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+]CC1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000347037097 1016692747 /nfs/dbraw/zinc/69/27/47/1016692747.db2.gz FTBTWRNUQBGMBQ-UHFFFAOYSA-N 1 3 319.449 3.540 20 5 DHBDHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466190 1025368992 /nfs/dbraw/zinc/36/89/92/1025368992.db2.gz POYRHYYDDKANDA-CQSZACIVSA-N 1 3 319.449 3.551 20 5 DHBDHO C[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466190 1025369002 /nfs/dbraw/zinc/36/90/02/1025369002.db2.gz POYRHYYDDKANDA-CQSZACIVSA-N 1 3 319.449 3.551 20 5 DHBDHO Cc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423290464 1027486902 /nfs/dbraw/zinc/48/69/02/1027486902.db2.gz DBURMLKEMWNAJR-KBPBESRZSA-N 1 3 313.401 3.774 20 5 DHBDHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471789 1027559063 /nfs/dbraw/zinc/55/90/63/1027559063.db2.gz PZTZJJJKADQWCA-NEPJUHHUSA-N 1 3 319.430 3.711 20 5 DHBDHO C[C@H](NC1CCC(C)([NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872091402 1031487648 /nfs/dbraw/zinc/48/76/48/1031487648.db2.gz HDVDMAAJNGJNTF-POZPTJLLSA-N 1 3 323.412 3.647 20 5 DHBDHO CC[C@@H]([NH2+]CCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193024056 1035864744 /nfs/dbraw/zinc/86/47/44/1035864744.db2.gz GHRZLEIRTMVLOF-QGZVFWFLSA-N 1 3 305.422 3.512 20 5 DHBDHO CC(C)[N@H+](CCCN1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000508172039 340240042 /nfs/dbraw/zinc/24/00/42/340240042.db2.gz BMMXSQKUMZHBPC-UHFFFAOYSA-N 1 3 319.449 3.681 20 5 DHBDHO CC(C)[N@@H+](CCCN1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000508172039 340240043 /nfs/dbraw/zinc/24/00/43/340240043.db2.gz BMMXSQKUMZHBPC-UHFFFAOYSA-N 1 3 319.449 3.681 20 5 DHBDHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178655091 340451379 /nfs/dbraw/zinc/45/13/79/340451379.db2.gz CWAMUNRVVGTVDM-MRXNPFEDSA-N 1 3 319.449 3.902 20 5 DHBDHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245470528 341295925 /nfs/dbraw/zinc/29/59/25/341295925.db2.gz WLZWQHRNNABGJN-HZPDHXFCSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245470528 341295926 /nfs/dbraw/zinc/29/59/26/341295926.db2.gz WLZWQHRNNABGJN-HZPDHXFCSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245470529 341295999 /nfs/dbraw/zinc/29/59/99/341295999.db2.gz WLZWQHRNNABGJN-JKSUJKDBSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245470529 341296000 /nfs/dbraw/zinc/29/60/00/341296000.db2.gz WLZWQHRNNABGJN-JKSUJKDBSA-N 1 3 319.449 3.900 20 5 DHBDHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471791 1027558077 /nfs/dbraw/zinc/55/80/77/1027558077.db2.gz PZTZJJJKADQWCA-RYUDHWBXSA-N 1 3 319.430 3.711 20 5 DHBDHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502543 1027567040 /nfs/dbraw/zinc/56/70/40/1027567040.db2.gz MBFKHVLLVRHHJH-KBXCAEBGSA-N 1 3 313.401 3.726 20 5 DHBDHO CCCCN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000164475431 1038201018 /nfs/dbraw/zinc/20/10/18/1038201018.db2.gz PWBVJIIVMGEHGV-HNNXBMFYSA-N 1 3 319.449 3.818 20 5 DHBDHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640009 337165708 /nfs/dbraw/zinc/16/57/08/337165708.db2.gz JNGBAFLPQHFACT-AWEZNQCLSA-N 1 3 313.401 3.507 20 5 DHBDHO Cc1c([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000545519268 341128154 /nfs/dbraw/zinc/12/81/54/341128154.db2.gz YKSVAYZQPQSJKI-HNNXBMFYSA-N 1 3 319.449 3.676 20 5 DHBDHO Cc1c([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000423295708 1027504806 /nfs/dbraw/zinc/50/48/06/1027504806.db2.gz XIAQLTMNXZSQJR-KBPBESRZSA-N 1 3 313.401 3.774 20 5 DHBDHO [NH3+]C1(CNCc2c3ccccc3cc3ccccc32)CCOCC1 ZINC000863646061 1034162971 /nfs/dbraw/zinc/16/29/71/1034162971.db2.gz PLWHUQRQKMLFPE-UHFFFAOYSA-N 1 3 320.436 3.591 20 5 DHBDHO Cc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423290465 1027485787 /nfs/dbraw/zinc/48/57/87/1027485787.db2.gz DBURMLKEMWNAJR-KGLIPLIRSA-N 1 3 313.401 3.774 20 5 DHBDHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246999335 341359817 /nfs/dbraw/zinc/35/98/17/341359817.db2.gz KOEFYIJWZGKYOR-JKSUJKDBSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246999335 341359818 /nfs/dbraw/zinc/35/98/18/341359818.db2.gz KOEFYIJWZGKYOR-JKSUJKDBSA-N 1 3 319.449 3.758 20 5 DHBDHO CCCC[N@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052209339 1018218758 /nfs/dbraw/zinc/21/87/58/1018218758.db2.gz WPQDJKPFQNBAOF-UHFFFAOYSA-N 1 3 319.449 3.539 20 5 DHBDHO CCCC[N@@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052209339 1018218769 /nfs/dbraw/zinc/21/87/69/1018218769.db2.gz WPQDJKPFQNBAOF-UHFFFAOYSA-N 1 3 319.449 3.539 20 5 DHBDHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502545 1027568491 /nfs/dbraw/zinc/56/84/91/1027568491.db2.gz MBFKHVLLVRHHJH-KDOFPFPSSA-N 1 3 313.401 3.726 20 5 DHBDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563135016 333395593 /nfs/dbraw/zinc/39/55/93/333395593.db2.gz BVCDBVKRPVBSLG-RYUDHWBXSA-N 1 3 319.430 3.539 20 5 DHBDHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423286240 1027482560 /nfs/dbraw/zinc/48/25/60/1027482560.db2.gz GFOUGORGKPZUFN-NSHDSACASA-N 1 3 319.430 3.711 20 5 DHBDHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173325499 340362314 /nfs/dbraw/zinc/36/23/14/340362314.db2.gz LIOGLZZRUHXNCZ-INIZCTEOSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173325064 340362376 /nfs/dbraw/zinc/36/23/76/340362376.db2.gz LKXJDAYGDLBFKO-CVEARBPZSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173325064 340362377 /nfs/dbraw/zinc/36/23/77/340362377.db2.gz LKXJDAYGDLBFKO-CVEARBPZSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123398268 1022396406 /nfs/dbraw/zinc/39/64/06/1022396406.db2.gz HBIBEURIYAARTQ-HNNXBMFYSA-N 1 3 319.449 3.710 20 5 DHBDHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423301962 1027502962 /nfs/dbraw/zinc/50/29/62/1027502962.db2.gz UTWHUHYTORPXAE-RYUDHWBXSA-N 1 3 319.430 3.569 20 5 DHBDHO CC[C@H](NCc1ccccc1C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000593323026 1040714230 /nfs/dbraw/zinc/71/42/30/1040714230.db2.gz OKBRROPKHWYFDE-SFHVURJKSA-N 1 3 313.401 3.555 20 5 DHBDHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423517015 337724372 /nfs/dbraw/zinc/72/43/72/337724372.db2.gz YKKBEMFWTJJLPV-KBXCAEBGSA-N 1 3 313.401 3.726 20 5 DHBDHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173325518 340362446 /nfs/dbraw/zinc/36/24/46/340362446.db2.gz LIOGLZZRUHXNCZ-MRXNPFEDSA-N 1 3 319.449 3.758 20 5 DHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCCC[NH+]1CCCC1 ZINC000556233617 341498506 /nfs/dbraw/zinc/49/85/06/341498506.db2.gz RBRZBKXOGOZWHZ-INIZCTEOSA-N 1 3 319.449 3.820 20 5 DHBDHO Cc1c([C@H](C)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000556234144 341498527 /nfs/dbraw/zinc/49/85/27/341498527.db2.gz VEQSUPMXZRUFJW-INIZCTEOSA-N 1 3 319.449 3.820 20 5 DHBDHO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524156028 1017906599 /nfs/dbraw/zinc/90/65/99/1017906599.db2.gz BOOVVCRRDGMTTD-HNNXBMFYSA-N 1 3 319.449 3.708 20 5 DHBDHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524156028 1017906609 /nfs/dbraw/zinc/90/66/09/1017906609.db2.gz BOOVVCRRDGMTTD-HNNXBMFYSA-N 1 3 319.449 3.708 20 5 DHBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123398483 1022372145 /nfs/dbraw/zinc/37/21/45/1022372145.db2.gz HBIBEURIYAARTQ-OAHLLOKOSA-N 1 3 319.449 3.710 20 5 DHBDHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423517023 1027578255 /nfs/dbraw/zinc/57/82/55/1027578255.db2.gz YKKBEMFWTJJLPV-KSSFIOAISA-N 1 3 313.401 3.726 20 5 DHBDHO CC[NH+](CC)CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044412 332032444 /nfs/dbraw/zinc/03/24/44/332032444.db2.gz PIEAWGXVNYECCS-HNNXBMFYSA-N 1 3 319.449 3.710 20 5 DHBDHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423301960 337711089 /nfs/dbraw/zinc/71/10/89/337711089.db2.gz UTWHUHYTORPXAE-NEPJUHHUSA-N 1 3 319.430 3.569 20 5 DHBDHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173324923 340362338 /nfs/dbraw/zinc/36/23/38/340362338.db2.gz WLZWQHRNNABGJN-HOTGVXAUSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173324923 340362339 /nfs/dbraw/zinc/36/23/39/340362339.db2.gz WLZWQHRNNABGJN-HOTGVXAUSA-N 1 3 319.449 3.900 20 5 DHBDHO CCCCN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122961145 1020329871 /nfs/dbraw/zinc/32/98/71/1020329871.db2.gz UDPBKIJFYJWUKB-CQSZACIVSA-N 1 3 305.422 3.510 20 5 DHBDHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471793 1027558421 /nfs/dbraw/zinc/55/84/21/1027558421.db2.gz PZTZJJJKADQWCA-VXGBXAGGSA-N 1 3 319.430 3.711 20 5 DHBDHO CCC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068650 1039024504 /nfs/dbraw/zinc/02/45/04/1039024504.db2.gz BLMKLBMPQPQHJZ-YJBOKZPZSA-N 1 3 319.449 3.758 20 5 DHBDHO CCC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068647 1039025631 /nfs/dbraw/zinc/02/56/31/1039025631.db2.gz BLMKLBMPQPQHJZ-CRAIPNDOSA-N 1 3 319.449 3.758 20 5 DHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000182684683 336280868 /nfs/dbraw/zinc/28/08/68/336280868.db2.gz MZYAYGVLNHZBDK-HNNXBMFYSA-N 1 3 319.449 3.628 20 5 DHBDHO CCC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423279829 337709228 /nfs/dbraw/zinc/70/92/28/337709228.db2.gz SPJRSFQWMCKWGB-XIRDDKMYSA-N 1 3 305.422 3.543 20 5 DHBDHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173422452 340364585 /nfs/dbraw/zinc/36/45/85/340364585.db2.gz RAYAIEHHMFUCFC-CJNGLKHVSA-N 1 3 307.438 3.612 20 5 DHBDHO CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc([N+](=O)[O-])c1 ZINC000296009738 1024106355 /nfs/dbraw/zinc/10/63/55/1024106355.db2.gz QZYGCPILCTXZBR-YCXXCVGLSA-N 1 3 317.433 3.651 20 5 DHBDHO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)N ZINC000423449241 1027547593 /nfs/dbraw/zinc/54/75/93/1027547593.db2.gz REUFQYQBIJWJNL-TUAOUCFPSA-N 1 3 319.430 3.710 20 5 DHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+](C)C)CC1 ZINC000501772085 340088369 /nfs/dbraw/zinc/08/83/69/340088369.db2.gz VFPWWIORMGJYCW-OAHLLOKOSA-N 1 3 319.449 3.710 20 5 DHBDHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173422478 340364679 /nfs/dbraw/zinc/36/46/79/340364679.db2.gz RAYAIEHHMFUCFC-CZUORRHYSA-N 1 3 307.438 3.612 20 5 DHBDHO CCCCN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000164475740 1017762667 /nfs/dbraw/zinc/76/26/67/1017762667.db2.gz ATNJEEYMINWDGT-OAHLLOKOSA-N 1 3 319.449 3.818 20 5 DHBDHO Cc1ccc(CN(C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001175688293 1035084669 /nfs/dbraw/zinc/08/46/69/1035084669.db2.gz OYEFBJRYVQCCOI-UHFFFAOYSA-N 1 3 319.449 3.601 20 5 DHBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCCCC1 ZINC000414857412 334130335 /nfs/dbraw/zinc/13/03/35/334130335.db2.gz DDZDPVGMVAFWTJ-HNNXBMFYSA-N 1 3 319.449 3.557 20 5 DHBDHO CCC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423279826 337709200 /nfs/dbraw/zinc/70/92/00/337709200.db2.gz SPJRSFQWMCKWGB-BHYGNILZSA-N 1 3 305.422 3.543 20 5 DHBDHO Cc1c([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000423295710 337710641 /nfs/dbraw/zinc/71/06/41/337710641.db2.gz XIAQLTMNXZSQJR-UONOGXRCSA-N 1 3 313.401 3.774 20 5 DHBDHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173422437 340364659 /nfs/dbraw/zinc/36/46/59/340364659.db2.gz RAYAIEHHMFUCFC-BBRMVZONSA-N 1 3 307.438 3.612 20 5 DHBDHO Cc1ccc([C@H](C)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000550887423 341325855 /nfs/dbraw/zinc/32/58/55/341325855.db2.gz VYVGTNDINNQYFF-INIZCTEOSA-N 1 3 319.449 3.820 20 5 DHBDHO CCC[C@H]([NH2+]CCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000336864119 1013019114 /nfs/dbraw/zinc/01/91/14/1013019114.db2.gz DXJKRIGQAGQWHI-SFHVURJKSA-N 1 3 319.449 3.902 20 5 DHBDHO CC[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000355064956 1025597811 /nfs/dbraw/zinc/59/78/11/1025597811.db2.gz LXYRNTVKCPOAHT-KRWDZBQOSA-N 1 3 319.449 3.758 20 5 DHBDHO CCC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068648 1039026207 /nfs/dbraw/zinc/02/62/07/1039026207.db2.gz BLMKLBMPQPQHJZ-MAUKXSAKSA-N 1 3 319.449 3.758 20 5 DHBDHO CC[NH+](CC)CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044413 332032499 /nfs/dbraw/zinc/03/24/99/332032499.db2.gz PIEAWGXVNYECCS-OAHLLOKOSA-N 1 3 319.449 3.710 20 5 DHBDHO Cc1ccc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000546931193 341187001 /nfs/dbraw/zinc/18/70/01/341187001.db2.gz RVHGVIDVETXSMG-HNNXBMFYSA-N 1 3 319.449 3.676 20 5 DHBDHO CCCCN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122965593 1020333312 /nfs/dbraw/zinc/33/33/12/1020333312.db2.gz DJEBNMJBGKWEMX-CQSZACIVSA-N 1 3 305.422 3.510 20 5 DHBDHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423517025 1027577269 /nfs/dbraw/zinc/57/72/69/1027577269.db2.gz YKKBEMFWTJJLPV-RDTXWAMCSA-N 1 3 313.401 3.726 20 5 DHBDHO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+](C)C)c1 ZINC000925315697 1031755622 /nfs/dbraw/zinc/75/56/22/1031755622.db2.gz YUMVAVDTGNNAPT-CQSZACIVSA-N 1 3 313.401 3.507 20 5 DHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCCN)C1CCCCC1 ZINC001173215677 1033598461 /nfs/dbraw/zinc/59/84/61/1033598461.db2.gz YJYPMXDVVNVSOB-OAHLLOKOSA-N 1 3 319.449 3.509 20 5 DHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCCN)C1CCCCC1 ZINC001173215677 1033598463 /nfs/dbraw/zinc/59/84/63/1033598463.db2.gz YJYPMXDVVNVSOB-OAHLLOKOSA-N 1 3 319.449 3.509 20 5 DHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000182684667 336280905 /nfs/dbraw/zinc/28/09/05/336280905.db2.gz MZYAYGVLNHZBDK-OAHLLOKOSA-N 1 3 319.449 3.628 20 5 DHBDHO CC[NH+](CC)CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488403227 339779797 /nfs/dbraw/zinc/77/97/97/339779797.db2.gz XRIQXCHOFFGOPI-OAHLLOKOSA-N 1 3 319.449 3.710 20 5 DHBDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000567870931 341637807 /nfs/dbraw/zinc/63/78/07/341637807.db2.gz ZKEVVCBLJWHDCO-RYUDHWBXSA-N 1 3 319.430 3.539 20 5 DHBDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000567870930 341637864 /nfs/dbraw/zinc/63/78/64/341637864.db2.gz ZKEVVCBLJWHDCO-NWDGAFQWSA-N 1 3 319.430 3.539 20 5 DHBDHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000123699230 1025393793 /nfs/dbraw/zinc/39/37/93/1025393793.db2.gz PYFCGMUURSIGCN-CQSZACIVSA-N 1 3 313.401 3.507 20 5 DHBDHO C[C@@H](NC1CCC(C)([NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872091403 1031488821 /nfs/dbraw/zinc/48/88/21/1031488821.db2.gz HDVDMAAJNGJNTF-SFYCDEOASA-N 1 3 323.412 3.647 20 5 DHBDHO CC[NH+](CC)CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488403226 339779839 /nfs/dbraw/zinc/77/98/39/339779839.db2.gz XRIQXCHOFFGOPI-HNNXBMFYSA-N 1 3 319.449 3.710 20 5 DHBDHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246999326 341359793 /nfs/dbraw/zinc/35/97/93/341359793.db2.gz KOEFYIJWZGKYOR-HZPDHXFCSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246999326 341359794 /nfs/dbraw/zinc/35/97/94/341359794.db2.gz KOEFYIJWZGKYOR-HZPDHXFCSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423301961 1027502149 /nfs/dbraw/zinc/50/21/49/1027502149.db2.gz UTWHUHYTORPXAE-NWDGAFQWSA-N 1 3 319.430 3.569 20 5 DHBDHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449235 1027548010 /nfs/dbraw/zinc/54/80/10/1027548010.db2.gz REUFQYQBIJWJNL-SRVKXCTJSA-N 1 3 319.430 3.710 20 5 DHBDHO CCC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068649 1039024277 /nfs/dbraw/zinc/02/42/77/1039024277.db2.gz BLMKLBMPQPQHJZ-QAPCUYQASA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423301963 337711172 /nfs/dbraw/zinc/71/11/72/337711172.db2.gz UTWHUHYTORPXAE-VXGBXAGGSA-N 1 3 319.430 3.569 20 5 DHBDHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423290948 1027485823 /nfs/dbraw/zinc/48/58/23/1027485823.db2.gz GAGCAPODHPXFBC-UGSOOPFHSA-N 1 3 313.401 3.855 20 5 DHBDHO CCC[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314266798 333096749 /nfs/dbraw/zinc/09/67/49/333096749.db2.gz ZMQTYVKDKCPBRN-INIZCTEOSA-N 1 3 307.438 3.613 20 5 DHBDHO CCC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423279827 337709216 /nfs/dbraw/zinc/70/92/16/337709216.db2.gz SPJRSFQWMCKWGB-HYVNUMGLSA-N 1 3 305.422 3.543 20 5 DHBDHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173324905 340362408 /nfs/dbraw/zinc/36/24/08/340362408.db2.gz WLZWQHRNNABGJN-CVEARBPZSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173324905 340362409 /nfs/dbraw/zinc/36/24/09/340362409.db2.gz WLZWQHRNNABGJN-CVEARBPZSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119549175 1016145568 /nfs/dbraw/zinc/14/55/68/1016145568.db2.gz DCFMLTQRIPYBAP-AWEZNQCLSA-N 1 3 313.401 3.507 20 5 DHBDHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502548 1027568777 /nfs/dbraw/zinc/56/87/77/1027568777.db2.gz MBFKHVLLVRHHJH-RDTXWAMCSA-N 1 3 313.401 3.726 20 5 DHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+](C)C)CC1 ZINC000501772083 340088244 /nfs/dbraw/zinc/08/82/44/340088244.db2.gz VFPWWIORMGJYCW-HNNXBMFYSA-N 1 3 319.449 3.710 20 5 DHBDHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245459496 341295539 /nfs/dbraw/zinc/29/55/39/341295539.db2.gz LKXJDAYGDLBFKO-JKSUJKDBSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245459496 341295540 /nfs/dbraw/zinc/29/55/40/341295540.db2.gz LKXJDAYGDLBFKO-JKSUJKDBSA-N 1 3 319.449 3.758 20 5 DHBDHO Cc1ccc([C@@H](C)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000550887424 341325782 /nfs/dbraw/zinc/32/57/82/341325782.db2.gz VYVGTNDINNQYFF-MRXNPFEDSA-N 1 3 319.449 3.820 20 5 DHBDHO CC[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000355064979 1025596657 /nfs/dbraw/zinc/59/66/57/1025596657.db2.gz LXYRNTVKCPOAHT-QGZVFWFLSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCCCC1 ZINC000414857414 334130438 /nfs/dbraw/zinc/13/04/38/334130438.db2.gz DDZDPVGMVAFWTJ-OAHLLOKOSA-N 1 3 319.449 3.557 20 5 DHBDHO CCC[C@@H]([NH2+]CCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000192925927 336284551 /nfs/dbraw/zinc/28/45/51/336284551.db2.gz JLAVSSWNVFNOPU-QGZVFWFLSA-N 1 3 305.422 3.512 20 5 DHBDHO CC[C@H]([NH2+]CCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193024044 336287115 /nfs/dbraw/zinc/28/71/15/336287115.db2.gz GHRZLEIRTMVLOF-KRWDZBQOSA-N 1 3 305.422 3.512 20 5 DHBDHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000123698984 337400559 /nfs/dbraw/zinc/40/05/59/337400559.db2.gz PYFCGMUURSIGCN-AWEZNQCLSA-N 1 3 313.401 3.507 20 5 DHBDHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000246841010 341357636 /nfs/dbraw/zinc/35/76/36/341357636.db2.gz CECJOTQJQKBRRV-JKSUJKDBSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000246841010 341357637 /nfs/dbraw/zinc/35/76/37/341357637.db2.gz CECJOTQJQKBRRV-JKSUJKDBSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466189 1025368888 /nfs/dbraw/zinc/36/88/88/1025368888.db2.gz POYRHYYDDKANDA-AWEZNQCLSA-N 1 3 319.449 3.551 20 5 DHBDHO C[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466189 1025368901 /nfs/dbraw/zinc/36/89/01/1025368901.db2.gz POYRHYYDDKANDA-AWEZNQCLSA-N 1 3 319.449 3.551 20 5 DHBDHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423224729 1027464889 /nfs/dbraw/zinc/46/48/89/1027464889.db2.gz KBOGFGVVVYDVAF-RYUDHWBXSA-N 1 3 319.430 3.711 20 5 DHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001173214437 1033613664 /nfs/dbraw/zinc/61/36/64/1033613664.db2.gz BZXUXXUHMADYRA-CYBMUJFWSA-N 1 3 319.449 3.506 20 5 DHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001173214437 1033613674 /nfs/dbraw/zinc/61/36/74/1033613674.db2.gz BZXUXXUHMADYRA-CYBMUJFWSA-N 1 3 319.449 3.506 20 5 DHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000544896262 341098144 /nfs/dbraw/zinc/09/81/44/341098144.db2.gz SHOGRMFCBHUFMT-OAHLLOKOSA-N 1 3 319.449 3.676 20 5 DHBDHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119549338 1016144852 /nfs/dbraw/zinc/14/48/52/1016144852.db2.gz DCFMLTQRIPYBAP-CQSZACIVSA-N 1 3 313.401 3.507 20 5 DHBDHO CCCCN1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122965370 1020334510 /nfs/dbraw/zinc/33/45/10/1020334510.db2.gz DJEBNMJBGKWEMX-AWEZNQCLSA-N 1 3 305.422 3.510 20 5 DHBDHO CCC[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000576160332 1026112505 /nfs/dbraw/zinc/11/25/05/1026112505.db2.gz ACEADZSSDOMJCS-GOSISDBHSA-N 1 3 313.401 3.685 20 5 DHBDHO CC(C)[N@H+](C)CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524156029 1017905264 /nfs/dbraw/zinc/90/52/64/1017905264.db2.gz BOOVVCRRDGMTTD-OAHLLOKOSA-N 1 3 319.449 3.708 20 5 DHBDHO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524156029 1017905275 /nfs/dbraw/zinc/90/52/75/1017905275.db2.gz BOOVVCRRDGMTTD-OAHLLOKOSA-N 1 3 319.449 3.708 20 5 DHBDHO CC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423290947 1027487344 /nfs/dbraw/zinc/48/73/44/1027487344.db2.gz GAGCAPODHPXFBC-SCLBCKFNSA-N 1 3 313.401 3.855 20 5 DHBDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563135017 333395689 /nfs/dbraw/zinc/39/56/89/333395689.db2.gz BVCDBVKRPVBSLG-VXGBXAGGSA-N 1 3 319.430 3.539 20 5 DHBDHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423286239 1027482528 /nfs/dbraw/zinc/48/25/28/1027482528.db2.gz GFOUGORGKPZUFN-LLVKDONJSA-N 1 3 319.430 3.711 20 5 DHBDHO CCC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423279828 1027494425 /nfs/dbraw/zinc/49/44/25/1027494425.db2.gz SPJRSFQWMCKWGB-PVAVHDDUSA-N 1 3 305.422 3.543 20 5 DHBDHO CC(C)[N@H+](C)CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075713466 1039483837 /nfs/dbraw/zinc/48/38/37/1039483837.db2.gz OOWNFERVGQUHHN-OAHLLOKOSA-N 1 3 319.449 3.708 20 5 DHBDHO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075713466 1039483845 /nfs/dbraw/zinc/48/38/45/1039483845.db2.gz OOWNFERVGQUHHN-OAHLLOKOSA-N 1 3 319.449 3.708 20 5 DHBDHO Cc1ccc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000546931194 341187140 /nfs/dbraw/zinc/18/71/40/341187140.db2.gz RVHGVIDVETXSMG-OAHLLOKOSA-N 1 3 319.449 3.676 20 5 DHBDHO CCCCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000164475648 1017761505 /nfs/dbraw/zinc/76/15/05/1017761505.db2.gz ATNJEEYMINWDGT-HNNXBMFYSA-N 1 3 319.449 3.818 20 5 DHBDHO Cc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423290467 1027487350 /nfs/dbraw/zinc/48/73/50/1027487350.db2.gz DBURMLKEMWNAJR-ZIAGYGMSSA-N 1 3 313.401 3.774 20 5 DHBDHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449242 1027548038 /nfs/dbraw/zinc/54/80/38/1027548038.db2.gz REUFQYQBIJWJNL-UTUOFQBUSA-N 1 3 319.430 3.710 20 5 DHBDHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502547 1027566944 /nfs/dbraw/zinc/56/69/44/1027566944.db2.gz MBFKHVLLVRHHJH-KSSFIOAISA-N 1 3 313.401 3.726 20 5 DHBDHO CCC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314266802 333096780 /nfs/dbraw/zinc/09/67/80/333096780.db2.gz ZMQTYVKDKCPBRN-MRXNPFEDSA-N 1 3 307.438 3.613 20 5 DHBDHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173422467 340364672 /nfs/dbraw/zinc/36/46/72/340364672.db2.gz RAYAIEHHMFUCFC-XJKSGUPXSA-N 1 3 307.438 3.612 20 5 DHBDHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000246840976 341357597 /nfs/dbraw/zinc/35/75/97/341357597.db2.gz CECJOTQJQKBRRV-HZPDHXFCSA-N 1 3 319.449 3.900 20 5 DHBDHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000246840976 341357598 /nfs/dbraw/zinc/35/75/98/341357598.db2.gz CECJOTQJQKBRRV-HZPDHXFCSA-N 1 3 319.449 3.900 20 5 DHBDHO CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc([N+](=O)[O-])c1 ZINC000296009733 1024105886 /nfs/dbraw/zinc/10/58/86/1024105886.db2.gz QZYGCPILCTXZBR-MMNRESRNSA-N 1 3 317.433 3.651 20 5 DHBDHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471790 1027559234 /nfs/dbraw/zinc/55/92/34/1027559234.db2.gz PZTZJJJKADQWCA-NWDGAFQWSA-N 1 3 319.430 3.711 20 5 DHBDHO C[N@@H+]1CCC=C(Nc2ccc3cc4ccc(N)cc4nc3c2)C1 ZINC001175581043 1035050799 /nfs/dbraw/zinc/05/07/99/1035050799.db2.gz WWYYFJQNNQOLEY-UHFFFAOYSA-N 1 3 304.397 3.602 20 5 DHBDHO C[N@H+]1CCC=C(Nc2ccc3cc4ccc(N)cc4nc3c2)C1 ZINC001175581043 1035050807 /nfs/dbraw/zinc/05/08/07/1035050807.db2.gz WWYYFJQNNQOLEY-UHFFFAOYSA-N 1 3 304.397 3.602 20 5 DHBDHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245459495 341295558 /nfs/dbraw/zinc/29/55/58/341295558.db2.gz LKXJDAYGDLBFKO-HZPDHXFCSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245459495 341295559 /nfs/dbraw/zinc/29/55/59/341295559.db2.gz LKXJDAYGDLBFKO-HZPDHXFCSA-N 1 3 319.449 3.758 20 5 DHBDHO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075713464 1028532232 /nfs/dbraw/zinc/53/22/32/1028532232.db2.gz OOWNFERVGQUHHN-HNNXBMFYSA-N 1 3 319.449 3.708 20 5 DHBDHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075713464 1028532241 /nfs/dbraw/zinc/53/22/41/1028532241.db2.gz OOWNFERVGQUHHN-HNNXBMFYSA-N 1 3 319.449 3.708 20 5 DHBDHO C[NH2+]CCC1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000469846057 339302539 /nfs/dbraw/zinc/30/25/39/339302539.db2.gz HBSYLRHJKNBVTM-UHFFFAOYSA-N 1 3 319.449 3.540 20 5 DHBDHO CCC[C@H](NCc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000576160333 1026110936 /nfs/dbraw/zinc/11/09/36/1026110936.db2.gz ACEADZSSDOMJCS-SFHVURJKSA-N 1 3 313.401 3.685 20 5 DHBDHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423517020 1027577789 /nfs/dbraw/zinc/57/77/89/1027577789.db2.gz YKKBEMFWTJJLPV-KDOFPFPSSA-N 1 3 313.401 3.726 20 5 DHBDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000567870929 1028965674 /nfs/dbraw/zinc/96/56/74/1028965674.db2.gz ZKEVVCBLJWHDCO-NEPJUHHUSA-N 1 3 319.430 3.539 20 5 DHBDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563135014 333395733 /nfs/dbraw/zinc/39/57/33/333395733.db2.gz BVCDBVKRPVBSLG-NWDGAFQWSA-N 1 3 319.430 3.539 20 5 DHBDHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640022 337165705 /nfs/dbraw/zinc/16/57/05/337165705.db2.gz JNGBAFLPQHFACT-CQSZACIVSA-N 1 3 313.401 3.507 20 5 DHBDHO CCC[C@@H]([NH2+]CCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000336864118 1013016009 /nfs/dbraw/zinc/01/60/09/1013016009.db2.gz DXJKRIGQAGQWHI-GOSISDBHSA-N 1 3 319.449 3.902 20 5 DHBDHO CC1([NH+]2CCCC2)CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000922508928 1020106677 /nfs/dbraw/zinc/10/66/77/1020106677.db2.gz DSYUYCLELZDFRE-UHFFFAOYSA-N 1 3 323.462 3.543 20 5 DHBDHO CCCCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122960998 1020329340 /nfs/dbraw/zinc/32/93/40/1020329340.db2.gz UDPBKIJFYJWUKB-AWEZNQCLSA-N 1 3 305.422 3.510 20 5 DHBDHO C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+](C)C)c1 ZINC000925315694 1031754669 /nfs/dbraw/zinc/75/46/69/1031754669.db2.gz YUMVAVDTGNNAPT-AWEZNQCLSA-N 1 3 313.401 3.507 20 5 DHBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001173214438 1033615161 /nfs/dbraw/zinc/61/51/61/1033615161.db2.gz BZXUXXUHMADYRA-ZDUSSCGKSA-N 1 3 319.449 3.506 20 5 DHBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001173214438 1033615163 /nfs/dbraw/zinc/61/51/63/1033615163.db2.gz BZXUXXUHMADYRA-ZDUSSCGKSA-N 1 3 319.449 3.506 20 5 DHBDHO CCCCN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000164475495 1038199499 /nfs/dbraw/zinc/19/94/99/1038199499.db2.gz PWBVJIIVMGEHGV-OAHLLOKOSA-N 1 3 319.449 3.818 20 5 DHBDHO Cc1c([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000545519269 341128221 /nfs/dbraw/zinc/12/82/21/341128221.db2.gz YKSVAYZQPQSJKI-OAHLLOKOSA-N 1 3 319.449 3.676 20 5 DHBDHO Cc1c([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000423295709 1027503253 /nfs/dbraw/zinc/50/32/53/1027503253.db2.gz XIAQLTMNXZSQJR-KGLIPLIRSA-N 1 3 313.401 3.774 20 5 DHBDHO CC[C@@H](NCc1ccccc1C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000593323025 1040714790 /nfs/dbraw/zinc/71/47/90/1040714790.db2.gz OKBRROPKHWYFDE-GOSISDBHSA-N 1 3 313.401 3.555 20 5 DHBDHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122961575 1020329902 /nfs/dbraw/zinc/32/99/02/1020329902.db2.gz ZNBFFPPKMKLGML-HNNXBMFYSA-N 1 3 319.449 3.818 20 5 DHBDHO CC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423290945 1027485758 /nfs/dbraw/zinc/48/57/58/1027485758.db2.gz GAGCAPODHPXFBC-ACJLOTCBSA-N 1 3 313.401 3.855 20 5 DHBDHO Cc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423290466 1027486299 /nfs/dbraw/zinc/48/62/99/1027486299.db2.gz DBURMLKEMWNAJR-UONOGXRCSA-N 1 3 313.401 3.774 20 5 DHBDHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449244 1027547102 /nfs/dbraw/zinc/54/71/02/1027547102.db2.gz REUFQYQBIJWJNL-WOPDTQHZSA-N 1 3 319.430 3.710 20 5 DHBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCCN)C1CCCCC1 ZINC001173215674 1033598175 /nfs/dbraw/zinc/59/81/75/1033598175.db2.gz YJYPMXDVVNVSOB-HNNXBMFYSA-N 1 3 319.449 3.509 20 5 DHBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCCN)C1CCCCC1 ZINC001173215674 1033598181 /nfs/dbraw/zinc/59/81/81/1033598181.db2.gz YJYPMXDVVNVSOB-HNNXBMFYSA-N 1 3 319.449 3.509 20 5 DHBDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563135013 333395587 /nfs/dbraw/zinc/39/55/87/333395587.db2.gz BVCDBVKRPVBSLG-NEPJUHHUSA-N 1 3 319.430 3.539 20 5 DHBDHO CCC[C@H]([NH2+]CCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000192925915 336284458 /nfs/dbraw/zinc/28/44/58/336284458.db2.gz JLAVSSWNVFNOPU-KRWDZBQOSA-N 1 3 305.422 3.512 20 5 DHBDHO CC(C)c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459724504 339044331 /nfs/dbraw/zinc/04/43/31/339044331.db2.gz FBNPVCDUMYKYJR-OAHLLOKOSA-N 1 3 319.449 3.540 20 5 DHBDHO CC(C)c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459724504 339044332 /nfs/dbraw/zinc/04/43/32/339044332.db2.gz FBNPVCDUMYKYJR-OAHLLOKOSA-N 1 3 319.449 3.540 20 5 DHBDHO CC(C)c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459724503 339044433 /nfs/dbraw/zinc/04/44/33/339044433.db2.gz FBNPVCDUMYKYJR-HNNXBMFYSA-N 1 3 319.449 3.540 20 5 DHBDHO CC(C)c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459724503 339044434 /nfs/dbraw/zinc/04/44/34/339044434.db2.gz FBNPVCDUMYKYJR-HNNXBMFYSA-N 1 3 319.449 3.540 20 5 DHBDHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173325078 340362263 /nfs/dbraw/zinc/36/22/63/340362263.db2.gz LKXJDAYGDLBFKO-HOTGVXAUSA-N 1 3 319.449 3.758 20 5 DHBDHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173325078 340362264 /nfs/dbraw/zinc/36/22/64/340362264.db2.gz LKXJDAYGDLBFKO-HOTGVXAUSA-N 1 3 319.449 3.758 20 5 DHBDHO Cc1c([C@@H](C)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000556234147 341498520 /nfs/dbraw/zinc/49/85/20/341498520.db2.gz VEQSUPMXZRUFJW-MRXNPFEDSA-N 1 3 319.449 3.820 20 5 DHBDHO CC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423290946 1027486285 /nfs/dbraw/zinc/48/62/85/1027486285.db2.gz GAGCAPODHPXFBC-FZKQIMNGSA-N 1 3 313.401 3.855 20 5 DHBDHO Cc1c([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000423295711 1027504606 /nfs/dbraw/zinc/50/46/06/1027504606.db2.gz XIAQLTMNXZSQJR-ZIAGYGMSSA-N 1 3 313.401 3.774 20 5 DHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000544896261 341098023 /nfs/dbraw/zinc/09/80/23/341098023.db2.gz SHOGRMFCBHUFMT-HNNXBMFYSA-N 1 3 319.449 3.676 20 5 DHBDHO CCCCN1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122961721 1020328979 /nfs/dbraw/zinc/32/89/79/1020328979.db2.gz ZNBFFPPKMKLGML-OAHLLOKOSA-N 1 3 319.449 3.818 20 5 DHBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000876559481 1033091720 /nfs/dbraw/zinc/09/17/20/1033091720.db2.gz ABYZNIZNQNTQLV-UHFFFAOYSA-N 1 3 319.449 3.516 20 5 DHBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000876559481 1033091729 /nfs/dbraw/zinc/09/17/29/1033091729.db2.gz ABYZNIZNQNTQLV-UHFFFAOYSA-N 1 3 319.449 3.516 20 5 DHBDHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423224728 1027466014 /nfs/dbraw/zinc/46/60/14/1027466014.db2.gz KBOGFGVVVYDVAF-NWDGAFQWSA-N 1 3 319.430 3.711 20 5 DHBDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000567870932 341637809 /nfs/dbraw/zinc/63/78/09/341637809.db2.gz ZKEVVCBLJWHDCO-VXGBXAGGSA-N 1 3 319.430 3.539 20 5 DHBDHO