /nfs/dbraw/zinc/66/19/97/1024661997.db2.gz JSERTQILZYCBHM-SFHVURJKSA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423301962 1027502948 /nfs/dbraw/zinc/50/29/48/1027502948.db2.gz UTWHUHYTORPXAE-RYUDHWBXSA-N 2 0 319.430 3.569 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122703668 1037154938 /nfs/dbraw/zinc/15/49/38/1037154938.db2.gz SHUAAOJOVRMMEP-HNNXBMFYSA-N 2 0 319.449 3.676 20 5 DHBDRP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000593323026 1040714219 /nfs/dbraw/zinc/71/42/19/1040714219.db2.gz OKBRROPKHWYFDE-SFHVURJKSA-N 2 0 313.401 3.555 20 5 DHBDRP CC(C)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000449528623 332372027 /nfs/dbraw/zinc/37/20/27/332372027.db2.gz QSAAJUWHHRBFIL-UHFFFAOYSA-N 2 0 321.465 3.928 20 5 DHBDRP CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000361971895 336780509 /nfs/dbraw/zinc/78/05/09/336780509.db2.gz NWTDHFHPPIUYJL-RYRKJORJSA-N 2 0 319.449 3.898 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122764400 337023515 /nfs/dbraw/zinc/02/35/15/337023515.db2.gz RFDFZMCABKSDID-GOSISDBHSA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423517015 337724371 /nfs/dbraw/zinc/72/43/71/337724371.db2.gz YKKBEMFWTJJLPV-KBXCAEBGSA-N 2 0 313.401 3.726 20 5 DHBDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173325518 340362445 /nfs/dbraw/zinc/36/24/45/340362445.db2.gz LIOGLZZRUHXNCZ-MRXNPFEDSA-N 2 0 319.449 3.758 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233617 341498505 /nfs/dbraw/zinc/49/85/05/341498505.db2.gz RBRZBKXOGOZWHZ-INIZCTEOSA-N 2 0 319.449 3.820 20 5 DHBDRP Cc1c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000556234144 341498526 /nfs/dbraw/zinc/49/85/26/341498526.db2.gz VEQSUPMXZRUFJW-INIZCTEOSA-N 2 0 319.449 3.820 20 5 DHBDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524156028 1017906582 /nfs/dbraw/zinc/90/65/82/1017906582.db2.gz BOOVVCRRDGMTTD-HNNXBMFYSA-N 2 0 319.449 3.708 20 5 DHBDRP CCC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000414193720 1020981171 /nfs/dbraw/zinc/98/11/71/1020981171.db2.gz UPPBKJDSWDWPFT-SFHVURJKSA-N 2 0 324.384 3.874 20 5 DHBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123398483 1022372127 /nfs/dbraw/zinc/37/21/27/1022372127.db2.gz HBIBEURIYAARTQ-OAHLLOKOSA-N 2 0 319.449 3.710 20 5 DHBDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000052209347 1026259943 /nfs/dbraw/zinc/25/99/43/1026259943.db2.gz GJRPHAUSZSMTCA-UHFFFAOYSA-N 2 0 319.449 3.539 20 5 DHBDRP CCC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421866094 1027070932 /nfs/dbraw/zinc/07/09/32/1027070932.db2.gz ADXRNKBOHQAURO-LEOMRAHMSA-N 2 0 319.449 3.898 20 5 DHBDRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423517023 1027578242 /nfs/dbraw/zinc/57/82/42/1027578242.db2.gz YKKBEMFWTJJLPV-KSSFIOAISA-N 2 0 313.401 3.726 20 5 DHBDRP CC(C)[NH+](CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449190824 1028430789 /nfs/dbraw/zinc/43/07/89/1028430789.db2.gz WRMCBWHQPRUXPP-MRXNPFEDSA-N 2 0 321.465 3.624 20 5 DHBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217067 1033597226 /nfs/dbraw/zinc/59/72/26/1033597226.db2.gz KSAGQHBBPRYFHG-JKSUJKDBSA-N 2 0 321.465 3.626 20 5 DHBDRP CC(C)[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173223605 1033604043 /nfs/dbraw/zinc/60/40/43/1033604043.db2.gz IXMUMTKMECGLET-XIRDDKMYSA-N 2 0 319.449 3.506 20 5 DHBDRP Cc1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000483186843 1035240103 /nfs/dbraw/zinc/24/01/03/1035240103.db2.gz SBWJANMXSQKIPP-YOEHRIQHSA-N 2 0 321.465 3.920 20 5 DHBDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044412 332032443 /nfs/dbraw/zinc/03/24/43/332032443.db2.gz PIEAWGXVNYECCS-HNNXBMFYSA-N 2 0 319.449 3.710 20 5 DHBDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000415025809 334259835 /nfs/dbraw/zinc/25/98/35/334259835.db2.gz RTCBPONDSNXBDO-LBPRGKRZSA-N 2 0 319.430 3.540 20 5 DHBDRP CCC[N@H+](CCC[NH+](C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000583032642 337231545 /nfs/dbraw/zinc/23/15/45/337231545.db2.gz ZJBJRJGZUULBPM-SSZFMOIBSA-N 2 0 319.449 3.662 20 5 DHBDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423301960 337711088 /nfs/dbraw/zinc/71/10/88/337711088.db2.gz UTWHUHYTORPXAE-NEPJUHHUSA-N 2 0 319.430 3.569 20 5 DHBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173324923 340362336 /nfs/dbraw/zinc/36/23/36/340362336.db2.gz WLZWQHRNNABGJN-HOTGVXAUSA-N 2 0 319.449 3.900 20 5 DHBDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000158198837 1016678904 /nfs/dbraw/zinc/67/89/04/1016678904.db2.gz PVXRJQPHVPAUHV-MRXNPFEDSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000340474382 1018698917 /nfs/dbraw/zinc/69/89/17/1018698917.db2.gz IHIBYAILGSEJEI-SFHVURJKSA-N 2 0 319.449 3.902 20 5 DHBDRP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414185543 1020972925 /nfs/dbraw/zinc/97/29/25/1020972925.db2.gz OXRVKRGZQWDKCP-YJBOKZPZSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423238824 1027459826 /nfs/dbraw/zinc/45/98/26/1027459826.db2.gz JOORDCJSNBRLOM-ZWKOTPCHSA-N 2 0 313.401 3.726 20 5 DHBDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927036661 1031045620 /nfs/dbraw/zinc/04/56/20/1031045620.db2.gz FGGPEWKYORMJDZ-NXVRBGIVSA-N 2 0 317.433 3.652 20 5 DHBDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872039717 1031424140 /nfs/dbraw/zinc/42/41/40/1031424140.db2.gz UTFCDWWYDUVPNI-ZDUSSCGKSA-N 2 0 323.412 3.507 20 5 DHBDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000482144689 1035064312 /nfs/dbraw/zinc/06/43/12/1035064312.db2.gz RBRNWMUNKYQIQP-SJORKVTESA-N 2 0 319.449 3.585 20 5 DHBDRP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068650 1039024426 /nfs/dbraw/zinc/02/44/26/1039024426.db2.gz BLMKLBMPQPQHJZ-YJBOKZPZSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068647 1039025565 /nfs/dbraw/zinc/02/55/65/1039025565.db2.gz BLMKLBMPQPQHJZ-CRAIPNDOSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000321477763 337270538 /nfs/dbraw/zinc/27/05/38/337270538.db2.gz ATJWBJSDEHGCGR-YJBOKZPZSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423279829 337709227 /nfs/dbraw/zinc/70/92/27/337709227.db2.gz SPJRSFQWMCKWGB-XIRDDKMYSA-N 2 0 305.422 3.543 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000423430854 337718775 /nfs/dbraw/zinc/71/87/75/337718775.db2.gz USFQRUZWRZTMCP-IIDMSEBBSA-N 2 0 319.449 3.791 20 5 DHBDRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246358731 341344977 /nfs/dbraw/zinc/34/49/77/341344977.db2.gz IGDCFXTZXPQTQP-HZPDHXFCSA-N 2 0 319.449 3.613 20 5 DHBDRP C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247244189 1013800890 /nfs/dbraw/zinc/80/08/90/1013800890.db2.gz ZJTSNOLPENJHFE-NVXWUHKLSA-N 2 0 317.433 3.606 20 5 DHBDRP Cc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125820093 1032721239 /nfs/dbraw/zinc/72/12/39/1032721239.db2.gz DODNKRAYEFBQFV-HZPDHXFCSA-N 2 0 319.449 3.674 20 5 DHBDRP CCC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000125387022 1020301554 /nfs/dbraw/zinc/30/15/54/1020301554.db2.gz IEAZMBFJIXNITG-GOSISDBHSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000296009738 1024106320 /nfs/dbraw/zinc/10/63/20/1024106320.db2.gz QZYGCPILCTXZBR-YCXXCVGLSA-N 2 0 317.433 3.651 20 5 DHBDRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000866517027 1030342672 /nfs/dbraw/zinc/34/26/72/1030342672.db2.gz VCAWWIBJKRCRTL-BZOOQXSSSA-N 2 0 305.422 3.508 20 5 DHBDRP CC(C)[N@H+](CCCC1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000592477673 1039528353 /nfs/dbraw/zinc/52/83/53/1039528353.db2.gz HBRBHULKAXXROH-UHFFFAOYSA-N 2 0 319.449 3.585 20 5 DHBDRP CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000320696582 335125043 /nfs/dbraw/zinc/12/50/43/335125043.db2.gz HQEXLKSPZFEIJK-QAPCUYQASA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501772085 340088368 /nfs/dbraw/zinc/08/83/68/340088368.db2.gz VFPWWIORMGJYCW-OAHLLOKOSA-N 2 0 319.449 3.710 20 5 DHBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153716339 520636440 /nfs/dbraw/zinc/63/64/40/520636440.db2.gz LVNQUCTUKKRMSU-GJZGRUSLSA-N 2 0 307.438 3.756 20 5 DHBDRP CC(C)c1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000453604317 1024550315 /nfs/dbraw/zinc/55/03/15/1024550315.db2.gz ZEQRFRYUORTLNX-UHFFFAOYSA-N 2 0 319.449 3.682 20 5 DHBDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000293765082 1027617171 /nfs/dbraw/zinc/61/71/71/1027617171.db2.gz RPUKQWMUFKWBHT-OAHLLOKOSA-N 2 0 305.422 3.512 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000368617512 1028385762 /nfs/dbraw/zinc/38/57/62/1028385762.db2.gz ZNWJBYBWFIGEIR-HNNXBMFYSA-N 2 0 317.433 3.524 20 5 DHBDRP Cc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001175688293 1035084653 /nfs/dbraw/zinc/08/46/53/1035084653.db2.gz OYEFBJRYVQCCOI-UHFFFAOYSA-N 2 0 319.449 3.601 20 5 DHBDRP CCC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582330 1038939313 /nfs/dbraw/zinc/93/93/13/1038939313.db2.gz IMLRPSWNBHWWQC-RDJZCZTQSA-N 2 0 317.433 3.700 20 5 DHBDRP C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596652806 1040523609 /nfs/dbraw/zinc/52/36/09/1040523609.db2.gz ICMMEWZOFFMPGC-NEPJUHHUSA-N 2 0 319.430 3.582 20 5 DHBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH3+])CCCCCC1 ZINC000414857412 334130331 /nfs/dbraw/zinc/13/03/31/334130331.db2.gz DDZDPVGMVAFWTJ-HNNXBMFYSA-N 2 0 319.449 3.557 20 5 DHBDRP CCC[N@H+](CCC[NH+](C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000583032641 337231530 /nfs/dbraw/zinc/23/15/30/337231530.db2.gz ZJBJRJGZUULBPM-DTQAZKPQSA-N 2 0 319.449 3.662 20 5 DHBDRP CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423279826 337709199 /nfs/dbraw/zinc/70/91/99/337709199.db2.gz SPJRSFQWMCKWGB-BHYGNILZSA-N 2 0 305.422 3.543 20 5 DHBDRP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000423295710 337710640 /nfs/dbraw/zinc/71/06/40/337710640.db2.gz XIAQLTMNXZSQJR-UONOGXRCSA-N 2 0 313.401 3.774 20 5 DHBDRP CCC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423487770 337722413 /nfs/dbraw/zinc/72/24/13/337722413.db2.gz UQHDGRYTNDUHSK-DOTOQJQBSA-N 2 0 305.422 3.558 20 5 DHBDRP Cc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000550887423 341325854 /nfs/dbraw/zinc/32/58/54/341325854.db2.gz VYVGTNDINNQYFF-INIZCTEOSA-N 2 0 319.449 3.820 20 5 DHBDRP CCC[C@H](NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000336864119 1013019083 /nfs/dbraw/zinc/01/90/83/1013019083.db2.gz DXJKRIGQAGQWHI-SFHVURJKSA-N 2 0 319.449 3.902 20 5 DHBDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000121730517 1018373829 /nfs/dbraw/zinc/37/38/29/1018373829.db2.gz CTGRZKNYZNXRJF-HNNXBMFYSA-N 2 0 319.449 3.676 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000151119958 1026338265 /nfs/dbraw/zinc/33/82/65/1026338265.db2.gz LWNJFPACPKUDJC-CRAIPNDOSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000151119852 1026342227 /nfs/dbraw/zinc/34/22/27/1026342227.db2.gz LWNJFPACPKUDJC-MAUKXSAKSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576001579 1027543325 /nfs/dbraw/zinc/54/33/25/1027543325.db2.gz CNSSVHRFUKJABA-YOEHRIQHSA-N 2 0 319.449 3.682 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068648 1039026134 /nfs/dbraw/zinc/02/61/34/1039026134.db2.gz BLMKLBMPQPQHJZ-MAUKXSAKSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122130279 132161563 /nfs/dbraw/zinc/16/15/63/132161563.db2.gz GRJTYBDQLHRZGB-LSDHHAIUSA-N 2 0 307.438 3.756 20 5 DHBDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044413 332032498 /nfs/dbraw/zinc/03/24/98/332032498.db2.gz PIEAWGXVNYECCS-OAHLLOKOSA-N 2 0 319.449 3.710 20 5 DHBDRP CCC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423487772 337722314 /nfs/dbraw/zinc/72/23/14/337722314.db2.gz UQHDGRYTNDUHSK-RDJZCZTQSA-N 2 0 305.422 3.558 20 5 DHBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000157890439 1015199186 /nfs/dbraw/zinc/19/91/86/1015199186.db2.gz CECJOTQJQKBRRV-HOTGVXAUSA-N 2 0 319.449 3.900 20 5 DHBDRP C[C@H](NCCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322148038 1025885295 /nfs/dbraw/zinc/88/52/95/1025885295.db2.gz YGERVENLZMHCST-HNNXBMFYSA-N 2 0 319.449 3.900 20 5 DHBDRP CCC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423487773 1027570845 /nfs/dbraw/zinc/57/08/45/1027570845.db2.gz UQHDGRYTNDUHSK-WBVHZDCISA-N 2 0 305.422 3.558 20 5 DHBDRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423517025 1027577256 /nfs/dbraw/zinc/57/72/56/1027577256.db2.gz YKKBEMFWTJJLPV-RDTXWAMCSA-N 2 0 313.401 3.726 20 5 DHBDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872039716 1031423673 /nfs/dbraw/zinc/42/36/73/1031423673.db2.gz UTFCDWWYDUVPNI-CYBMUJFWSA-N 2 0 323.412 3.507 20 5 DHBDRP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+](C)C)c1 ZINC000925315697 1031755612 /nfs/dbraw/zinc/75/56/12/1031755612.db2.gz YUMVAVDTGNNAPT-CQSZACIVSA-N 2 0 313.401 3.507 20 5 DHBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCC[NH3+])C1CCCCC1 ZINC001173215677 1033598446 /nfs/dbraw/zinc/59/84/46/1033598446.db2.gz YJYPMXDVVNVSOB-OAHLLOKOSA-N 2 0 319.449 3.509 20 5 DHBDRP C[C@@H](C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CC[NH3+] ZINC001173221409 1033602837 /nfs/dbraw/zinc/60/28/37/1033602837.db2.gz NBFFKHXOPIMUDZ-HUUCEWRRSA-N 2 0 321.465 3.517 20 5 DHBDRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CC[NH3+] ZINC001173221407 1033602930 /nfs/dbraw/zinc/60/29/30/1033602930.db2.gz NBFFKHXOPIMUDZ-CABCVRRESA-N 2 0 321.465 3.517 20 5 DHBDRP Cc1c([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000159615031 1035074249 /nfs/dbraw/zinc/07/42/49/1035074249.db2.gz JGEAWTYSNYSCIU-ZDUSSCGKSA-N 2 0 319.449 3.863 20 5 DHBDRP CC(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415024796 334259879 /nfs/dbraw/zinc/25/98/79/334259879.db2.gz OFWTWWQJDNRKFZ-SHTZXODSSA-N 2 0 319.449 3.573 20 5 DHBDRP CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000361971893 336780599 /nfs/dbraw/zinc/78/05/99/336780599.db2.gz NWTDHFHPPIUYJL-JZXOWHBKSA-N 2 0 319.449 3.898 20 5 DHBDRP CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000361971886 336780606 /nfs/dbraw/zinc/78/06/06/336780606.db2.gz NWTDHFHPPIUYJL-BQFCYCMXSA-N 2 0 319.449 3.898 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122764208 337023463 /nfs/dbraw/zinc/02/34/63/337023463.db2.gz RFDFZMCABKSDID-SFHVURJKSA-N 2 0 319.449 3.758 20 5 DHBDRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423207652 337704009 /nfs/dbraw/zinc/70/40/09/337704009.db2.gz XYWLYWQCUXZAJW-GFCCVEGCSA-N 2 0 319.430 3.583 20 5 DHBDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488403227 339779796 /nfs/dbraw/zinc/77/97/96/339779796.db2.gz XRIQXCHOFFGOPI-OAHLLOKOSA-N 2 0 319.449 3.710 20 5 DHBDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000567870931 341637806 /nfs/dbraw/zinc/63/78/06/341637806.db2.gz ZKEVVCBLJWHDCO-RYUDHWBXSA-N 2 0 319.430 3.539 20 5 DHBDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000567870930 341637863 /nfs/dbraw/zinc/63/78/63/341637863.db2.gz ZKEVVCBLJWHDCO-NWDGAFQWSA-N 2 0 319.430 3.539 20 5 DHBDRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000123699230 1025393773 /nfs/dbraw/zinc/39/37/73/1025393773.db2.gz PYFCGMUURSIGCN-CQSZACIVSA-N 2 0 313.401 3.507 20 5 DHBDRP CCC1([NH3+])CC[NH+]([C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000925760345 1030485392 /nfs/dbraw/zinc/48/53/92/1030485392.db2.gz PTEFRXBICGPCCI-INIZCTEOSA-N 2 0 317.433 3.521 20 5 DHBDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072256 1031466965 /nfs/dbraw/zinc/46/69/65/1031466965.db2.gz FQHJQEVXSMQRRE-CQSZACIVSA-N 2 0 323.412 3.651 20 5 DHBDRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872091403 1031488812 /nfs/dbraw/zinc/48/88/12/1031488812.db2.gz HDVDMAAJNGJNTF-SFYCDEOASA-N 2 0 323.412 3.647 20 5 DHBDRP Cc1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cc[nH+]1 ZINC001174656495 1034556496 /nfs/dbraw/zinc/55/64/96/1034556496.db2.gz OETJWGSSELPWHR-UHFFFAOYSA-N 2 0 300.365 3.839 20 5 DHBDRP Cc1c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001177299291 1035361278 /nfs/dbraw/zinc/36/12/78/1035361278.db2.gz NVXQTVCMODMWQA-OAHLLOKOSA-N 2 0 319.449 3.647 20 5 DHBDRP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000131806320 332037242 /nfs/dbraw/zinc/03/72/42/332037242.db2.gz CGPQOUMAURDTBI-LNRIEFBSSA-N 2 0 317.433 3.569 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000122725432 337924278 /nfs/dbraw/zinc/92/42/78/337924278.db2.gz XDDHHWROVZZECM-HNNXBMFYSA-N 2 0 319.449 3.676 20 5 DHBDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488403226 339779838 /nfs/dbraw/zinc/77/98/38/339779838.db2.gz XRIQXCHOFFGOPI-HNNXBMFYSA-N 2 0 319.449 3.710 20 5 DHBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246999326 341359791 /nfs/dbraw/zinc/35/97/91/341359791.db2.gz KOEFYIJWZGKYOR-HZPDHXFCSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125909817 1032724774 /nfs/dbraw/zinc/72/47/74/1032724774.db2.gz QEVPBCUAWFOHBF-YJBOKZPZSA-N 2 0 319.449 3.756 20 5 DHBDRP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414185541 1020974094 /nfs/dbraw/zinc/97/40/94/1020974094.db2.gz OXRVKRGZQWDKCP-MAUKXSAKSA-N 2 0 319.449 3.758 20 5 DHBDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000052208639 1026258367 /nfs/dbraw/zinc/25/83/67/1026258367.db2.gz RHVNYVJEWUBIDM-UHFFFAOYSA-N 2 0 319.449 3.539 20 5 DHBDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423301961 1027502084 /nfs/dbraw/zinc/50/20/84/1027502084.db2.gz UTWHUHYTORPXAE-NWDGAFQWSA-N 2 0 319.430 3.569 20 5 DHBDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000482144687 1035063723 /nfs/dbraw/zinc/06/37/23/1035063723.db2.gz RBRNWMUNKYQIQP-IRXDYDNUSA-N 2 0 319.449 3.585 20 5 DHBDRP Cc1c([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000483195226 1035238802 /nfs/dbraw/zinc/23/88/02/1035238802.db2.gz JMEGLCSUBKEEFX-PBHICJAKSA-N 2 0 321.465 3.920 20 5 DHBDRP CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068649 1039024197 /nfs/dbraw/zinc/02/41/97/1039024197.db2.gz BLMKLBMPQPQHJZ-QAPCUYQASA-N 2 0 319.449 3.758 20 5 DHBDRP C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596652809 1040522955 /nfs/dbraw/zinc/52/29/55/1040522955.db2.gz ICMMEWZOFFMPGC-VXGBXAGGSA-N 2 0 319.430 3.582 20 5 DHBDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000415025581 334259839 /nfs/dbraw/zinc/25/98/39/334259839.db2.gz RGAKOZMZCRHURR-GFCCVEGCSA-N 2 0 319.430 3.540 20 5 DHBDRP CCC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000324056454 336046650 /nfs/dbraw/zinc/04/66/50/336046650.db2.gz BTWVJFBJEAEIFE-KRWDZBQOSA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423301963 337711171 /nfs/dbraw/zinc/71/11/71/337711171.db2.gz UTWHUHYTORPXAE-VXGBXAGGSA-N 2 0 319.430 3.569 20 5 DHBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122130102 535521874 /nfs/dbraw/zinc/52/18/74/535521874.db2.gz GRJTYBDQLHRZGB-HUUCEWRRSA-N 2 0 307.438 3.756 20 5 DHBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000157890281 1015200017 /nfs/dbraw/zinc/20/00/17/1015200017.db2.gz CECJOTQJQKBRRV-CVEARBPZSA-N 2 0 319.449 3.900 20 5 DHBDRP CC[N+](C)(C)Cc1ccccc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625347 1017712634 /nfs/dbraw/zinc/71/26/34/1017712634.db2.gz QQBKJGRMSPOVCO-UHFFFAOYSA-N 2 0 318.529 3.768 20 5 DHBDRP CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414185542 1020973815 /nfs/dbraw/zinc/97/38/15/1020973815.db2.gz OXRVKRGZQWDKCP-QAPCUYQASA-N 2 0 319.449 3.758 20 5 DHBDRP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423290948 1027485801 /nfs/dbraw/zinc/48/58/01/1027485801.db2.gz GAGCAPODHPXFBC-UGSOOPFHSA-N 2 0 313.401 3.855 20 5 DHBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576001577 1027542684 /nfs/dbraw/zinc/54/26/84/1027542684.db2.gz CNSSVHRFUKJABA-RHSMWYFYSA-N 2 0 319.449 3.682 20 5 DHBDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000927038946 1031047107 /nfs/dbraw/zinc/04/71/07/1031047107.db2.gz QHVQTUKWAZOPAX-NXVRBGIVSA-N 2 0 317.433 3.652 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872033177 1031417334 /nfs/dbraw/zinc/41/73/34/1031417334.db2.gz GFRJEJGRGXNTLM-CYBMUJFWSA-N 2 0 323.412 3.507 20 5 DHBDRP Cc1c[nH+]ccc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001174539519 1034457029 /nfs/dbraw/zinc/45/70/29/1034457029.db2.gz JOBSVXUHSYNSCX-UHFFFAOYSA-N 2 0 300.365 3.839 20 5 DHBDRP C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000152744184 1035678333 /nfs/dbraw/zinc/67/83/33/1035678333.db2.gz ODVARDWJMWARSE-GFCCVEGCSA-N 2 0 305.422 3.555 20 5 DHBDRP CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000414709946 334072179 /nfs/dbraw/zinc/07/21/79/334072179.db2.gz FPSDWKNZYJPWBI-INIZCTEOSA-N 2 0 319.449 3.682 20 5 DHBDRP CCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423279827 337709215 /nfs/dbraw/zinc/70/92/15/337709215.db2.gz SPJRSFQWMCKWGB-HYVNUMGLSA-N 2 0 305.422 3.543 20 5 DHBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173324905 340362406 /nfs/dbraw/zinc/36/24/06/340362406.db2.gz WLZWQHRNNABGJN-CVEARBPZSA-N 2 0 319.449 3.900 20 5 DHBDRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119549175 1016145548 /nfs/dbraw/zinc/14/55/48/1016145548.db2.gz DCFMLTQRIPYBAP-AWEZNQCLSA-N 2 0 313.401 3.507 20 5 DHBDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000158198676 1016678084 /nfs/dbraw/zinc/67/80/84/1016678084.db2.gz PVXRJQPHVPAUHV-INIZCTEOSA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178655072 1017560970 /nfs/dbraw/zinc/56/09/70/1017560970.db2.gz CWAMUNRVVGTVDM-INIZCTEOSA-N 2 0 319.449 3.902 20 5 DHBDRP Cc1c([C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853456 1032724252 /nfs/dbraw/zinc/72/42/52/1032724252.db2.gz BCUFXQZLZFIHLC-HZPDHXFCSA-N 2 0 319.449 3.674 20 5 DHBDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173411243 1018201129 /nfs/dbraw/zinc/20/11/29/1018201129.db2.gz ORQCWJRZIUAUAC-MRXNPFEDSA-N 2 0 319.449 3.902 20 5 DHBDRP CC[N+](C)(C)Cc1ccccc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168551169 1019045314 /nfs/dbraw/zinc/04/53/14/1019045314.db2.gz ZURRKWFAPGCOAQ-KRWDZBQOSA-N 2 0 324.492 3.867 20 5 DHBDRP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000323983356 1024681503 /nfs/dbraw/zinc/68/15/03/1024681503.db2.gz AFFKOFIRSGRHEP-ZDUSSCGKSA-N 2 0 316.405 3.592 20 5 DHBDRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502548 1027568762 /nfs/dbraw/zinc/56/87/62/1027568762.db2.gz MBFKHVLLVRHHJH-RDTXWAMCSA-N 2 0 313.401 3.726 20 5 DHBDRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121773488 1029345099 /nfs/dbraw/zinc/34/50/99/1029345099.db2.gz AZRMJBGJSZBJSE-SFHVURJKSA-N 2 0 319.449 3.758 20 5 DHBDRP CCCC[NH+]1CCC(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192844506 1034697556 /nfs/dbraw/zinc/69/75/56/1034697556.db2.gz IPKMWQDLYIDDNQ-SFHVURJKSA-N 2 0 319.449 3.900 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000122726785 1037204236 /nfs/dbraw/zinc/20/42/36/1037204236.db2.gz UGZDWIAOVLPOSU-HNNXBMFYSA-N 2 0 319.449 3.676 20 5 DHBDRP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000131806120 332037193 /nfs/dbraw/zinc/03/71/93/332037193.db2.gz CGPQOUMAURDTBI-HZTRTUMWSA-N 2 0 317.433 3.569 20 5 DHBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501772083 340088243 /nfs/dbraw/zinc/08/82/43/340088243.db2.gz VFPWWIORMGJYCW-HNNXBMFYSA-N 2 0 319.449 3.710 20 5 DHBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245459496 341295537 /nfs/dbraw/zinc/29/55/37/341295537.db2.gz LKXJDAYGDLBFKO-JKSUJKDBSA-N 2 0 319.449 3.758 20 5 DHBDRP Cc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000550887424 341325781 /nfs/dbraw/zinc/32/57/81/341325781.db2.gz VYVGTNDINNQYFF-MRXNPFEDSA-N 2 0 319.449 3.820 20 5 DHBDRP CC[N+](C)(C)Cc1ccccc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168551173 1019047848 /nfs/dbraw/zinc/04/78/48/1019047848.db2.gz ZURRKWFAPGCOAQ-QGZVFWFLSA-N 2 0 324.492 3.867 20 5 DHBDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423142608 1027435147 /nfs/dbraw/zinc/43/51/47/1027435147.db2.gz AUDFXRAEUMRQFX-DZKIICNBSA-N 2 0 305.422 3.556 20 5 DHBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH3+])CCCCCC1 ZINC000414857414 334130435 /nfs/dbraw/zinc/13/04/35/334130435.db2.gz DDZDPVGMVAFWTJ-OAHLLOKOSA-N 2 0 319.449 3.557 20 5 DHBDRP CCC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000192925927 336284549 /nfs/dbraw/zinc/28/45/49/336284549.db2.gz JLAVSSWNVFNOPU-QGZVFWFLSA-N 2 0 305.422 3.512 20 5 DHBDRP CC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000193024328 336287192 /nfs/dbraw/zinc/28/71/92/336287192.db2.gz IJVCUMLBGMCEFJ-INIZCTEOSA-N 2 0 319.449 3.945 20 5 DHBDRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000123698984 337400558 /nfs/dbraw/zinc/40/05/58/337400558.db2.gz PYFCGMUURSIGCN-AWEZNQCLSA-N 2 0 313.401 3.507 20 5 DHBDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000121730663 337898530 /nfs/dbraw/zinc/89/85/30/337898530.db2.gz CTGRZKNYZNXRJF-OAHLLOKOSA-N 2 0 319.449 3.676 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000122725625 337924306 /nfs/dbraw/zinc/92/43/06/337924306.db2.gz XDDHHWROVZZECM-OAHLLOKOSA-N 2 0 319.449 3.676 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000122727005 337924329 /nfs/dbraw/zinc/92/43/29/337924329.db2.gz UGZDWIAOVLPOSU-OAHLLOKOSA-N 2 0 319.449 3.676 20 5 DHBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000246841010 341357634 /nfs/dbraw/zinc/35/76/34/341357634.db2.gz CECJOTQJQKBRRV-JKSUJKDBSA-N 2 0 319.449 3.900 20 5 DHBDRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247044734 1013323305 /nfs/dbraw/zinc/32/33/05/1013323305.db2.gz LWCNOHFBPNOSBP-UXLLHSPISA-N 2 0 305.422 3.508 20 5 DHBDRP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125910439 1032724439 /nfs/dbraw/zinc/72/44/39/1032724439.db2.gz QEVPBCUAWFOHBF-CRAIPNDOSA-N 2 0 319.449 3.756 20 5 DHBDRP Cc1c([C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853611 1032726281 /nfs/dbraw/zinc/72/62/81/1032726281.db2.gz BCUFXQZLZFIHLC-JKSUJKDBSA-N 2 0 319.449 3.674 20 5 DHBDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121708502 1018308964 /nfs/dbraw/zinc/30/89/64/1018308964.db2.gz CXWHLOZKBVMRTN-HNNXBMFYSA-N 2 0 319.449 3.676 20 5 DHBDRP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000370671222 1019712744 /nfs/dbraw/zinc/71/27/44/1019712744.db2.gz OPRITEJKMGTBPS-BQFCYCMXSA-N 2 0 317.433 3.652 20 5 DHBDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423224729 1027464879 /nfs/dbraw/zinc/46/48/79/1027464879.db2.gz KBOGFGVVVYDVAF-RYUDHWBXSA-N 2 0 319.430 3.711 20 5 DHBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C(C)(C)CC([NH3+])CC1(C)C ZINC001173214437 1033613646 /nfs/dbraw/zinc/61/36/46/1033613646.db2.gz BZXUXXUHMADYRA-CYBMUJFWSA-N 2 0 319.449 3.506 20 5 DHBDRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119549338 1016144835 /nfs/dbraw/zinc/14/48/35/1016144835.db2.gz DCFMLTQRIPYBAP-CQSZACIVSA-N 2 0 313.401 3.507 20 5 DHBDRP CC[N+](C)(C)Cc1ccccc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171304716 1032309306 /nfs/dbraw/zinc/30/93/06/1032309306.db2.gz LOWJNFYDQUMGAD-UHFFFAOYSA-N 2 0 322.476 3.728 20 5 DHBDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121708671 1018309125 /nfs/dbraw/zinc/30/91/25/1018309125.db2.gz CXWHLOZKBVMRTN-OAHLLOKOSA-N 2 0 319.449 3.676 20 5 DHBDRP CC[N+](C)(C)Cc1ccccc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601626 1020043294 /nfs/dbraw/zinc/04/32/94/1020043294.db2.gz RLLBRQMRRZYQEQ-OALUTQOASA-N 2 0 304.502 3.568 20 5 DHBDRP CCC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000576160332 1026112498 /nfs/dbraw/zinc/11/24/98/1026112498.db2.gz ACEADZSSDOMJCS-GOSISDBHSA-N 2 0 313.401 3.685 20 5 DHBDRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000293765076 1027616532 /nfs/dbraw/zinc/61/65/32/1027616532.db2.gz RPUKQWMUFKWBHT-HNNXBMFYSA-N 2 0 305.422 3.512 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872033178 1031416120 /nfs/dbraw/zinc/41/61/20/1031416120.db2.gz GFRJEJGRGXNTLM-ZDUSSCGKSA-N 2 0 323.412 3.507 20 5 DHBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217064 1033597759 /nfs/dbraw/zinc/59/77/59/1033597759.db2.gz KSAGQHBBPRYFHG-HZPDHXFCSA-N 2 0 321.465 3.626 20 5 DHBDRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121773647 336977473 /nfs/dbraw/zinc/97/74/73/336977473.db2.gz AZRMJBGJSZBJSE-GOSISDBHSA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423142611 337701543 /nfs/dbraw/zinc/70/15/43/337701543.db2.gz AUDFXRAEUMRQFX-YCPHGPKFSA-N 2 0 305.422 3.556 20 5 DHBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157946433 1015343616 /nfs/dbraw/zinc/34/36/16/1015343616.db2.gz KOEFYIJWZGKYOR-CVEARBPZSA-N 2 0 319.449 3.758 20 5 DHBDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524156029 1017905241 /nfs/dbraw/zinc/90/52/41/1017905241.db2.gz BOOVVCRRDGMTTD-OAHLLOKOSA-N 2 0 319.449 3.708 20 5 DHBDRP CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423290947 1027487341 /nfs/dbraw/zinc/48/73/41/1027487341.db2.gz GAGCAPODHPXFBC-SCLBCKFNSA-N 2 0 313.401 3.855 20 5 DHBDRP CC(C)[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173223604 1033602907 /nfs/dbraw/zinc/60/29/07/1033602907.db2.gz IXMUMTKMECGLET-DJIMGWMZSA-N 2 0 319.449 3.506 20 5 DHBDRP Cc1c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001177299290 1035360669 /nfs/dbraw/zinc/36/06/69/1035360669.db2.gz NVXQTVCMODMWQA-HNNXBMFYSA-N 2 0 319.449 3.647 20 5 DHBDRP Cc1c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001177299623 1035360990 /nfs/dbraw/zinc/36/09/90/1035360990.db2.gz XNABZAIENCWEEQ-HNNXBMFYSA-N 2 0 319.449 3.505 20 5 DHBDRP Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122145410 132161614 /nfs/dbraw/zinc/16/16/14/132161614.db2.gz JNMUDWDYOPJSEH-CYBMUJFWSA-N 2 0 324.384 3.604 20 5 DHBDRP C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000122139982 132162002 /nfs/dbraw/zinc/16/20/02/132162002.db2.gz DGRYTYCPHDKOSI-GFCCVEGCSA-N 2 0 305.422 3.555 20 5 DHBDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563135017 333395688 /nfs/dbraw/zinc/39/56/88/333395688.db2.gz BVCDBVKRPVBSLG-VXGBXAGGSA-N 2 0 319.430 3.539 20 5 DHBDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000415025582 334259887 /nfs/dbraw/zinc/25/98/87/334259887.db2.gz RGAKOZMZCRHURR-LBPRGKRZSA-N 2 0 319.430 3.540 20 5 DHBDRP CC(C)c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000459659987 339041298 /nfs/dbraw/zinc/04/12/98/339041298.db2.gz NQTLIACCBAGPLB-UHFFFAOYSA-N 2 0 324.384 3.656 20 5 DHBDRP CC[NH+](CC)C[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245526155 341299795 /nfs/dbraw/zinc/29/97/95/341299795.db2.gz OVIXHSDVCIQACY-CVEARBPZSA-N 2 0 319.449 3.628 20 5 DHBDRP Cc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125820262 1032721572 /nfs/dbraw/zinc/72/15/72/1032721572.db2.gz DODNKRAYEFBQFV-JKSUJKDBSA-N 2 0 319.449 3.674 20 5 DHBDRP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000370671225 1019713336 /nfs/dbraw/zinc/71/33/36/1019713336.db2.gz OPRITEJKMGTBPS-RYRKJORJSA-N 2 0 317.433 3.652 20 5 DHBDRP CC[N+](C)(C)Cc1ccccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167753125 1023044854 /nfs/dbraw/zinc/04/48/54/1023044854.db2.gz KWXLFKGWUNJDGM-GOSISDBHSA-N 2 0 318.529 3.959 20 5 DHBDRP CCC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423279828 1027494411 /nfs/dbraw/zinc/49/44/11/1027494411.db2.gz SPJRSFQWMCKWGB-PVAVHDDUSA-N 2 0 305.422 3.543 20 5 DHBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576001576 1027542154 /nfs/dbraw/zinc/54/21/54/1027542154.db2.gz CNSSVHRFUKJABA-PBHICJAKSA-N 2 0 319.449 3.682 20 5 DHBDRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000161098390 1035297037 /nfs/dbraw/zinc/29/70/37/1035297037.db2.gz LWCNOHFBPNOSBP-VYDXJSESSA-N 2 0 305.422 3.508 20 5 DHBDRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122704001 1037156780 /nfs/dbraw/zinc/15/67/80/1037156780.db2.gz SHUAAOJOVRMMEP-OAHLLOKOSA-N 2 0 319.449 3.676 20 5 DHBDRP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582329 1038939430 /nfs/dbraw/zinc/93/94/30/1038939430.db2.gz IMLRPSWNBHWWQC-NVXWUHKLSA-N 2 0 317.433 3.700 20 5 DHBDRP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582328 1038939923 /nfs/dbraw/zinc/93/99/23/1038939923.db2.gz IMLRPSWNBHWWQC-DOTOQJQBSA-N 2 0 317.433 3.700 20 5 DHBDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075713466 1039483815 /nfs/dbraw/zinc/48/38/15/1039483815.db2.gz OOWNFERVGQUHHN-OAHLLOKOSA-N 2 0 319.449 3.708 20 5 DHBDRP CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000320696584 335125097 /nfs/dbraw/zinc/12/50/97/335125097.db2.gz HQEXLKSPZFEIJK-YJBOKZPZSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@H](NCCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319048527 333249648 /nfs/dbraw/zinc/24/96/48/333249648.db2.gz BQHCDSYBAWZGDS-KRWDZBQOSA-N 2 0 307.438 3.756 20 5 DHBDRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000321477762 337270591 /nfs/dbraw/zinc/27/05/91/337270591.db2.gz ATJWBJSDEHGCGR-QAPCUYQASA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423329288 337712244 /nfs/dbraw/zinc/71/22/44/337712244.db2.gz LDKLDZSOPHFJCQ-GFCCVEGCSA-N 2 0 319.430 3.713 20 5 DHBDRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293768024 1012009791 /nfs/dbraw/zinc/00/97/91/1012009791.db2.gz RVVCVWDCECNCPE-HNNXBMFYSA-N 2 0 305.422 3.512 20 5 DHBDRP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000370671223 1019711998 /nfs/dbraw/zinc/71/19/98/1019711998.db2.gz OPRITEJKMGTBPS-JZXOWHBKSA-N 2 0 317.433 3.652 20 5 DHBDRP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770393177 1023304158 /nfs/dbraw/zinc/30/41/58/1023304158.db2.gz BICUUFJIKNPCPN-HDICACEKSA-N 2 0 302.421 3.644 20 5 DHBDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423290467 1027487349 /nfs/dbraw/zinc/48/73/49/1027487349.db2.gz DBURMLKEMWNAJR-ZIAGYGMSSA-N 2 0 313.401 3.774 20 5 DHBDRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502547 1027566925 /nfs/dbraw/zinc/56/69/25/1027566925.db2.gz MBFKHVLLVRHHJH-KSSFIOAISA-N 2 0 313.401 3.726 20 5 DHBDRP CC(C)[NH+](CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449190823 1028430078 /nfs/dbraw/zinc/43/00/78/1028430078.db2.gz WRMCBWHQPRUXPP-INIZCTEOSA-N 2 0 321.465 3.624 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000320696580 335125138 /nfs/dbraw/zinc/12/51/38/335125138.db2.gz HQEXLKSPZFEIJK-MAUKXSAKSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000321477757 337270627 /nfs/dbraw/zinc/27/06/27/337270627.db2.gz ATJWBJSDEHGCGR-CRAIPNDOSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000121730341 337898498 /nfs/dbraw/zinc/89/84/98/337898498.db2.gz SIBOPYPZSSAVAI-OAHLLOKOSA-N 2 0 319.449 3.676 20 5 DHBDRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246358719 341344893 /nfs/dbraw/zinc/34/48/93/341344893.db2.gz IGDCFXTZXPQTQP-CVEARBPZSA-N 2 0 319.449 3.613 20 5 DHBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000246840976 341357595 /nfs/dbraw/zinc/35/75/95/341357595.db2.gz CECJOTQJQKBRRV-HZPDHXFCSA-N 2 0 319.449 3.900 20 5 DHBDRP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000121119243 1014996948 /nfs/dbraw/zinc/99/69/48/1014996948.db2.gz HUNDVAFZWSHFAC-AWEZNQCLSA-N 2 0 322.368 3.631 20 5 DHBDRP Cc1c([C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853298 1032723861 /nfs/dbraw/zinc/72/38/61/1032723861.db2.gz BCUFXQZLZFIHLC-HOTGVXAUSA-N 2 0 319.449 3.674 20 5 DHBDRP CC[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000923379238 1019158447 /nfs/dbraw/zinc/15/84/47/1019158447.db2.gz NXHSSZCGVQWBNJ-NZZOQPFGSA-N 2 0 317.433 3.556 20 5 DHBDRP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000296009733 1024105859 /nfs/dbraw/zinc/10/58/59/1024105859.db2.gz QZYGCPILCTXZBR-MMNRESRNSA-N 2 0 317.433 3.651 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000531714656 1024279478 /nfs/dbraw/zinc/27/94/78/1024279478.db2.gz ZVLHAFHTVLNTFV-YOEHRIQHSA-N 2 0 321.465 3.920 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423238822 1027459017 /nfs/dbraw/zinc/45/90/17/1027459017.db2.gz JOORDCJSNBRLOM-QZTJIDSGSA-N 2 0 313.401 3.726 20 5 DHBDRP Cc1c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000866516690 1030343276 /nfs/dbraw/zinc/34/32/76/1030343276.db2.gz SLPMJVTWGCRELU-KSTDHSDQSA-N 2 0 319.449 3.817 20 5 DHBDRP C[N@@H+]1CCC=C(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)C1 ZINC001175581043 1035050776 /nfs/dbraw/zinc/05/07/76/1035050776.db2.gz WWYYFJQNNQOLEY-UHFFFAOYSA-N 2 0 304.397 3.602 20 5 DHBDRP CCC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000602020549 1040855177 /nfs/dbraw/zinc/85/51/77/1040855177.db2.gz MAIFBRWIGRTGDJ-QRTARXTBSA-N 2 0 305.422 3.543 20 5 DHBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245459495 341295556 /nfs/dbraw/zinc/29/55/56/341295556.db2.gz LKXJDAYGDLBFKO-HZPDHXFCSA-N 2 0 319.449 3.758 20 5 DHBDRP Cc1c([C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000125853055 1032725915 /nfs/dbraw/zinc/72/59/15/1032725915.db2.gz BCUFXQZLZFIHLC-CVEARBPZSA-N 2 0 319.449 3.674 20 5 DHBDRP c1ccc2c(c1)cc1ccccc1c2C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000770393182 1023304342 /nfs/dbraw/zinc/30/43/42/1023304342.db2.gz BICUUFJIKNPCPN-QZTJIDSGSA-N 2 0 302.421 3.644 20 5 DHBDRP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453415124 1024508025 /nfs/dbraw/zinc/50/80/25/1024508025.db2.gz XCZXMPPEJJSKPO-QGZVFWFLSA-N 2 0 305.422 3.510 20 5 DHBDRP CCC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000321111050 1024660779 /nfs/dbraw/zinc/66/07/79/1024660779.db2.gz JSERTQILZYCBHM-GOSISDBHSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000151119798 1026342296 /nfs/dbraw/zinc/34/22/96/1026342296.db2.gz LWNJFPACPKUDJC-YJBOKZPZSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421866091 1027071930 /nfs/dbraw/zinc/07/19/30/1027071930.db2.gz ADXRNKBOHQAURO-HTWSVDAQSA-N 2 0 319.449 3.898 20 5 DHBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576001578 1027542249 /nfs/dbraw/zinc/54/22/49/1027542249.db2.gz CNSSVHRFUKJABA-WMLDXEAASA-N 2 0 319.449 3.682 20 5 DHBDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075713464 1028532195 /nfs/dbraw/zinc/53/21/95/1028532195.db2.gz OOWNFERVGQUHHN-HNNXBMFYSA-N 2 0 319.449 3.708 20 5 DHBDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000927038773 1031045327 /nfs/dbraw/zinc/04/53/27/1031045327.db2.gz QHVQTUKWAZOPAX-MXWWQKGMSA-N 2 0 317.433 3.652 20 5 DHBDRP Cc1c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001177299624 1035361043 /nfs/dbraw/zinc/36/10/43/1035361043.db2.gz XNABZAIENCWEEQ-OAHLLOKOSA-N 2 0 319.449 3.505 20 5 DHBDRP CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000320696579 335125146 /nfs/dbraw/zinc/12/51/46/335125146.db2.gz HQEXLKSPZFEIJK-CRAIPNDOSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423456328 337720448 /nfs/dbraw/zinc/72/04/48/337720448.db2.gz GKOOHWWDQQACKV-QRTARXTBSA-N 2 0 305.422 3.543 20 5 DHBDRP Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000323983354 1017467280 /nfs/dbraw/zinc/46/72/80/1017467280.db2.gz AFFKOFIRSGRHEP-CYBMUJFWSA-N 2 0 316.405 3.592 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000531714654 1024279937 /nfs/dbraw/zinc/27/99/37/1024279937.db2.gz ZVLHAFHTVLNTFV-WMLDXEAASA-N 2 0 321.465 3.920 20 5 DHBDRP CCC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000576160333 1026110919 /nfs/dbraw/zinc/11/09/19/1026110919.db2.gz ACEADZSSDOMJCS-SFHVURJKSA-N 2 0 313.401 3.685 20 5 DHBDRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423517020 1027577785 /nfs/dbraw/zinc/57/77/85/1027577785.db2.gz YKKBEMFWTJJLPV-KDOFPFPSSA-N 2 0 313.401 3.726 20 5 DHBDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000567870929 1028965654 /nfs/dbraw/zinc/96/56/54/1028965654.db2.gz ZKEVVCBLJWHDCO-NEPJUHHUSA-N 2 0 319.430 3.539 20 5 DHBDRP C[C@H](C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CC[NH3+] ZINC001173221408 1033603311 /nfs/dbraw/zinc/60/33/11/1033603311.db2.gz NBFFKHXOPIMUDZ-GJZGRUSLSA-N 2 0 321.465 3.517 20 5 DHBDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563135014 333395732 /nfs/dbraw/zinc/39/57/32/333395732.db2.gz BVCDBVKRPVBSLG-NWDGAFQWSA-N 2 0 319.430 3.539 20 5 DHBDRP CCC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000324056456 336046588 /nfs/dbraw/zinc/04/65/88/336046588.db2.gz BTWVJFBJEAEIFE-QGZVFWFLSA-N 2 0 319.449 3.758 20 5 DHBDRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640022 337165704 /nfs/dbraw/zinc/16/57/04/337165704.db2.gz JNGBAFLPQHFACT-CQSZACIVSA-N 2 0 313.401 3.507 20 5 DHBDRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000340474381 535803556 /nfs/dbraw/zinc/80/35/56/535803556.db2.gz IHIBYAILGSEJEI-GOSISDBHSA-N 2 0 319.449 3.902 20 5 DHBDRP CC[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000923379232 1019158414 /nfs/dbraw/zinc/15/84/14/1019158414.db2.gz NXHSSZCGVQWBNJ-NPVYPNSJSA-N 2 0 317.433 3.556 20 5 DHBDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000922508928 1020106667 /nfs/dbraw/zinc/10/66/67/1020106667.db2.gz DSYUYCLELZDFRE-UHFFFAOYSA-N 2 0 323.462 3.543 20 5 DHBDRP c1ccc2c(c1)cc1ccccc1c2C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000770393187 1023303871 /nfs/dbraw/zinc/30/38/71/1023303871.db2.gz BICUUFJIKNPCPN-ROUUACIJSA-N 2 0 302.421 3.644 20 5 DHBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873150080 1031724835 /nfs/dbraw/zinc/72/48/35/1031724835.db2.gz YDDDKLJDRFFGFX-UHFFFAOYSA-N 2 0 319.449 3.564 20 5 DHBDRP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+](C)C)c1 ZINC000925315694 1031754636 /nfs/dbraw/zinc/75/46/36/1031754636.db2.gz YUMVAVDTGNNAPT-AWEZNQCLSA-N 2 0 313.401 3.507 20 5 DHBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+] ZINC001173221410 1033602663 /nfs/dbraw/zinc/60/26/63/1033602663.db2.gz NBFFKHXOPIMUDZ-LSDHHAIUSA-N 2 0 321.465 3.517 20 5 DHBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C(C)(C)CC([NH3+])CC1(C)C ZINC001173214438 1033615160 /nfs/dbraw/zinc/61/51/60/1033615160.db2.gz BZXUXXUHMADYRA-ZDUSSCGKSA-N 2 0 319.449 3.506 20 5 DHBDRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353520538 336422148 /nfs/dbraw/zinc/42/21/48/336422148.db2.gz PKIIEKLDLSCYQD-DQPZFDDXSA-N 2 0 305.422 3.508 20 5 DHBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157946588 1015342920 /nfs/dbraw/zinc/34/29/20/1015342920.db2.gz KOEFYIJWZGKYOR-HOTGVXAUSA-N 2 0 319.449 3.758 20 5 DHBDRP CCC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423238823 1027459548 /nfs/dbraw/zinc/45/95/48/1027459548.db2.gz JOORDCJSNBRLOM-ROUUACIJSA-N 2 0 313.401 3.726 20 5 DHBDRP Cc1c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000423295709 1027503239 /nfs/dbraw/zinc/50/32/39/1027503239.db2.gz XIAQLTMNXZSQJR-KGLIPLIRSA-N 2 0 313.401 3.774 20 5 DHBDRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000866517028 1030342276 /nfs/dbraw/zinc/34/22/76/1030342276.db2.gz VCAWWIBJKRCRTL-KTAKPFMOSA-N 2 0 305.422 3.508 20 5 DHBDRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072255 1031466580 /nfs/dbraw/zinc/46/65/80/1031466580.db2.gz FQHJQEVXSMQRRE-AWEZNQCLSA-N 2 0 323.412 3.651 20 5 DHBDRP CCCC[NH+]1CCC(N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192844519 1034698367 /nfs/dbraw/zinc/69/83/67/1034698367.db2.gz IPKMWQDLYIDDNQ-GOSISDBHSA-N 2 0 319.449 3.900 20 5 DHBDRP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582331 1038940025 /nfs/dbraw/zinc/94/00/25/1038940025.db2.gz IMLRPSWNBHWWQC-WBVHZDCISA-N 2 0 317.433 3.700 20 5 DHBDRP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000593323025 1040714778 /nfs/dbraw/zinc/71/47/78/1040714778.db2.gz OKBRROPKHWYFDE-GOSISDBHSA-N 2 0 313.401 3.555 20 5 DHBDRP CCC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000602020548 1040856857 /nfs/dbraw/zinc/85/68/57/1040856857.db2.gz MAIFBRWIGRTGDJ-FRFSOERESA-N 2 0 305.422 3.543 20 5 DHBDRP Cc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125819942 1032720052 /nfs/dbraw/zinc/72/00/52/1032720052.db2.gz DODNKRAYEFBQFV-HOTGVXAUSA-N 2 0 319.449 3.674 20 5 DHBDRP CCC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423238821 1027459492 /nfs/dbraw/zinc/45/94/92/1027459492.db2.gz JOORDCJSNBRLOM-MSOLQXFVSA-N 2 0 313.401 3.726 20 5 DHBDRP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423290945 1027485743 /nfs/dbraw/zinc/48/57/43/1027485743.db2.gz GAGCAPODHPXFBC-ACJLOTCBSA-N 2 0 313.401 3.855 20 5 DHBDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423290466 1027486295 /nfs/dbraw/zinc/48/62/95/1027486295.db2.gz DBURMLKEMWNAJR-UONOGXRCSA-N 2 0 313.401 3.774 20 5 DHBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCC[NH3+])C1CCCCC1 ZINC001173215674 1033598158 /nfs/dbraw/zinc/59/81/58/1033598158.db2.gz YJYPMXDVVNVSOB-HNNXBMFYSA-N 2 0 319.449 3.509 20 5 DHBDRP Cc1c([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000483195234 1035239275 /nfs/dbraw/zinc/23/92/75/1035239275.db2.gz JMEGLCSUBKEEFX-YOEHRIQHSA-N 2 0 321.465 3.920 20 5 DHBDRP C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596652808 1040524684 /nfs/dbraw/zinc/52/46/84/1040524684.db2.gz ICMMEWZOFFMPGC-RYUDHWBXSA-N 2 0 319.430 3.582 20 5 DHBDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563135013 333395584 /nfs/dbraw/zinc/39/55/84/333395584.db2.gz BVCDBVKRPVBSLG-NEPJUHHUSA-N 2 0 319.430 3.539 20 5 DHBDRP CCC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000192925915 336284456 /nfs/dbraw/zinc/28/44/56/336284456.db2.gz JLAVSSWNVFNOPU-KRWDZBQOSA-N 2 0 305.422 3.512 20 5 DHBDRP CCC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423487771 337722310 /nfs/dbraw/zinc/72/23/10/337722310.db2.gz UQHDGRYTNDUHSK-NVXWUHKLSA-N 2 0 305.422 3.558 20 5 DHBDRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247044718 1013322957 /nfs/dbraw/zinc/32/29/57/1013322957.db2.gz LWCNOHFBPNOSBP-INMHGKMJSA-N 2 0 305.422 3.508 20 5 DHBDRP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453415122 1024508891 /nfs/dbraw/zinc/50/88/91/1024508891.db2.gz XCZXMPPEJJSKPO-KRWDZBQOSA-N 2 0 305.422 3.510 20 5 DHBDRP C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000322148039 1025886796 /nfs/dbraw/zinc/88/67/96/1025886796.db2.gz YGERVENLZMHCST-OAHLLOKOSA-N 2 0 319.449 3.900 20 5 DHBDRP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000151119903 1026342546 /nfs/dbraw/zinc/34/25/46/1026342546.db2.gz LWNJFPACPKUDJC-QAPCUYQASA-N 2 0 319.449 3.758 20 5 DHBDRP CCC1([NH3+])CC[NH+]([C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000925760348 1030485443 /nfs/dbraw/zinc/48/54/43/1030485443.db2.gz PTEFRXBICGPCCI-MRXNPFEDSA-N 2 0 317.433 3.521 20 5 DHBDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927036659 1031045704 /nfs/dbraw/zinc/04/57/04/1031045704.db2.gz FGGPEWKYORMJDZ-MXWWQKGMSA-N 2 0 317.433 3.652 20 5 DHBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217055 1033597336 /nfs/dbraw/zinc/59/73/36/1033597336.db2.gz KSAGQHBBPRYFHG-CVEARBPZSA-N 2 0 321.465 3.626 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000490103803 1037605684 /nfs/dbraw/zinc/60/56/84/1037605684.db2.gz QTZMEXCGEOEUIG-HZPDHXFCSA-N 2 0 319.449 3.770 20 5 DHBDRP CCC[C@@H](NCCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319048529 333249771 /nfs/dbraw/zinc/24/97/71/333249771.db2.gz BQHCDSYBAWZGDS-QGZVFWFLSA-N 2 0 307.438 3.756 20 5 DHBDRP CC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000193024343 336287205 /nfs/dbraw/zinc/28/72/05/336287205.db2.gz IJVCUMLBGMCEFJ-MRXNPFEDSA-N 2 0 319.449 3.945 20 5 DHBDRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423329289 337712211 /nfs/dbraw/zinc/71/22/11/337712211.db2.gz LDKLDZSOPHFJCQ-LBPRGKRZSA-N 2 0 319.430 3.713 20 5 DHBDRP CC(C)c1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459724504 339044329 /nfs/dbraw/zinc/04/43/29/339044329.db2.gz FBNPVCDUMYKYJR-OAHLLOKOSA-N 2 0 319.449 3.540 20 5 DHBDRP CC(C)c1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459724503 339044431 /nfs/dbraw/zinc/04/44/31/339044431.db2.gz FBNPVCDUMYKYJR-HNNXBMFYSA-N 2 0 319.449 3.540 20 5 DHBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173325078 340362261 /nfs/dbraw/zinc/36/22/61/340362261.db2.gz LKXJDAYGDLBFKO-HOTGVXAUSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[NH+](CC)C[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245526157 341299808 /nfs/dbraw/zinc/29/98/08/341299808.db2.gz OVIXHSDVCIQACY-HZPDHXFCSA-N 2 0 319.449 3.628 20 5 DHBDRP Cc1c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000556234147 341498519 /nfs/dbraw/zinc/49/85/19/341498519.db2.gz VEQSUPMXZRUFJW-MRXNPFEDSA-N 2 0 319.449 3.820 20 5 DHBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153716433 520631118 /nfs/dbraw/zinc/63/11/18/520631118.db2.gz LVNQUCTUKKRMSU-HUUCEWRRSA-N 2 0 307.438 3.756 20 5 DHBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217060 1033596913 /nfs/dbraw/zinc/59/69/13/1033596913.db2.gz KSAGQHBBPRYFHG-HOTGVXAUSA-N 2 0 321.465 3.626 20 5 DHBDRP CCC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000125386806 1020300534 /nfs/dbraw/zinc/30/05/34/1020300534.db2.gz IEAZMBFJIXNITG-SFHVURJKSA-N 2 0 319.449 3.758 20 5 DHBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153716220 1020554194 /nfs/dbraw/zinc/55/41/94/1020554194.db2.gz LVNQUCTUKKRMSU-CABCVRRESA-N 2 0 307.438 3.756 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233624 1021621079 /nfs/dbraw/zinc/62/10/79/1021621079.db2.gz RBRZBKXOGOZWHZ-MRXNPFEDSA-N 2 0 319.449 3.820 20 5 DHBDRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173307063 1022690044 /nfs/dbraw/zinc/69/00/44/1022690044.db2.gz LIFODLQCWVIYRX-AWEZNQCLSA-N 2 0 313.401 3.507 20 5 DHBDRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173307078 1022691449 /nfs/dbraw/zinc/69/14/49/1022691449.db2.gz LIFODLQCWVIYRX-CQSZACIVSA-N 2 0 313.401 3.507 20 5 DHBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000531714653 1024280176 /nfs/dbraw/zinc/28/01/76/1024280176.db2.gz ZVLHAFHTVLNTFV-RHSMWYFYSA-N 2 0 321.465 3.920 20 5 DHBDRP CC(C)c1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421381448 1026974494 /nfs/dbraw/zinc/97/44/94/1026974494.db2.gz ZYFKPAMNJLRFRD-UHFFFAOYSA-N 2 0 319.449 3.681 20 5 DHBDRP CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423290946 1027486281 /nfs/dbraw/zinc/48/62/81/1027486281.db2.gz GAGCAPODHPXFBC-FZKQIMNGSA-N 2 0 313.401 3.855 20 5 DHBDRP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000423295711 1027504600 /nfs/dbraw/zinc/50/46/00/1027504600.db2.gz XIAQLTMNXZSQJR-ZIAGYGMSSA-N 2 0 313.401 3.774 20 5 DHBDRP CC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000161098764 1035297305 /nfs/dbraw/zinc/29/73/05/1035297305.db2.gz LWCNOHFBPNOSBP-YQQAZPJKSA-N 2 0 305.422 3.508 20 5 DHBDRP CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000161098526 1035297483 /nfs/dbraw/zinc/29/74/83/1035297483.db2.gz LWCNOHFBPNOSBP-HLLBOEOZSA-N 2 0 305.422 3.508 20 5 DHBDRP CCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000347110661 1016737136 /nfs/dbraw/zinc/73/71/36/1016737136.db2.gz NPXGNXIZHLCOFL-UHFFFAOYSA-N 2 0 319.449 3.682 20 5 DHBDRP Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000125819780 1032721956 /nfs/dbraw/zinc/72/19/56/1032721956.db2.gz DODNKRAYEFBQFV-CVEARBPZSA-N 2 0 319.449 3.674 20 5 DHBDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173411230 1018200856 /nfs/dbraw/zinc/20/08/56/1018200856.db2.gz ORQCWJRZIUAUAC-INIZCTEOSA-N 2 0 319.449 3.902 20 5 DHBDRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000278408486 1018668787 /nfs/dbraw/zinc/66/87/87/1018668787.db2.gz HJUARYURKPDYET-GOSISDBHSA-N 2 0 317.433 3.510 20 5 DHBDRP CC[N+](C)(C)Cc1ccccc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167753126 1023044291 /nfs/dbraw/zinc/04/42/91/1023044291.db2.gz KWXLFKGWUNJDGM-SFHVURJKSA-N 2 0 318.529 3.959 20 5 DHBDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423142609 1027433680 /nfs/dbraw/zinc/43/36/80/1027433680.db2.gz AUDFXRAEUMRQFX-IJEWVQPXSA-N 2 0 305.422 3.556 20 5 DHBDRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423224728 1027466009 /nfs/dbraw/zinc/46/60/09/1027466009.db2.gz KBOGFGVVVYDVAF-NWDGAFQWSA-N 2 0 319.430 3.711 20 5 DHBDRP CCC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423456327 337720401 /nfs/dbraw/zinc/72/04/01/337720401.db2.gz GKOOHWWDQQACKV-LXZKKBNFSA-N 2 0 305.422 3.543 20 5 DHBDRP CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423456329 337720454 /nfs/dbraw/zinc/72/04/54/337720454.db2.gz GKOOHWWDQQACKV-UNEWFSDZSA-N 2 0 305.422 3.543 20 5 DHBDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000567870932 341637808 /nfs/dbraw/zinc/63/78/08/341637808.db2.gz ZKEVVCBLJWHDCO-VXGBXAGGSA-N 2 0 319.430 3.539 20 5 DHBDRP