smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134900252 836206519 /nfs/dbraw/zinc/20/65/19/836206519.db2.gz QGQYODRYPFXQNH-ZSZQSSIHSA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134900252 836206525 /nfs/dbraw/zinc/20/65/25/836206525.db2.gz QGQYODRYPFXQNH-ZSZQSSIHSA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134900252 836206531 /nfs/dbraw/zinc/20/65/31/836206531.db2.gz QGQYODRYPFXQNH-ZSZQSSIHSA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134900252 836206535 /nfs/dbraw/zinc/20/65/35/836206535.db2.gz QGQYODRYPFXQNH-ZSZQSSIHSA-N 2 2 397.479 3.655 20 5 GHBDLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180403173 837210183 /nfs/dbraw/zinc/21/01/83/837210183.db2.gz VSJOCTXSSBCWDY-QFIPXVFZSA-N 2 2 383.492 3.775 20 5 GHBDLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)Cc2ccccc2C1 ZINC000483720813 859559073 /nfs/dbraw/zinc/55/90/73/859559073.db2.gz HJWYEBUYSKPUDA-NRFANRHFSA-N 2 2 379.504 3.605 20 5 GHBDLP COc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000608837096 865740504 /nfs/dbraw/zinc/74/05/04/865740504.db2.gz OLAIHOWDCOYSJV-UHFFFAOYSA-N 2 2 385.464 3.970 20 5 GHBDLP CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805852 874559663 /nfs/dbraw/zinc/55/96/63/874559663.db2.gz NRAUJCBAGVLUCC-UHFFFAOYSA-N 2 2 384.480 3.607 20 5 GHBDLP CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805852 874559668 /nfs/dbraw/zinc/55/96/68/874559668.db2.gz NRAUJCBAGVLUCC-UHFFFAOYSA-N 2 2 384.480 3.607 20 5 GHBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183501528 912597324 /nfs/dbraw/zinc/59/73/24/912597324.db2.gz XMORCWMBKOSDLW-UZLBHIALSA-N 2 2 393.447 3.540 20 5 GHBDLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173222266 906301481 /nfs/dbraw/zinc/30/14/81/906301481.db2.gz VUZJZXLEGNLHBC-KRWDZBQOSA-N 2 2 383.492 3.789 20 5 GHBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001173233293 906318608 /nfs/dbraw/zinc/31/86/08/906318608.db2.gz HYVRMEQCYJCDSG-YVEFUNNKSA-N 2 2 378.270 3.578 20 5 GHBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000557684710 931611459 /nfs/dbraw/zinc/61/14/59/931611459.db2.gz IPSKJYRYLGYJLO-UHFFFAOYSA-N 2 2 388.374 3.731 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]([NH3+])c1ccccc1 ZINC001219005329 1031208256 /nfs/dbraw/zinc/20/82/56/1031208256.db2.gz LBLOPGDOUSBNPR-NRFANRHFSA-N 2 2 386.455 3.595 20 5 GHBDLP Cc1ccc(N(C2CC[NH2+]CC2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC001254482952 1040271321 /nfs/dbraw/zinc/27/13/21/1040271321.db2.gz NHAPJHNFXBDCQG-UHFFFAOYSA-N 2 2 395.507 3.526 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001254539913 1040309972 /nfs/dbraw/zinc/30/99/72/1040309972.db2.gz LVRDVYYJTUCMES-MLGOLLRUSA-N 2 2 378.270 3.578 20 5 GHBDLP CCOc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001307759062 1049572471 /nfs/dbraw/zinc/57/24/71/1049572471.db2.gz WEQCPZBVOPHNFP-UHFFFAOYSA-N 2 2 392.459 3.864 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420943062 847586813 /nfs/dbraw/zinc/58/68/13/847586813.db2.gz WHAOJNHGNGITPE-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420943062 847586828 /nfs/dbraw/zinc/58/68/28/847586828.db2.gz WHAOJNHGNGITPE-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000482698923 858773840 /nfs/dbraw/zinc/77/38/40/858773840.db2.gz MFLNAXUVFSVJCL-UHFFFAOYSA-N 2 2 394.479 3.605 20 5 GHBDLP CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000482698923 858773851 /nfs/dbraw/zinc/77/38/51/858773851.db2.gz MFLNAXUVFSVJCL-UHFFFAOYSA-N 2 2 394.479 3.605 20 5 GHBDLP COc1ccc(C[C@H](C)[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170355420 881397347 /nfs/dbraw/zinc/39/73/47/881397347.db2.gz DPLPZEVLKKVMGC-INIZCTEOSA-N 2 2 375.513 3.873 20 5 GHBDLP COc1ccc(C[C@H](C)[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170355420 881397407 /nfs/dbraw/zinc/39/74/07/881397407.db2.gz DPLPZEVLKKVMGC-INIZCTEOSA-N 2 2 375.513 3.873 20 5 GHBDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602547530 860092784 /nfs/dbraw/zinc/09/27/84/860092784.db2.gz UOFYQSTXNQRZNN-QGZVFWFLSA-N 2 2 397.523 3.678 20 5 GHBDLP CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029862 865906027 /nfs/dbraw/zinc/90/60/27/865906027.db2.gz WQLZXNUIXHGLLG-UHFFFAOYSA-N 2 2 395.463 3.729 20 5 GHBDLP CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029862 865906039 /nfs/dbraw/zinc/90/60/39/865906039.db2.gz WQLZXNUIXHGLLG-UHFFFAOYSA-N 2 2 395.463 3.729 20 5 GHBDLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000446838885 870559241 /nfs/dbraw/zinc/55/92/41/870559241.db2.gz NBWXLIBJDCJVBO-NVXWUHKLSA-N 2 2 379.464 3.614 20 5 GHBDLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000446838885 870559250 /nfs/dbraw/zinc/55/92/50/870559250.db2.gz NBWXLIBJDCJVBO-NVXWUHKLSA-N 2 2 379.464 3.614 20 5 GHBDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000453323429 880793670 /nfs/dbraw/zinc/79/36/70/880793670.db2.gz JNPSMBKIGCTNLK-MRXNPFEDSA-N 2 2 396.491 3.868 20 5 GHBDLP CCOC(=O)n1nc2c(c1Nc1ccccc1C[N+](C)(C)CC)C[NH2+]C2(C)C ZINC001170759852 893086842 /nfs/dbraw/zinc/08/68/42/893086842.db2.gz GLWDLSTXKSHWKR-UHFFFAOYSA-N 2 2 386.520 3.566 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000533846727 893228968 /nfs/dbraw/zinc/22/89/68/893228968.db2.gz VDSJUIJLUIEWHQ-UHFFFAOYSA-N 2 2 398.507 3.732 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000533846727 893228986 /nfs/dbraw/zinc/22/89/86/893228986.db2.gz VDSJUIJLUIEWHQ-UHFFFAOYSA-N 2 2 398.507 3.732 20 5 GHBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570847849 899638240 /nfs/dbraw/zinc/63/82/40/899638240.db2.gz BVDCGWOIHMXBFV-KKSFZXQISA-N 2 2 393.491 3.514 20 5 GHBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570847849 899638245 /nfs/dbraw/zinc/63/82/45/899638245.db2.gz BVDCGWOIHMXBFV-KKSFZXQISA-N 2 2 393.491 3.514 20 5 GHBDLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]([NH3+])Cc1c3ccccc3cc3ccccc31)CC2 ZINC001158347382 1034038893 /nfs/dbraw/zinc/03/88/93/1034038893.db2.gz JGFGVMKDMPCGLQ-QFIPXVFZSA-N 2 2 398.510 3.522 20 5 GHBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001254539911 1040310779 /nfs/dbraw/zinc/31/07/79/1040310779.db2.gz LVRDVYYJTUCMES-BLLLJJGKSA-N 2 2 378.270 3.578 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001474233839 1074302601 /nfs/dbraw/zinc/30/26/01/1074302601.db2.gz GHMHUYAFDJPVEE-FXAWDEMLSA-N 2 2 383.492 3.851 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001474233839 1074302609 /nfs/dbraw/zinc/30/26/09/1074302609.db2.gz GHMHUYAFDJPVEE-FXAWDEMLSA-N 2 2 383.492 3.851 20 5 GHBDLP COc1c(O)ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001474755849 1074546948 /nfs/dbraw/zinc/54/69/48/1074546948.db2.gz VSIAWUUJGCQMCA-AWEZNQCLSA-N 2 2 388.468 3.640 20 5 GHBDLP COc1c(O)ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001474755849 1074546953 /nfs/dbraw/zinc/54/69/53/1074546953.db2.gz VSIAWUUJGCQMCA-AWEZNQCLSA-N 2 2 388.468 3.640 20 5 GHBDLP CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768960 839970438 /nfs/dbraw/zinc/97/04/38/839970438.db2.gz YWXSQMCSYUXRSF-SFTDATJTSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768960 839970447 /nfs/dbraw/zinc/97/04/47/839970447.db2.gz YWXSQMCSYUXRSF-SFTDATJTSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768960 839970453 /nfs/dbraw/zinc/97/04/53/839970453.db2.gz YWXSQMCSYUXRSF-SFTDATJTSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768960 839970459 /nfs/dbraw/zinc/97/04/59/839970459.db2.gz YWXSQMCSYUXRSF-SFTDATJTSA-N 2 2 395.503 3.947 20 5 GHBDLP Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302127534 861212871 /nfs/dbraw/zinc/21/28/71/861212871.db2.gz BEXAQOJSWOIRPA-LJQANCHMSA-N 2 2 398.488 3.998 20 5 GHBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)[nH+]c2)C1 ZINC000433215730 843867573 /nfs/dbraw/zinc/86/75/73/843867573.db2.gz RAYNHXSLPDXMNK-FXAWDEMLSA-N 2 2 395.507 3.965 20 5 GHBDLP COc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000422561714 847692528 /nfs/dbraw/zinc/69/25/28/847692528.db2.gz MXHGTTRZNLXKDQ-UHFFFAOYSA-N 2 2 397.475 3.510 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878284 881765701 /nfs/dbraw/zinc/76/57/01/881765701.db2.gz UKERFLCFQRIZFI-BEFAXECRSA-N 2 2 384.436 3.503 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878284 881765725 /nfs/dbraw/zinc/76/57/25/881765725.db2.gz UKERFLCFQRIZFI-BEFAXECRSA-N 2 2 384.436 3.503 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709262 871270211 /nfs/dbraw/zinc/27/02/11/871270211.db2.gz JJGKKBGERMNCHE-QFBILLFUSA-N 2 2 399.491 3.755 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709262 871270229 /nfs/dbraw/zinc/27/02/29/871270229.db2.gz JJGKKBGERMNCHE-QFBILLFUSA-N 2 2 399.491 3.755 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709260 871270677 /nfs/dbraw/zinc/27/06/77/871270677.db2.gz JJGKKBGERMNCHE-APWZRJJASA-N 2 2 399.491 3.755 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709260 871270689 /nfs/dbraw/zinc/27/06/89/871270689.db2.gz JJGKKBGERMNCHE-APWZRJJASA-N 2 2 399.491 3.755 20 5 GHBDLP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000768302666 873220532 /nfs/dbraw/zinc/22/05/32/873220532.db2.gz JLLWUXJCCMEAJF-UHFFFAOYSA-N 2 2 382.302 3.665 20 5 GHBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000105464712 875299818 /nfs/dbraw/zinc/29/98/18/875299818.db2.gz RSJCZJIUMDBXNF-CQSZACIVSA-N 2 2 392.500 3.788 20 5 GHBDLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402871 894939317 /nfs/dbraw/zinc/93/93/17/894939317.db2.gz ARZWGORQSKLDMK-VQTJNVASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402871 894939327 /nfs/dbraw/zinc/93/93/27/894939327.db2.gz ARZWGORQSKLDMK-VQTJNVASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402871 894939333 /nfs/dbraw/zinc/93/93/33/894939333.db2.gz ARZWGORQSKLDMK-VQTJNVASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402871 894939339 /nfs/dbraw/zinc/93/93/39/894939339.db2.gz ARZWGORQSKLDMK-VQTJNVASSA-N 2 2 381.476 3.557 20 5 GHBDLP C[C@H]([NH2+]C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000819065254 896382303 /nfs/dbraw/zinc/38/23/03/896382303.db2.gz FKEPREAPYJUDGW-UWJYYQICSA-N 2 2 383.492 3.881 20 5 GHBDLP [NH2+]=c1ccc2nc3c(cc(NC(=O)CCn4cc[nH+]c4)c4ccccc43)oc-2c1 ZINC001176878611 908286663 /nfs/dbraw/zinc/28/66/63/908286663.db2.gz AWAMAYBBQJCIAO-UHFFFAOYSA-N 2 2 383.411 3.791 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000750074380 927420403 /nfs/dbraw/zinc/42/04/03/927420403.db2.gz XQBHHKDHGDKPEU-XZOQPEGZSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000750074380 927420410 /nfs/dbraw/zinc/42/04/10/927420410.db2.gz XQBHHKDHGDKPEU-XZOQPEGZSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000750074380 927420417 /nfs/dbraw/zinc/42/04/17/927420417.db2.gz XQBHHKDHGDKPEU-XZOQPEGZSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000750074380 927420422 /nfs/dbraw/zinc/42/04/22/927420422.db2.gz XQBHHKDHGDKPEU-XZOQPEGZSA-N 2 2 395.503 3.616 20 5 GHBDLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5ccc6cccnc6c5n4)C[C@H]3C2)c1 ZINC001232219787 1035168462 /nfs/dbraw/zinc/16/84/62/1035168462.db2.gz FAWCSBCARMLVKF-FGZHOGPDSA-N 2 2 395.510 3.742 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020212 839951920 /nfs/dbraw/zinc/95/19/20/839951920.db2.gz NUOYCWHAKXPYJW-DYVFJYSZSA-N 2 2 391.493 3.543 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020212 839951932 /nfs/dbraw/zinc/95/19/32/839951932.db2.gz NUOYCWHAKXPYJW-DYVFJYSZSA-N 2 2 391.493 3.543 20 5 GHBDLP CC1(C)C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279595 843950568 /nfs/dbraw/zinc/95/05/68/843950568.db2.gz UDIGWINWRYTRDQ-GMAHTHKFSA-N 2 2 395.503 3.544 20 5 GHBDLP CC1(C)C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279595 843950573 /nfs/dbraw/zinc/95/05/73/843950573.db2.gz UDIGWINWRYTRDQ-GMAHTHKFSA-N 2 2 395.503 3.544 20 5 GHBDLP C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611517946 859797975 /nfs/dbraw/zinc/79/79/75/859797975.db2.gz BFRMPAUKMFHEGA-NVXWUHKLSA-N 2 2 380.448 3.736 20 5 GHBDLP C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611517946 859797977 /nfs/dbraw/zinc/79/79/77/859797977.db2.gz BFRMPAUKMFHEGA-NVXWUHKLSA-N 2 2 380.448 3.736 20 5 GHBDLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649927 867004962 /nfs/dbraw/zinc/00/49/62/867004962.db2.gz LTFRNXIZMHQJKO-INIZCTEOSA-N 2 2 385.512 3.948 20 5 GHBDLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649927 867004965 /nfs/dbraw/zinc/00/49/65/867004965.db2.gz LTFRNXIZMHQJKO-INIZCTEOSA-N 2 2 385.512 3.948 20 5 GHBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001168967717 871062225 /nfs/dbraw/zinc/06/22/25/871062225.db2.gz SPVJUEPJAJSRQO-CRAIPNDOSA-N 2 2 385.430 3.705 20 5 GHBDLP CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801379 874512852 /nfs/dbraw/zinc/51/28/52/874512852.db2.gz FYNUUHWNPYULCI-UHFFFAOYSA-N 2 2 384.480 3.607 20 5 GHBDLP CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801379 874512857 /nfs/dbraw/zinc/51/28/57/874512857.db2.gz FYNUUHWNPYULCI-UHFFFAOYSA-N 2 2 384.480 3.607 20 5 GHBDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040757 891130800 /nfs/dbraw/zinc/13/08/00/891130800.db2.gz MZTUNPBHAJHHHD-OAHLLOKOSA-N 2 2 387.455 3.541 20 5 GHBDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000819065251 896383081 /nfs/dbraw/zinc/38/30/81/896383081.db2.gz FKEPREAPYJUDGW-DYESRHJHSA-N 2 2 383.492 3.881 20 5 GHBDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000576221133 901832767 /nfs/dbraw/zinc/83/27/67/901832767.db2.gz XGXJGPDUUHYCPU-UHFFFAOYSA-N 2 2 396.491 3.568 20 5 GHBDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000576221133 901832780 /nfs/dbraw/zinc/83/27/80/901832780.db2.gz XGXJGPDUUHYCPU-UHFFFAOYSA-N 2 2 396.491 3.568 20 5 GHBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C(F)(F)F ZINC000600777556 902898563 /nfs/dbraw/zinc/89/85/63/902898563.db2.gz UZQCRLWYORRQGY-CJNGLKHVSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C(F)(F)F ZINC000600777556 902898575 /nfs/dbraw/zinc/89/85/75/902898575.db2.gz UZQCRLWYORRQGY-CJNGLKHVSA-N 2 2 383.370 3.814 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001172911901 906020357 /nfs/dbraw/zinc/02/03/57/906020357.db2.gz KVXCRCBEAXIDBR-FQEVSTJZSA-N 2 2 380.492 3.743 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC([NH3+])(c3ccccc3)CC2)c1F ZINC001173180567 906260143 /nfs/dbraw/zinc/26/01/43/906260143.db2.gz SDJFXSQUOYOBTR-OAHLLOKOSA-N 2 2 387.455 3.624 20 5 GHBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001173233286 906317776 /nfs/dbraw/zinc/31/77/76/906317776.db2.gz HYVRMEQCYJCDSG-PXAZEXFGSA-N 2 2 378.270 3.578 20 5 GHBDLP Cc1nn(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000782943577 931369963 /nfs/dbraw/zinc/36/99/63/931369963.db2.gz VTJQQGQUSYMEEN-UHFFFAOYSA-N 2 2 382.468 3.599 20 5 GHBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC001461089200 1069383254 /nfs/dbraw/zinc/38/32/54/1069383254.db2.gz PDNXWWMUOVNSHZ-UHFFFAOYSA-N 2 2 386.839 3.814 20 5 GHBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228701 1069451950 /nfs/dbraw/zinc/45/19/50/1069451950.db2.gz DWLLITWGRBJELT-BFUOFWGJSA-N 2 2 391.493 3.543 20 5 GHBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228701 1069451953 /nfs/dbraw/zinc/45/19/53/1069451953.db2.gz DWLLITWGRBJELT-BFUOFWGJSA-N 2 2 391.493 3.543 20 5 GHBDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000848529171 1057151630 /nfs/dbraw/zinc/15/16/30/1057151630.db2.gz KZERPNABFZIVMH-NRFANRHFSA-N 2 2 380.492 3.907 20 5 GHBDLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC001474082108 1074257529 /nfs/dbraw/zinc/25/75/29/1074257529.db2.gz KMTJGEKBRXRAIM-IBGZPJMESA-N 2 2 380.448 3.948 20 5 GHBDLP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415100860 839205918 /nfs/dbraw/zinc/20/59/18/839205918.db2.gz AQKXHMNVOKAHAO-LPHOPBHVSA-N 2 2 399.491 3.599 20 5 GHBDLP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415100860 839205930 /nfs/dbraw/zinc/20/59/30/839205930.db2.gz AQKXHMNVOKAHAO-LPHOPBHVSA-N 2 2 399.491 3.599 20 5 GHBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000435434201 850493319 /nfs/dbraw/zinc/49/33/19/850493319.db2.gz WLRKRHVTQAPNEE-SFHVURJKSA-N 2 2 375.469 3.940 20 5 GHBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000435434201 850493324 /nfs/dbraw/zinc/49/33/24/850493324.db2.gz WLRKRHVTQAPNEE-SFHVURJKSA-N 2 2 375.469 3.940 20 5 GHBDLP CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395180 857284140 /nfs/dbraw/zinc/28/41/40/857284140.db2.gz VOTPJVSREIBBMS-UHFFFAOYSA-N 2 2 384.480 3.737 20 5 GHBDLP CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395180 857284166 /nfs/dbraw/zinc/28/41/66/857284166.db2.gz VOTPJVSREIBBMS-UHFFFAOYSA-N 2 2 384.480 3.737 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000595018570 858352070 /nfs/dbraw/zinc/35/20/70/858352070.db2.gz RYRGYEURHFFJPL-IRXDYDNUSA-N 2 2 399.491 3.675 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000595018570 858352079 /nfs/dbraw/zinc/35/20/79/858352079.db2.gz RYRGYEURHFFJPL-IRXDYDNUSA-N 2 2 399.491 3.675 20 5 GHBDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602570543 860120928 /nfs/dbraw/zinc/12/09/28/860120928.db2.gz CDXSXYXAHPCGTG-UHFFFAOYSA-N 2 2 389.418 3.593 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000766009540 860876923 /nfs/dbraw/zinc/87/69/23/860876923.db2.gz KEUTWXNYDRUKGB-QHCPKHFHSA-N 2 2 394.519 3.818 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000766009540 860876934 /nfs/dbraw/zinc/87/69/34/860876934.db2.gz KEUTWXNYDRUKGB-QHCPKHFHSA-N 2 2 394.519 3.818 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598309 871914155 /nfs/dbraw/zinc/91/41/55/871914155.db2.gz UZNHVHXOEZKTSW-JTHBVZDNSA-N 2 2 395.503 3.853 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598309 871914166 /nfs/dbraw/zinc/91/41/66/871914166.db2.gz UZNHVHXOEZKTSW-JTHBVZDNSA-N 2 2 395.503 3.853 20 5 GHBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000282022188 873722622 /nfs/dbraw/zinc/72/26/22/873722622.db2.gz KIRORIFSQWRJSQ-AWEZNQCLSA-N 2 2 381.436 3.648 20 5 GHBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000282022188 873722632 /nfs/dbraw/zinc/72/26/32/873722632.db2.gz KIRORIFSQWRJSQ-AWEZNQCLSA-N 2 2 381.436 3.648 20 5 GHBDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000449523636 874998056 /nfs/dbraw/zinc/99/80/56/874998056.db2.gz OCRVKIGRHUSCLF-UHFFFAOYSA-N 2 2 396.491 3.616 20 5 GHBDLP COc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397870 875933182 /nfs/dbraw/zinc/93/31/82/875933182.db2.gz RJCMYHOPULFRBJ-ROUUACIJSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397870 875933189 /nfs/dbraw/zinc/93/31/89/875933189.db2.gz RJCMYHOPULFRBJ-ROUUACIJSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397870 875933200 /nfs/dbraw/zinc/93/32/00/875933200.db2.gz RJCMYHOPULFRBJ-ROUUACIJSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397870 875933207 /nfs/dbraw/zinc/93/32/07/875933207.db2.gz RJCMYHOPULFRBJ-ROUUACIJSA-N 2 2 391.512 3.569 20 5 GHBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537982428 878622027 /nfs/dbraw/zinc/62/20/27/878622027.db2.gz YJDMDDUSTGBFGR-PGRDOPGGSA-N 2 2 382.508 3.813 20 5 GHBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537982428 878622032 /nfs/dbraw/zinc/62/20/32/878622032.db2.gz YJDMDDUSTGBFGR-PGRDOPGGSA-N 2 2 382.508 3.813 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000192694798 883696600 /nfs/dbraw/zinc/69/66/00/883696600.db2.gz WHCNTCNSFDOHLY-QFIPXVFZSA-N 2 2 381.476 3.594 20 5 GHBDLP O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000494817145 883947308 /nfs/dbraw/zinc/94/73/08/883947308.db2.gz YMRNHLAYNBCIKC-UHFFFAOYSA-N 2 2 381.904 3.573 20 5 GHBDLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])[nH+]c2)CC1 ZINC000577388841 902730799 /nfs/dbraw/zinc/73/07/99/902730799.db2.gz PMTHEFRIZOOHAA-LJQANCHMSA-N 2 2 381.480 3.620 20 5 GHBDLP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1[N+](=O)[O-] ZINC000153076224 904328061 /nfs/dbraw/zinc/32/80/61/904328061.db2.gz BHHDOTHAWVLBQT-CQSZACIVSA-N 2 2 381.436 3.733 20 5 GHBDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001177972359 908853360 /nfs/dbraw/zinc/85/33/60/908853360.db2.gz IPUBNDYJWUEXIN-UHFFFAOYSA-N 2 2 387.480 3.834 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000470203878 930450616 /nfs/dbraw/zinc/45/06/16/930450616.db2.gz FUNGPWHDZXBQJL-FOYGFLCZSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000470203878 930450619 /nfs/dbraw/zinc/45/06/19/930450619.db2.gz FUNGPWHDZXBQJL-FOYGFLCZSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000470203878 930450627 /nfs/dbraw/zinc/45/06/27/930450627.db2.gz FUNGPWHDZXBQJL-FOYGFLCZSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470203878 930450634 /nfs/dbraw/zinc/45/06/34/930450634.db2.gz FUNGPWHDZXBQJL-FOYGFLCZSA-N 2 2 395.503 3.567 20 5 GHBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1C(F)(F)F ZINC000600776310 1020248457 /nfs/dbraw/zinc/24/84/57/1020248457.db2.gz QZLXMSFJUDEJKN-IUODEOHRSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1C(F)(F)F ZINC000600776310 1020248466 /nfs/dbraw/zinc/24/84/66/1020248466.db2.gz QZLXMSFJUDEJKN-IUODEOHRSA-N 2 2 383.370 3.814 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccn2c[nH+]cc2c1 ZINC001151902043 1031044876 /nfs/dbraw/zinc/04/48/76/1031044876.db2.gz IRZWXTLGUXNNJT-UHFFFAOYSA-N 2 2 397.438 3.591 20 5 GHBDLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254536861 1040309241 /nfs/dbraw/zinc/30/92/41/1040309241.db2.gz UTZZVWLWDQNBRN-KRWDZBQOSA-N 2 2 383.492 3.789 20 5 GHBDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584743 1040358165 /nfs/dbraw/zinc/35/81/65/1040358165.db2.gz JEAHDCGYDQDMQN-OAQYLSRUSA-N 2 2 383.467 3.764 20 5 GHBDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609518 1040382110 /nfs/dbraw/zinc/38/21/10/1040382110.db2.gz WQNUQYDQEHPPEQ-JOCHJYFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609518 1040382122 /nfs/dbraw/zinc/38/21/22/1040382122.db2.gz WQNUQYDQEHPPEQ-JOCHJYFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 ZINC001308208184 1049912953 /nfs/dbraw/zinc/91/29/53/1049912953.db2.gz LRLUUUNWTYNKSF-LBPRGKRZSA-N 2 2 393.390 3.829 20 5 GHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512480136 843963727 /nfs/dbraw/zinc/96/37/27/843963727.db2.gz LJNONTFAQMWYIS-CVDCTZTESA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512480136 843963734 /nfs/dbraw/zinc/96/37/34/843963734.db2.gz LJNONTFAQMWYIS-CVDCTZTESA-N 2 2 394.519 3.548 20 5 GHBDLP O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000420928611 847548495 /nfs/dbraw/zinc/54/84/95/847548495.db2.gz BUKMDTPNUIWPSI-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000420928611 847548499 /nfs/dbraw/zinc/54/84/99/847548499.db2.gz BUKMDTPNUIWPSI-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000425408339 850852860 /nfs/dbraw/zinc/85/28/60/850852860.db2.gz RWKVZEOXFFADFW-UHFFFAOYSA-N 2 2 382.302 3.665 20 5 GHBDLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000509394571 859301946 /nfs/dbraw/zinc/30/19/46/859301946.db2.gz ZBXARHURDWESQI-GASCZTMLSA-N 2 2 397.466 3.584 20 5 GHBDLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000509394571 859301953 /nfs/dbraw/zinc/30/19/53/859301953.db2.gz ZBXARHURDWESQI-GASCZTMLSA-N 2 2 397.466 3.584 20 5 GHBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429423694 859336272 /nfs/dbraw/zinc/33/62/72/859336272.db2.gz YVJKCARLDKZNNH-SIKLNZKXSA-N 2 2 397.519 3.797 20 5 GHBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429423694 859336279 /nfs/dbraw/zinc/33/62/79/859336279.db2.gz YVJKCARLDKZNNH-SIKLNZKXSA-N 2 2 397.519 3.797 20 5 GHBDLP Cc1nn(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049933 859751822 /nfs/dbraw/zinc/75/18/22/859751822.db2.gz UZEGOHWLYCCLMJ-IBGZPJMESA-N 2 2 393.491 3.664 20 5 GHBDLP Cc1nn(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049933 859751826 /nfs/dbraw/zinc/75/18/26/859751826.db2.gz UZEGOHWLYCCLMJ-IBGZPJMESA-N 2 2 393.491 3.664 20 5 GHBDLP Cc1nn(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049933 859751830 /nfs/dbraw/zinc/75/18/30/859751830.db2.gz UZEGOHWLYCCLMJ-IBGZPJMESA-N 2 2 393.491 3.664 20 5 GHBDLP Cc1nn(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049933 859751834 /nfs/dbraw/zinc/75/18/34/859751834.db2.gz UZEGOHWLYCCLMJ-IBGZPJMESA-N 2 2 393.491 3.664 20 5 GHBDLP O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC001193336716 871029513 /nfs/dbraw/zinc/02/95/13/871029513.db2.gz ZKXKSECWIGPCOJ-UHFFFAOYSA-N 2 2 396.451 3.534 20 5 GHBDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447592651 871900179 /nfs/dbraw/zinc/90/01/79/871900179.db2.gz MWFFUWOXWHHKLZ-QHAWAJNXSA-N 2 2 397.523 3.775 20 5 GHBDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447592651 871900201 /nfs/dbraw/zinc/90/02/01/871900201.db2.gz MWFFUWOXWHHKLZ-QHAWAJNXSA-N 2 2 397.523 3.775 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001199117486 874826445 /nfs/dbraw/zinc/82/64/45/874826445.db2.gz CEYMKSCCCQHIFB-UHFFFAOYSA-N 2 2 383.492 3.790 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850437762 876920453 /nfs/dbraw/zinc/92/04/53/876920453.db2.gz QARDYWYLOCDEIP-MRXNPFEDSA-N 2 2 398.507 3.989 20 5 GHBDLP Cc1nn(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000788382604 878046791 /nfs/dbraw/zinc/04/67/91/878046791.db2.gz OJCRGOPYVJOAKZ-UHFFFAOYSA-N 2 2 394.479 3.623 20 5 GHBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183501526 912597227 /nfs/dbraw/zinc/59/72/27/912597227.db2.gz XMORCWMBKOSDLW-OXJNMPFZSA-N 2 2 393.447 3.540 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000192694787 883696750 /nfs/dbraw/zinc/69/67/50/883696750.db2.gz WHCNTCNSFDOHLY-JOCHJYFZSA-N 2 2 381.476 3.594 20 5 GHBDLP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032166372 884617773 /nfs/dbraw/zinc/61/77/73/884617773.db2.gz ZJVKGYNRCRAQFZ-UHFFFAOYSA-N 2 2 393.447 3.875 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)CC2)cc1 ZINC000883386545 897551000 /nfs/dbraw/zinc/55/10/00/897551000.db2.gz IBRIUGVCEDFFLY-JOCHJYFZSA-N 2 2 391.475 3.791 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001173193949 906279586 /nfs/dbraw/zinc/27/95/86/906279586.db2.gz SDIYZRSURDDKEH-LSDHHAIUSA-N 2 2 389.427 3.530 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001173193949 906279595 /nfs/dbraw/zinc/27/95/95/906279595.db2.gz SDIYZRSURDDKEH-LSDHHAIUSA-N 2 2 389.427 3.530 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000246258608 910207785 /nfs/dbraw/zinc/20/77/85/910207785.db2.gz KOMATUCVFWACAS-YMPZKCBVSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000246258608 910207802 /nfs/dbraw/zinc/20/78/02/910207802.db2.gz KOMATUCVFWACAS-YMPZKCBVSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000246258608 910207823 /nfs/dbraw/zinc/20/78/23/910207823.db2.gz KOMATUCVFWACAS-YMPZKCBVSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000246258608 910207843 /nfs/dbraw/zinc/20/78/43/910207843.db2.gz KOMATUCVFWACAS-YMPZKCBVSA-N 2 2 395.503 3.615 20 5 GHBDLP COc1cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc([N+](=O)[O-])c1 ZINC000903139320 922800764 /nfs/dbraw/zinc/80/07/64/922800764.db2.gz GUBIQYBBMWRNBJ-HNNXBMFYSA-N 2 2 399.495 3.702 20 5 GHBDLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254483835 1040271351 /nfs/dbraw/zinc/27/13/51/1040271351.db2.gz XZLVZMPDHWTHPC-UHFFFAOYSA-N 2 2 386.540 3.902 20 5 GHBDLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254483835 1040271359 /nfs/dbraw/zinc/27/13/59/1040271359.db2.gz XZLVZMPDHWTHPC-UHFFFAOYSA-N 2 2 386.540 3.902 20 5 GHBDLP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 ZINC001308208183 1049912950 /nfs/dbraw/zinc/91/29/50/1049912950.db2.gz LRLUUUNWTYNKSF-GFCCVEGCSA-N 2 2 393.390 3.829 20 5 GHBDLP CC[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001437410287 1063848251 /nfs/dbraw/zinc/84/82/51/1063848251.db2.gz KZFZLPDHKBXNKX-UHFFFAOYSA-N 2 2 399.495 3.555 20 5 GHBDLP CC[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001437410287 1063848267 /nfs/dbraw/zinc/84/82/67/1063848267.db2.gz KZFZLPDHKBXNKX-UHFFFAOYSA-N 2 2 399.495 3.555 20 5 GHBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000549921143 844630163 /nfs/dbraw/zinc/63/01/63/844630163.db2.gz NDTFHSQLPUYICR-UHFFFAOYSA-N 2 2 381.476 3.789 20 5 GHBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000549921143 844630171 /nfs/dbraw/zinc/63/01/71/844630171.db2.gz NDTFHSQLPUYICR-UHFFFAOYSA-N 2 2 381.476 3.789 20 5 GHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512475905 843952213 /nfs/dbraw/zinc/95/22/13/843952213.db2.gz WIPMMGUKEGSQKU-TZIWHRDSSA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512475905 843952219 /nfs/dbraw/zinc/95/22/19/843952219.db2.gz WIPMMGUKEGSQKU-TZIWHRDSSA-N 2 2 394.519 3.548 20 5 GHBDLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584281 846501956 /nfs/dbraw/zinc/50/19/56/846501956.db2.gz BMTRUIMWFMKHML-FCHUYYIVSA-N 2 2 383.492 3.927 20 5 GHBDLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584281 846501960 /nfs/dbraw/zinc/50/19/60/846501960.db2.gz BMTRUIMWFMKHML-FCHUYYIVSA-N 2 2 383.492 3.927 20 5 GHBDLP COc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397867 854181420 /nfs/dbraw/zinc/18/14/20/854181420.db2.gz RJCMYHOPULFRBJ-QZTJIDSGSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397867 854181427 /nfs/dbraw/zinc/18/14/27/854181427.db2.gz RJCMYHOPULFRBJ-QZTJIDSGSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397867 854181433 /nfs/dbraw/zinc/18/14/33/854181433.db2.gz RJCMYHOPULFRBJ-QZTJIDSGSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397867 854181439 /nfs/dbraw/zinc/18/14/39/854181439.db2.gz RJCMYHOPULFRBJ-QZTJIDSGSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC001170324107 881360772 /nfs/dbraw/zinc/36/07/72/881360772.db2.gz ODZJKAKHTQOCDF-HNNXBMFYSA-N 2 2 387.455 3.624 20 5 GHBDLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160867 859855046 /nfs/dbraw/zinc/85/50/46/859855046.db2.gz MQFIUKCNSKKSNX-HJNYFJLDSA-N 2 2 383.492 3.519 20 5 GHBDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160867 859855058 /nfs/dbraw/zinc/85/50/58/859855058.db2.gz MQFIUKCNSKKSNX-HJNYFJLDSA-N 2 2 383.492 3.519 20 5 GHBDLP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000152639329 882049161 /nfs/dbraw/zinc/04/91/61/882049161.db2.gz SMBDAOZVLYQSBA-QGZVFWFLSA-N 2 2 399.491 3.677 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000129783401 867625001 /nfs/dbraw/zinc/62/50/01/867625001.db2.gz UKIMFWOWVYHALC-XLIONFOSSA-N 2 2 380.492 3.960 20 5 GHBDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447539651 871806963 /nfs/dbraw/zinc/80/69/63/871806963.db2.gz HMQUCJQMJOFELY-UHOSZYNNSA-N 2 2 385.512 3.994 20 5 GHBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000449191508 874566533 /nfs/dbraw/zinc/56/65/33/874566533.db2.gz KFGUVOCOPIXUBP-INIZCTEOSA-N 2 2 383.496 3.563 20 5 GHBDLP C[NH+](C)Cc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cc1 ZINC000747862162 891821440 /nfs/dbraw/zinc/82/14/40/891821440.db2.gz UJSXGXRRSYJLMK-UHFFFAOYSA-N 2 2 390.403 3.559 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000563459448 893756009 /nfs/dbraw/zinc/75/60/09/893756009.db2.gz YNCHNYJHVYBDSU-OAQYLSRUSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000563459448 893756018 /nfs/dbraw/zinc/75/60/18/893756018.db2.gz YNCHNYJHVYBDSU-OAQYLSRUSA-N 2 2 383.492 3.994 20 5 GHBDLP CCOc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1[N+](=O)[O-] ZINC000537456279 895025208 /nfs/dbraw/zinc/02/52/08/895025208.db2.gz QNEOTXOIHHJORM-YJBOKZPZSA-N 2 2 399.495 3.702 20 5 GHBDLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCc4c3cccc4[N+](=O)[O-])[nH+]c2)CC1 ZINC000577388839 902731531 /nfs/dbraw/zinc/73/15/31/902731531.db2.gz PMTHEFRIZOOHAA-IBGZPJMESA-N 2 2 381.480 3.620 20 5 GHBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1C(F)(F)F ZINC000600778240 902902862 /nfs/dbraw/zinc/90/28/62/902902862.db2.gz XDWSJJGIODKIIG-CZUORRHYSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1C(F)(F)F ZINC000600778240 902902873 /nfs/dbraw/zinc/90/28/73/902902873.db2.gz XDWSJJGIODKIIG-CZUORRHYSA-N 2 2 383.370 3.814 20 5 GHBDLP COc1cc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903103555 922775971 /nfs/dbraw/zinc/77/59/71/922775971.db2.gz JVGCXIFIWLOWFD-MGPUTAFESA-N 2 2 380.448 3.972 20 5 GHBDLP COc1ccc(C[C@H](C)[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001247006401 1037828938 /nfs/dbraw/zinc/82/89/38/1037828938.db2.gz CGMSLXONUHMBJL-INIZCTEOSA-N 2 2 381.476 3.629 20 5 GHBDLP COc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001247006401 1037828963 /nfs/dbraw/zinc/82/89/63/1037828963.db2.gz CGMSLXONUHMBJL-INIZCTEOSA-N 2 2 381.476 3.629 20 5 GHBDLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254534875 1040305657 /nfs/dbraw/zinc/30/56/57/1040305657.db2.gz CVHINDBNBNASAO-KRWDZBQOSA-N 2 2 383.492 3.789 20 5 GHBDLP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000430238874 835337647 /nfs/dbraw/zinc/33/76/47/835337647.db2.gz LDQPQYSOVXDVRO-UHFFFAOYSA-N 2 2 384.480 3.737 20 5 GHBDLP CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000430238874 835337654 /nfs/dbraw/zinc/33/76/54/835337654.db2.gz LDQPQYSOVXDVRO-UHFFFAOYSA-N 2 2 384.480 3.737 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423380352 849893088 /nfs/dbraw/zinc/89/30/88/849893088.db2.gz YLMXHJKXCWNJMT-VVFCZOMOSA-N 2 2 375.419 3.539 20 5 GHBDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000173327064 856858523 /nfs/dbraw/zinc/85/85/23/856858523.db2.gz XVQNMZOCVHGQOK-GOSISDBHSA-N 2 2 382.508 3.583 20 5 GHBDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001200971778 875420452 /nfs/dbraw/zinc/42/04/52/875420452.db2.gz PZTMDCQGPGWYCL-UHFFFAOYSA-N 2 2 387.480 3.834 20 5 GHBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000866310865 888823929 /nfs/dbraw/zinc/82/39/29/888823929.db2.gz XBGTYOFIEGVNEY-HOTGVXAUSA-N 2 2 386.471 3.875 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570847845 899638373 /nfs/dbraw/zinc/63/83/73/899638373.db2.gz BVDCGWOIHMXBFV-IERDGZPVSA-N 2 2 393.491 3.514 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570847845 899638376 /nfs/dbraw/zinc/63/83/76/899638376.db2.gz BVDCGWOIHMXBFV-IERDGZPVSA-N 2 2 393.491 3.514 20 5 GHBDLP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753509 901276431 /nfs/dbraw/zinc/27/64/31/901276431.db2.gz VNWLLBIGLNBXLX-QGZVFWFLSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753509 901276445 /nfs/dbraw/zinc/27/64/45/901276445.db2.gz VNWLLBIGLNBXLX-QGZVFWFLSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753509 901276455 /nfs/dbraw/zinc/27/64/55/901276455.db2.gz VNWLLBIGLNBXLX-QGZVFWFLSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753509 901276465 /nfs/dbraw/zinc/27/64/65/901276465.db2.gz VNWLLBIGLNBXLX-QGZVFWFLSA-N 2 2 389.521 3.927 20 5 GHBDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225349 906306851 /nfs/dbraw/zinc/30/68/51/906306851.db2.gz JJCWZJXUPXFFDW-IRXDYDNUSA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225349 906306869 /nfs/dbraw/zinc/30/68/69/906306869.db2.gz JJCWZJXUPXFFDW-IRXDYDNUSA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225349 906306886 /nfs/dbraw/zinc/30/68/86/906306886.db2.gz JJCWZJXUPXFFDW-IRXDYDNUSA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225349 906306895 /nfs/dbraw/zinc/30/68/95/906306895.db2.gz JJCWZJXUPXFFDW-IRXDYDNUSA-N 2 2 385.512 3.639 20 5 GHBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001173233290 906319190 /nfs/dbraw/zinc/31/91/90/906319190.db2.gz HYVRMEQCYJCDSG-SJKOYZFVSA-N 2 2 378.270 3.578 20 5 GHBDLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173213884 906330363 /nfs/dbraw/zinc/33/03/63/906330363.db2.gz LPBIMMINCCZIBC-QGZVFWFLSA-N 2 2 383.492 3.789 20 5 GHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC001177804774 908764538 /nfs/dbraw/zinc/76/45/38/908764538.db2.gz RKYSUQRLKCZSHC-GOSISDBHSA-N 2 2 385.464 3.588 20 5 GHBDLP Nc1cc(CC(=O)Nc2cc3oc4cc(=[NH2+])ccc-4nc3c3ccccc23)cc[nH+]1 ZINC001181264674 910664627 /nfs/dbraw/zinc/66/46/27/910664627.db2.gz MEQYCEHVGRFNRX-UHFFFAOYSA-N 2 2 395.422 3.724 20 5 GHBDLP C[NH+](C)C1(CNc2ccc3ccc4ccc(Cl)nc4c3n2)CC[NH+](C)CC1 ZINC001156182474 1032914421 /nfs/dbraw/zinc/91/44/21/1032914421.db2.gz VGOJSFUSJJNKRB-UHFFFAOYSA-N 2 2 383.927 3.874 20 5 GHBDLP c1cncc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)c1 ZINC001232219788 1035168302 /nfs/dbraw/zinc/16/83/02/1035168302.db2.gz FAWCSBCARMLVKF-SZPZYZBQSA-N 2 2 395.510 3.742 20 5 GHBDLP c1cncc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)c1 ZINC001232219788 1035168307 /nfs/dbraw/zinc/16/83/07/1035168307.db2.gz FAWCSBCARMLVKF-SZPZYZBQSA-N 2 2 395.510 3.742 20 5 GHBDLP c1cncc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)c1 ZINC001232219788 1035168311 /nfs/dbraw/zinc/16/83/11/1035168311.db2.gz FAWCSBCARMLVKF-SZPZYZBQSA-N 2 2 395.510 3.742 20 5 GHBDLP c1cncc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)c1 ZINC001232219788 1035168317 /nfs/dbraw/zinc/16/83/17/1035168317.db2.gz FAWCSBCARMLVKF-SZPZYZBQSA-N 2 2 395.510 3.742 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH2+]C2(c3ccccc3F)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246427074 1037385178 /nfs/dbraw/zinc/38/51/78/1037385178.db2.gz BLSCEFVBJCKWBY-OAHLLOKOSA-N 2 2 387.455 3.542 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1)C2 ZINC001246956386 1037768536 /nfs/dbraw/zinc/76/85/36/1037768536.db2.gz SFXLIHLUPUEFNU-FQEVSTJZSA-N 2 2 387.430 3.594 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1)C2 ZINC001246956386 1037768557 /nfs/dbraw/zinc/76/85/57/1037768557.db2.gz SFXLIHLUPUEFNU-FQEVSTJZSA-N 2 2 387.430 3.594 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC001254603032 1040375077 /nfs/dbraw/zinc/37/50/77/1040375077.db2.gz KQURDWXFQSKJOV-QHCPKHFHSA-N 2 2 377.488 3.585 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001254603032 1040375093 /nfs/dbraw/zinc/37/50/93/1040375093.db2.gz KQURDWXFQSKJOV-QHCPKHFHSA-N 2 2 377.488 3.585 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001474233843 1074302474 /nfs/dbraw/zinc/30/24/74/1074302474.db2.gz GHMHUYAFDJPVEE-YLJYHZDGSA-N 2 2 383.492 3.851 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001474233843 1074302479 /nfs/dbraw/zinc/30/24/79/1074302479.db2.gz GHMHUYAFDJPVEE-YLJYHZDGSA-N 2 2 383.492 3.851 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020214 839952447 /nfs/dbraw/zinc/95/24/47/839952447.db2.gz NUOYCWHAKXPYJW-SUMWQHHRSA-N 2 2 391.493 3.543 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020214 839952452 /nfs/dbraw/zinc/95/24/52/839952452.db2.gz NUOYCWHAKXPYJW-SUMWQHHRSA-N 2 2 391.493 3.543 20 5 GHBDLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000162035451 861387648 /nfs/dbraw/zinc/38/76/48/861387648.db2.gz JLEOFXQXULVZSZ-NRFANRHFSA-N 2 2 399.491 3.547 20 5 GHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512475901 843952248 /nfs/dbraw/zinc/95/22/48/843952248.db2.gz WIPMMGUKEGSQKU-FPOVZHCZSA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512475901 843952255 /nfs/dbraw/zinc/95/22/55/843952255.db2.gz WIPMMGUKEGSQKU-FPOVZHCZSA-N 2 2 394.519 3.548 20 5 GHBDLP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094314 853739169 /nfs/dbraw/zinc/73/91/69/853739169.db2.gz NEGKBJPWHTXUIZ-KRWDZBQOSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094314 853739176 /nfs/dbraw/zinc/73/91/76/853739176.db2.gz NEGKBJPWHTXUIZ-KRWDZBQOSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094314 853739184 /nfs/dbraw/zinc/73/91/84/853739184.db2.gz NEGKBJPWHTXUIZ-KRWDZBQOSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094314 853739190 /nfs/dbraw/zinc/73/91/90/853739190.db2.gz NEGKBJPWHTXUIZ-KRWDZBQOSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000441491400 855370260 /nfs/dbraw/zinc/37/02/60/855370260.db2.gz MZTBSUAFPRGMHQ-GOSISDBHSA-N 2 2 391.512 3.570 20 5 GHBDLP COc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000441491400 855370268 /nfs/dbraw/zinc/37/02/68/855370268.db2.gz MZTBSUAFPRGMHQ-GOSISDBHSA-N 2 2 391.512 3.570 20 5 GHBDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000093394955 860263299 /nfs/dbraw/zinc/26/32/99/860263299.db2.gz VDEMFASMZGRXHT-UHFFFAOYSA-N 2 2 389.521 3.602 20 5 GHBDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000093394955 860263307 /nfs/dbraw/zinc/26/33/07/860263307.db2.gz VDEMFASMZGRXHT-UHFFFAOYSA-N 2 2 389.521 3.602 20 5 GHBDLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892927 881779983 /nfs/dbraw/zinc/77/99/83/881779983.db2.gz WEOOCUNDLKENDX-UHFFFAOYSA-N 2 2 393.285 3.701 20 5 GHBDLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892927 881779997 /nfs/dbraw/zinc/77/99/97/881779997.db2.gz WEOOCUNDLKENDX-UHFFFAOYSA-N 2 2 393.285 3.701 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481188153 865966344 /nfs/dbraw/zinc/96/63/44/865966344.db2.gz HNWSJKXHRCOLBQ-HNAYVOBHSA-N 2 2 387.455 3.743 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481188153 865966349 /nfs/dbraw/zinc/96/63/49/865966349.db2.gz HNWSJKXHRCOLBQ-HNAYVOBHSA-N 2 2 387.455 3.743 20 5 GHBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001168967719 871061815 /nfs/dbraw/zinc/06/18/15/871061815.db2.gz SPVJUEPJAJSRQO-QAPCUYQASA-N 2 2 385.430 3.705 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615796102 878118543 /nfs/dbraw/zinc/11/85/43/878118543.db2.gz QCTNHYFDLBHQSB-BRLLKYFNSA-N 2 2 394.475 3.982 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615796102 878118545 /nfs/dbraw/zinc/11/85/45/878118545.db2.gz QCTNHYFDLBHQSB-BRLLKYFNSA-N 2 2 394.475 3.982 20 5 GHBDLP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000493305049 879356396 /nfs/dbraw/zinc/35/63/96/879356396.db2.gz YGTUPYWBHBOMFY-UHFFFAOYSA-N 2 2 391.431 3.629 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1Oc1ccc(F)cc1 ZINC000903958423 923437847 /nfs/dbraw/zinc/43/78/47/923437847.db2.gz ZWIHEIKQTMSQAJ-AWEZNQCLSA-N 2 2 395.381 3.861 20 5 GHBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1C(F)(F)F ZINC000600776313 1020248312 /nfs/dbraw/zinc/24/83/12/1020248312.db2.gz QZLXMSFJUDEJKN-SWLSCSKDSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1C(F)(F)F ZINC000600776313 1020248316 /nfs/dbraw/zinc/24/83/16/1020248316.db2.gz QZLXMSFJUDEJKN-SWLSCSKDSA-N 2 2 383.370 3.814 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246924525 1037731261 /nfs/dbraw/zinc/73/12/61/1037731261.db2.gz MYHOAQPNDIHYJJ-XLIONFOSSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246924525 1037731283 /nfs/dbraw/zinc/73/12/83/1037731283.db2.gz MYHOAQPNDIHYJJ-XLIONFOSSA-N 2 2 383.492 3.789 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001339997061 1059605303 /nfs/dbraw/zinc/60/53/03/1059605303.db2.gz AXVDARALWSTSPN-ZDUSSCGKSA-N 2 2 393.285 3.546 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001339997061 1059605312 /nfs/dbraw/zinc/60/53/12/1059605312.db2.gz AXVDARALWSTSPN-ZDUSSCGKSA-N 2 2 393.285 3.546 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180577444 837359663 /nfs/dbraw/zinc/35/96/63/837359663.db2.gz OKGATEAJHWSIEA-FDDCHVKYSA-N 2 2 395.503 3.775 20 5 GHBDLP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415100862 839206677 /nfs/dbraw/zinc/20/66/77/839206677.db2.gz AQKXHMNVOKAHAO-QFBILLFUSA-N 2 2 399.491 3.599 20 5 GHBDLP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415100862 839206691 /nfs/dbraw/zinc/20/66/91/839206691.db2.gz AQKXHMNVOKAHAO-QFBILLFUSA-N 2 2 399.491 3.599 20 5 GHBDLP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611142 844606729 /nfs/dbraw/zinc/60/67/29/844606729.db2.gz WNPQTEALCPAPBS-UXHICEINSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611142 844606737 /nfs/dbraw/zinc/60/67/37/844606737.db2.gz WNPQTEALCPAPBS-UXHICEINSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611142 844606741 /nfs/dbraw/zinc/60/67/41/844606741.db2.gz WNPQTEALCPAPBS-UXHICEINSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611142 844606748 /nfs/dbraw/zinc/60/67/48/844606748.db2.gz WNPQTEALCPAPBS-UXHICEINSA-N 2 2 381.476 3.557 20 5 GHBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016679 845731933 /nfs/dbraw/zinc/73/19/33/845731933.db2.gz IZBYQJOVFZIZFS-WZRJSFQZSA-N 2 2 397.523 3.747 20 5 GHBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016679 845731941 /nfs/dbraw/zinc/73/19/41/845731941.db2.gz IZBYQJOVFZIZFS-WZRJSFQZSA-N 2 2 397.523 3.747 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016679 845731944 /nfs/dbraw/zinc/73/19/44/845731944.db2.gz IZBYQJOVFZIZFS-WZRJSFQZSA-N 2 2 397.523 3.747 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016679 845731957 /nfs/dbraw/zinc/73/19/57/845731957.db2.gz IZBYQJOVFZIZFS-WZRJSFQZSA-N 2 2 397.523 3.747 20 5 GHBDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425396328 850691886 /nfs/dbraw/zinc/69/18/86/850691886.db2.gz PMXLKVWPTXZLIG-UHFFFAOYSA-N 2 2 393.285 3.546 20 5 GHBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000414877847 851178231 /nfs/dbraw/zinc/17/82/31/851178231.db2.gz NJKHMDJCZZROFA-UHFFFAOYSA-N 2 2 380.242 3.588 20 5 GHBDLP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517539033 852068160 /nfs/dbraw/zinc/06/81/60/852068160.db2.gz YHCKHXMITNVCBW-MRXNPFEDSA-N 2 2 396.447 3.557 20 5 GHBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)nc2c1 ZINC000518535129 853489262 /nfs/dbraw/zinc/48/92/62/853489262.db2.gz YDLGZNIWRSCXNL-QGZVFWFLSA-N 2 2 391.475 3.758 20 5 GHBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)nc2c1 ZINC000518535129 853489270 /nfs/dbraw/zinc/48/92/70/853489270.db2.gz YDLGZNIWRSCXNL-QGZVFWFLSA-N 2 2 391.475 3.758 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000163689163 862522341 /nfs/dbraw/zinc/52/23/41/862522341.db2.gz HYIMJZBYZGOWNI-JOCHJYFZSA-N 2 2 395.503 3.538 20 5 GHBDLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000480045533 863919743 /nfs/dbraw/zinc/91/97/43/863919743.db2.gz PBFYMHPLKKDZBD-UHFFFAOYSA-N 2 2 399.495 3.555 20 5 GHBDLP C[NH+]1CCC(CNc2nc3ccc([N+](=O)[O-])cc3s2)([NH+]2CCCCC2)CC1 ZINC000742419405 867286122 /nfs/dbraw/zinc/28/61/22/867286122.db2.gz GBWBLHUQAYYKCN-UHFFFAOYSA-N 2 2 389.525 3.567 20 5 GHBDLP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000152636610 904288103 /nfs/dbraw/zinc/28/81/03/904288103.db2.gz AFWSANZZAOCXCN-QGZVFWFLSA-N 2 2 399.491 3.677 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)CC2 ZINC001172912065 906020552 /nfs/dbraw/zinc/02/05/52/906020552.db2.gz IEUBUZYRQUSFHI-QGZVFWFLSA-N 2 2 384.455 3.635 20 5 GHBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001219210984 1031306905 /nfs/dbraw/zinc/30/69/05/1031306905.db2.gz QRTXUMRQAYHEAI-SFHVURJKSA-N 2 2 394.519 3.843 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001247006405 1037828842 /nfs/dbraw/zinc/82/88/42/1037828842.db2.gz CGMSLXONUHMBJL-MRXNPFEDSA-N 2 2 381.476 3.629 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001247006405 1037828864 /nfs/dbraw/zinc/82/88/64/1037828864.db2.gz CGMSLXONUHMBJL-MRXNPFEDSA-N 2 2 381.476 3.629 20 5 GHBDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609519 1040381518 /nfs/dbraw/zinc/38/15/18/1040381518.db2.gz WQNUQYDQEHPPEQ-QFIPXVFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609519 1040381533 /nfs/dbraw/zinc/38/15/33/1040381533.db2.gz WQNUQYDQEHPPEQ-QFIPXVFZSA-N 2 2 383.467 3.798 20 5 GHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440646 850529387 /nfs/dbraw/zinc/52/93/87/850529387.db2.gz YMZMEXSEWXQKPI-YWPBOTNQSA-N 2 2 384.505 3.709 20 5 GHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440646 850529391 /nfs/dbraw/zinc/52/93/91/850529391.db2.gz YMZMEXSEWXQKPI-YWPBOTNQSA-N 2 2 384.505 3.709 20 5 GHBDLP C[NH+](C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)cc1 ZINC000904624703 860524343 /nfs/dbraw/zinc/52/43/43/860524343.db2.gz WHXRKASPNSXHFB-UHFFFAOYSA-N 2 2 390.403 3.559 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709261 871269729 /nfs/dbraw/zinc/26/97/29/871269729.db2.gz JJGKKBGERMNCHE-LPHOPBHVSA-N 2 2 399.491 3.755 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709261 871269747 /nfs/dbraw/zinc/26/97/47/871269747.db2.gz JJGKKBGERMNCHE-LPHOPBHVSA-N 2 2 399.491 3.755 20 5 GHBDLP C[C@@]12C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001196960976 873498938 /nfs/dbraw/zinc/49/89/38/873498938.db2.gz GUJVIRUQIJBLSH-GOTSBHOMSA-N 2 2 395.503 3.818 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000449191509 874566109 /nfs/dbraw/zinc/56/61/09/874566109.db2.gz KFGUVOCOPIXUBP-MRXNPFEDSA-N 2 2 383.496 3.563 20 5 GHBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183501525 912597546 /nfs/dbraw/zinc/59/75/46/912597546.db2.gz XMORCWMBKOSDLW-JXFKEZNVSA-N 2 2 393.447 3.540 20 5 GHBDLP Cc1c(NC(=O)CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000533846728 893229842 /nfs/dbraw/zinc/22/98/42/893229842.db2.gz VEYRVEBAJJLAND-UHFFFAOYSA-N 2 2 398.507 3.732 20 5 GHBDLP Cc1c(NC(=O)CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000533846728 893229854 /nfs/dbraw/zinc/22/98/54/893229854.db2.gz VEYRVEBAJJLAND-UHFFFAOYSA-N 2 2 398.507 3.732 20 5 GHBDLP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000570574763 899400839 /nfs/dbraw/zinc/40/08/39/899400839.db2.gz XEXKMGWVZUBFAN-UHFFFAOYSA-N 2 2 393.871 3.709 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000468653785 1015875924 /nfs/dbraw/zinc/87/59/24/1015875924.db2.gz YFRREDVUWYVQJK-LDADJPATSA-N 2 2 381.476 3.620 20 5 GHBDLP Cc1[nH]c(C2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH+]c1C ZINC001473801788 1074149529 /nfs/dbraw/zinc/14/95/29/1074149529.db2.gz HZLICURHJQTIBC-CQSZACIVSA-N 2 2 396.451 3.925 20 5 GHBDLP Cc1ccc([C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000515234453 850820418 /nfs/dbraw/zinc/82/04/18/850820418.db2.gz KMHHWUDXXGSPSY-NRFANRHFSA-N 2 2 396.491 3.659 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000595016905 858352199 /nfs/dbraw/zinc/35/21/99/858352199.db2.gz AVAJUYBAKITJEH-DNVCBOLYSA-N 2 2 380.448 3.972 20 5 GHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000543630775 859118458 /nfs/dbraw/zinc/11/84/58/859118458.db2.gz BEMXLNFMRRXKAH-UHFFFAOYSA-N 3 2 388.556 3.531 20 5 GHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000543630775 859118461 /nfs/dbraw/zinc/11/84/61/859118461.db2.gz BEMXLNFMRRXKAH-UHFFFAOYSA-N 3 2 388.556 3.531 20 5 GHBDLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c([N+](=O)[O-])c1 ZINC000611268159 859673884 /nfs/dbraw/zinc/67/38/84/859673884.db2.gz XGFAKYWGYDSLMF-HNNXBMFYSA-N 2 2 382.420 3.897 20 5 GHBDLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c([N+](=O)[O-])c1 ZINC000611268159 859673885 /nfs/dbraw/zinc/67/38/85/859673885.db2.gz XGFAKYWGYDSLMF-HNNXBMFYSA-N 2 2 382.420 3.897 20 5 GHBDLP COc1ccc(C[C@H](C)[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170343401 881450946 /nfs/dbraw/zinc/45/09/46/881450946.db2.gz YZVWHISOXPESNA-KRWDZBQOSA-N 2 2 387.524 3.875 20 5 GHBDLP COc1ccc(C[C@H](C)[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170343401 881450956 /nfs/dbraw/zinc/45/09/56/881450956.db2.gz YZVWHISOXPESNA-KRWDZBQOSA-N 2 2 387.524 3.875 20 5 GHBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878287 881766073 /nfs/dbraw/zinc/76/60/73/881766073.db2.gz UKERFLCFQRIZFI-HNAYVOBHSA-N 2 2 384.436 3.503 20 5 GHBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878287 881766081 /nfs/dbraw/zinc/76/60/81/881766081.db2.gz UKERFLCFQRIZFI-HNAYVOBHSA-N 2 2 384.436 3.503 20 5 GHBDLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)ccc3[N+](=O)[O-])[nH+]c2)CC1 ZINC000769411095 874029688 /nfs/dbraw/zinc/02/96/88/874029688.db2.gz IPGVKCKMSNTWAA-UHFFFAOYSA-N 2 2 389.887 3.786 20 5 GHBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000105464714 875300275 /nfs/dbraw/zinc/30/02/75/875300275.db2.gz RSJCZJIUMDBXNF-AWEZNQCLSA-N 2 2 392.500 3.788 20 5 GHBDLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788609350 878166686 /nfs/dbraw/zinc/16/66/86/878166686.db2.gz HQSBGRCOPKVFSP-HNNXBMFYSA-N 2 2 383.496 3.563 20 5 GHBDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000873131650 891479769 /nfs/dbraw/zinc/47/97/69/891479769.db2.gz SNNBSGHQRMWPHS-UHFFFAOYSA-N 2 2 396.491 3.616 20 5 GHBDLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000574078374 900766758 /nfs/dbraw/zinc/76/67/58/900766758.db2.gz GIXSLLWMIZROFK-UHFFFAOYSA-N 2 2 399.495 3.509 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001173193943 906279517 /nfs/dbraw/zinc/27/95/17/906279517.db2.gz SDIYZRSURDDKEH-CABCVRRESA-N 2 2 389.427 3.530 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001173193943 906279525 /nfs/dbraw/zinc/27/95/25/906279525.db2.gz SDIYZRSURDDKEH-CABCVRRESA-N 2 2 389.427 3.530 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000246258588 910207281 /nfs/dbraw/zinc/20/72/81/910207281.db2.gz KOMATUCVFWACAS-AKIFATBCSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000246258588 910207299 /nfs/dbraw/zinc/20/72/99/910207299.db2.gz KOMATUCVFWACAS-AKIFATBCSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000246258588 910207315 /nfs/dbraw/zinc/20/73/15/910207315.db2.gz KOMATUCVFWACAS-AKIFATBCSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000246258588 910207331 /nfs/dbraw/zinc/20/73/31/910207331.db2.gz KOMATUCVFWACAS-AKIFATBCSA-N 2 2 395.503 3.615 20 5 GHBDLP C[C@]12C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001460634935 1069044681 /nfs/dbraw/zinc/04/46/81/1069044681.db2.gz DQEMKLSCORSCOW-DHIUTWEWSA-N 2 2 395.503 3.818 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001460851560 1069221505 /nfs/dbraw/zinc/22/15/05/1069221505.db2.gz UXJJYPCKOJRQQW-JOCHJYFZSA-N 2 2 395.503 3.715 20 5 GHBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H](C)O1 ZINC000558942206 834912368 /nfs/dbraw/zinc/91/23/68/834912368.db2.gz UYOHZKGDPAXTDP-IYBDPMFKSA-N 2 2 389.521 3.912 20 5 GHBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H](C)O1 ZINC000558942206 834912378 /nfs/dbraw/zinc/91/23/78/834912378.db2.gz UYOHZKGDPAXTDP-IYBDPMFKSA-N 2 2 389.521 3.912 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000595018568 858352276 /nfs/dbraw/zinc/35/22/76/858352276.db2.gz RYRGYEURHFFJPL-DLBZAZTESA-N 2 2 399.491 3.675 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000595018568 858352282 /nfs/dbraw/zinc/35/22/82/858352282.db2.gz RYRGYEURHFFJPL-DLBZAZTESA-N 2 2 399.491 3.675 20 5 GHBDLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000155175516 860426085 /nfs/dbraw/zinc/42/60/85/860426085.db2.gz ADHZVBJLEBELFV-QFIPXVFZSA-N 2 2 399.491 3.547 20 5 GHBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000449295136 874682498 /nfs/dbraw/zinc/68/24/98/874682498.db2.gz QASIJJKGOIHWSA-IGEOTXOUSA-N 2 2 385.430 3.921 20 5 GHBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000872049306 891132223 /nfs/dbraw/zinc/13/22/23/891132223.db2.gz SJCPJVZBJPXNCR-JVPBZIDWSA-N 2 2 393.553 3.735 20 5 GHBDLP CCOc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1[N+](=O)[O-] ZINC000537456277 895025705 /nfs/dbraw/zinc/02/57/05/895025705.db2.gz QNEOTXOIHHJORM-QAPCUYQASA-N 2 2 399.495 3.702 20 5 GHBDLP C[C@H]([NH2+]C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000819066075 896384468 /nfs/dbraw/zinc/38/44/68/896384468.db2.gz SUUPAYIFEAIDPE-UWJYYQICSA-N 2 2 383.492 3.881 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)CC2)cc1 ZINC000883386546 897550585 /nfs/dbraw/zinc/55/05/85/897550585.db2.gz IBRIUGVCEDFFLY-QFIPXVFZSA-N 2 2 391.475 3.791 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001172911903 906019892 /nfs/dbraw/zinc/01/98/92/906019892.db2.gz KVXCRCBEAXIDBR-HXUWFJFHSA-N 2 2 380.492 3.743 20 5 GHBDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225351 906307772 /nfs/dbraw/zinc/30/77/72/906307772.db2.gz JJCWZJXUPXFFDW-SJORKVTESA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225351 906307782 /nfs/dbraw/zinc/30/77/82/906307782.db2.gz JJCWZJXUPXFFDW-SJORKVTESA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225351 906307787 /nfs/dbraw/zinc/30/77/87/906307787.db2.gz JJCWZJXUPXFFDW-SJORKVTESA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225351 906307798 /nfs/dbraw/zinc/30/77/98/906307798.db2.gz JJCWZJXUPXFFDW-SJORKVTESA-N 2 2 385.512 3.639 20 5 GHBDLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000092072734 911389360 /nfs/dbraw/zinc/38/93/60/911389360.db2.gz MVAAEUBGUNTDFD-CQSZACIVSA-N 2 2 382.420 3.966 20 5 GHBDLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000092072734 911389380 /nfs/dbraw/zinc/38/93/80/911389380.db2.gz MVAAEUBGUNTDFD-CQSZACIVSA-N 2 2 382.420 3.966 20 5 GHBDLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000246264187 1021050301 /nfs/dbraw/zinc/05/03/01/1021050301.db2.gz LNDVKEYUFNOYAG-NQSCKRDGSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000246264187 1021050310 /nfs/dbraw/zinc/05/03/10/1021050310.db2.gz LNDVKEYUFNOYAG-NQSCKRDGSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+]1Cc1ccccc1 ZINC000246264187 1021050317 /nfs/dbraw/zinc/05/03/17/1021050317.db2.gz LNDVKEYUFNOYAG-NQSCKRDGSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+]1Cc1ccccc1 ZINC000246264187 1021050324 /nfs/dbraw/zinc/05/03/24/1021050324.db2.gz LNDVKEYUFNOYAG-NQSCKRDGSA-N 2 2 383.492 3.613 20 5 GHBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228705 1069451767 /nfs/dbraw/zinc/45/17/67/1069451767.db2.gz DWLLITWGRBJELT-ORAYPTAESA-N 2 2 391.493 3.543 20 5 GHBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228705 1069451770 /nfs/dbraw/zinc/45/17/70/1069451770.db2.gz DWLLITWGRBJELT-ORAYPTAESA-N 2 2 391.493 3.543 20 5 GHBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)C[C@@H]1C[NH2+]CC1(F)F ZINC001219210916 1031306131 /nfs/dbraw/zinc/30/61/31/1031306131.db2.gz OFZFSRUMSQMBQJ-MRXNPFEDSA-N 2 2 398.457 3.946 20 5 GHBDLP C[NH+](C)Cc1cccc(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])c1 ZINC001473928170 1074207212 /nfs/dbraw/zinc/20/72/12/1074207212.db2.gz GHHKBMNCSFKAHQ-UHFFFAOYSA-N 2 2 378.270 3.709 20 5 GHBDLP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1[N+](=O)[O-] ZINC001474239613 1074305645 /nfs/dbraw/zinc/30/56/45/1074305645.db2.gz CCVNWWGGHIBLBH-UHFFFAOYSA-N 2 2 393.390 3.576 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180577464 837359948 /nfs/dbraw/zinc/35/99/48/837359948.db2.gz OKGATEAJHWSIEA-JPYJTQIMSA-N 2 2 395.503 3.775 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000516688534 852889440 /nfs/dbraw/zinc/88/94/40/852889440.db2.gz HJAMGRVJEMAEFC-UYAOXDASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000516688534 852889445 /nfs/dbraw/zinc/88/94/45/852889445.db2.gz HJAMGRVJEMAEFC-UYAOXDASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000516688534 852889454 /nfs/dbraw/zinc/88/94/54/852889454.db2.gz HJAMGRVJEMAEFC-UYAOXDASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000516688534 852889460 /nfs/dbraw/zinc/88/94/60/852889460.db2.gz HJAMGRVJEMAEFC-UYAOXDASSA-N 2 2 381.476 3.557 20 5 GHBDLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171477 859862205 /nfs/dbraw/zinc/86/22/05/859862205.db2.gz NKWYHVPMKDKERV-VXKWHMMOSA-N 2 2 383.492 3.663 20 5 GHBDLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171477 859862213 /nfs/dbraw/zinc/86/22/13/859862213.db2.gz NKWYHVPMKDKERV-VXKWHMMOSA-N 2 2 383.492 3.663 20 5 GHBDLP COc1ccc(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000475575236 866383869 /nfs/dbraw/zinc/38/38/69/866383869.db2.gz ZHBOVKASEPVVHD-UHFFFAOYSA-N 2 2 385.464 3.970 20 5 GHBDLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1F ZINC000464504091 873992416 /nfs/dbraw/zinc/99/24/16/873992416.db2.gz ZQSFODDWUYIFGY-UHFFFAOYSA-N 2 2 376.432 3.631 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)c1F ZINC001173183247 906264860 /nfs/dbraw/zinc/26/48/60/906264860.db2.gz XCSZTQUIPQVCMU-LSDHHAIUSA-N 2 2 379.476 3.670 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)c1F ZINC001173183247 906264870 /nfs/dbraw/zinc/26/48/70/906264870.db2.gz XCSZTQUIPQVCMU-LSDHHAIUSA-N 2 2 379.476 3.670 20 5 GHBDLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173222269 906301805 /nfs/dbraw/zinc/30/18/05/906301805.db2.gz VUZJZXLEGNLHBC-QGZVFWFLSA-N 2 2 383.492 3.789 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)c2)c1 ZINC000782943956 931371037 /nfs/dbraw/zinc/37/10/37/931371037.db2.gz AVNYKKQLDCJQPN-UHFFFAOYSA-N 2 2 394.479 3.805 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001474233841 1074303106 /nfs/dbraw/zinc/30/31/06/1074303106.db2.gz GHMHUYAFDJPVEE-XLIONFOSSA-N 2 2 383.492 3.851 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001474233841 1074303112 /nfs/dbraw/zinc/30/31/12/1074303112.db2.gz GHMHUYAFDJPVEE-XLIONFOSSA-N 2 2 383.492 3.851 20 5 GHBDLP CCOc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768958 834612811 /nfs/dbraw/zinc/61/28/11/834612811.db2.gz YWXSQMCSYUXRSF-NHCUHLMSSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768958 834612817 /nfs/dbraw/zinc/61/28/17/834612817.db2.gz YWXSQMCSYUXRSF-NHCUHLMSSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768958 834612821 /nfs/dbraw/zinc/61/28/21/834612821.db2.gz YWXSQMCSYUXRSF-NHCUHLMSSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768958 834612826 /nfs/dbraw/zinc/61/28/26/834612826.db2.gz YWXSQMCSYUXRSF-NHCUHLMSSA-N 2 2 395.503 3.947 20 5 GHBDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000175717624 837118185 /nfs/dbraw/zinc/11/81/85/837118185.db2.gz JNJKQXMQOAGCLB-AWEZNQCLSA-N 2 2 394.431 3.806 20 5 GHBDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125558992 842156489 /nfs/dbraw/zinc/15/64/89/842156489.db2.gz BBJGGQQUJGPOQC-LJQANCHMSA-N 2 2 399.491 3.566 20 5 GHBDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125558992 842156493 /nfs/dbraw/zinc/15/64/93/842156493.db2.gz BBJGGQQUJGPOQC-LJQANCHMSA-N 2 2 399.491 3.566 20 5 GHBDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125553936 860704345 /nfs/dbraw/zinc/70/43/45/860704345.db2.gz BGRQHUPFSGMFKZ-IBGZPJMESA-N 2 2 399.491 3.566 20 5 GHBDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125553936 860704350 /nfs/dbraw/zinc/70/43/50/860704350.db2.gz BGRQHUPFSGMFKZ-IBGZPJMESA-N 2 2 399.491 3.566 20 5 GHBDLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788609353 878166486 /nfs/dbraw/zinc/16/64/86/878166486.db2.gz HQSBGRCOPKVFSP-OAHLLOKOSA-N 2 2 383.496 3.563 20 5 GHBDLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H](C)O1 ZINC000520209890 880220182 /nfs/dbraw/zinc/22/01/82/880220182.db2.gz NUZCZOHZESDJHS-HOTGVXAUSA-N 2 2 389.521 3.912 20 5 GHBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000866310866 888824197 /nfs/dbraw/zinc/82/41/97/888824197.db2.gz XBGTYOFIEGVNEY-HZPDHXFCSA-N 2 2 386.471 3.875 20 5 GHBDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000367452262 922113255 /nfs/dbraw/zinc/11/32/55/922113255.db2.gz SXVQGMUWEXJXOL-CYBMUJFWSA-N 2 2 381.392 3.848 20 5 GHBDLP Cc1nn(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc12 ZINC000799941293 933179266 /nfs/dbraw/zinc/17/92/66/933179266.db2.gz PWSRQKOISMGNRZ-MRXNPFEDSA-N 2 2 394.479 3.623 20 5 GHBDLP Cc1nn(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc12 ZINC000799941293 933179273 /nfs/dbraw/zinc/17/92/73/933179273.db2.gz PWSRQKOISMGNRZ-MRXNPFEDSA-N 2 2 394.479 3.623 20 5 GHBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000780331861 1023393460 /nfs/dbraw/zinc/39/34/60/1023393460.db2.gz XVYFLLXHMCIQTF-UHFFFAOYSA-N 2 2 381.904 3.573 20 5 GHBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000841074547 1028094169 /nfs/dbraw/zinc/09/41/69/1028094169.db2.gz YHNHEQPIOYWRKV-MAUKXSAKSA-N 2 2 377.847 3.870 20 5 GHBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219207267 1031305165 /nfs/dbraw/zinc/30/51/65/1031305165.db2.gz DEZXDTBXDGARSA-KKSFZXQISA-N 2 2 380.467 3.791 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)cc1 ZINC000542132690 837810281 /nfs/dbraw/zinc/81/02/81/837810281.db2.gz JFTQVANEXLHTJV-UHFFFAOYSA-N 2 2 396.451 3.534 20 5 GHBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427726 842463346 /nfs/dbraw/zinc/46/33/46/842463346.db2.gz DSRSDQPROVRZGH-XMSQKQJNSA-N 2 2 383.492 3.775 20 5 GHBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427726 842463348 /nfs/dbraw/zinc/46/33/48/842463348.db2.gz DSRSDQPROVRZGH-XMSQKQJNSA-N 2 2 383.492 3.775 20 5 GHBDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC[NH2+]1 ZINC000423414565 849915575 /nfs/dbraw/zinc/91/55/75/849915575.db2.gz CHZCGFJOKCILRB-KUHUBIRLSA-N 2 2 375.494 3.743 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592133596 856661899 /nfs/dbraw/zinc/66/18/99/856661899.db2.gz YMZODEHUQFZLIA-MXVIHJGJSA-N 2 2 375.513 3.576 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592133596 856661906 /nfs/dbraw/zinc/66/19/06/856661906.db2.gz YMZODEHUQFZLIA-MXVIHJGJSA-N 2 2 375.513 3.576 20 5 GHBDLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171478 859861751 /nfs/dbraw/zinc/86/17/51/859861751.db2.gz NKWYHVPMKDKERV-YADHBBJMSA-N 2 2 383.492 3.663 20 5 GHBDLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171478 859861758 /nfs/dbraw/zinc/86/17/58/859861758.db2.gz NKWYHVPMKDKERV-YADHBBJMSA-N 2 2 383.492 3.663 20 5 GHBDLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000481322296 861090968 /nfs/dbraw/zinc/09/09/68/861090968.db2.gz ZTCBBMFXARQVRP-FQEVSTJZSA-N 2 2 396.535 3.843 20 5 GHBDLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000449281292 874666748 /nfs/dbraw/zinc/66/67/48/874666748.db2.gz CYXFAWLSBGJEHR-INIZCTEOSA-N 2 2 393.491 3.656 20 5 GHBDLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000903126954 922794368 /nfs/dbraw/zinc/79/43/68/922794368.db2.gz GAMOMACEJAPVGI-JKSUJKDBSA-N 2 2 384.480 3.875 20 5 GHBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1C[NH2+]C[C@@H](F)C1 ZINC001219207239 1031305284 /nfs/dbraw/zinc/30/52/84/1031305284.db2.gz CHVWKQZTILUWCJ-IRXDYDNUSA-N 2 2 380.467 3.649 20 5 GHBDLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254469999 1040256968 /nfs/dbraw/zinc/25/69/68/1040256968.db2.gz DUXKZNZPDVCSBL-UAPYVXQJSA-N 2 2 395.507 3.735 20 5 GHBDLP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccccc1[N+](=O)[O-] ZINC001474256762 1074312242 /nfs/dbraw/zinc/31/22/42/1074312242.db2.gz VKQFZRVZPFMDMH-LBPRGKRZSA-N 2 2 393.390 3.829 20 5 GHBDLP Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302127533 861212521 /nfs/dbraw/zinc/21/25/21/861212521.db2.gz BEXAQOJSWOIRPA-IBGZPJMESA-N 2 2 398.488 3.998 20 5 GHBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000050954367 842863742 /nfs/dbraw/zinc/86/37/42/842863742.db2.gz VBEYKTASBSINNO-UHFFFAOYSA-N 2 2 386.418 3.584 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000562099973 847776674 /nfs/dbraw/zinc/77/66/74/847776674.db2.gz KKGQNQFCEBVNGQ-NRFANRHFSA-N 2 2 376.460 3.951 20 5 GHBDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513832215 850925838 /nfs/dbraw/zinc/92/58/38/850925838.db2.gz FQXCJKYNWVZADI-FXAWDEMLSA-N 2 2 389.540 3.785 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425417781 851014140 /nfs/dbraw/zinc/01/41/40/851014140.db2.gz IHDBSZAFVVTRDF-ZDUSSCGKSA-N 2 2 393.285 3.546 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425417781 851014145 /nfs/dbraw/zinc/01/41/45/851014145.db2.gz IHDBSZAFVVTRDF-ZDUSSCGKSA-N 2 2 393.285 3.546 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000151307179 851895843 /nfs/dbraw/zinc/89/58/43/851895843.db2.gz JIQCSCOOHDBUFB-OAQYLSRUSA-N 2 2 376.460 3.951 20 5 GHBDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689946 867068807 /nfs/dbraw/zinc/06/88/07/867068807.db2.gz PRXQRRRPXUGASZ-HZPDHXFCSA-N 2 2 393.491 3.717 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000129783633 867753850 /nfs/dbraw/zinc/75/38/50/867753850.db2.gz UKIMFWOWVYHALC-FXAWDEMLSA-N 2 2 380.492 3.960 20 5 GHBDLP C[C@@H]([NH2+]C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1)c1ccccc1 ZINC000877045407 893456000 /nfs/dbraw/zinc/45/60/00/893456000.db2.gz BUYGUBZTENBAKF-IPJUCJBFSA-N 2 2 383.496 3.748 20 5 GHBDLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402869 894939738 /nfs/dbraw/zinc/93/97/38/894939738.db2.gz ARZWGORQSKLDMK-PMACEKPBSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402869 894939746 /nfs/dbraw/zinc/93/97/46/894939746.db2.gz ARZWGORQSKLDMK-PMACEKPBSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402869 894939752 /nfs/dbraw/zinc/93/97/52/894939752.db2.gz ARZWGORQSKLDMK-PMACEKPBSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402869 894939755 /nfs/dbraw/zinc/93/97/55/894939755.db2.gz ARZWGORQSKLDMK-PMACEKPBSA-N 2 2 381.476 3.557 20 5 GHBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1C(F)(F)F ZINC000600778241 902903101 /nfs/dbraw/zinc/90/31/01/902903101.db2.gz XDWSJJGIODKIIG-XJKSGUPXSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1C(F)(F)F ZINC000600778241 902903119 /nfs/dbraw/zinc/90/31/19/902903119.db2.gz XDWSJJGIODKIIG-XJKSGUPXSA-N 2 2 383.370 3.814 20 5 GHBDLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173213882 906330948 /nfs/dbraw/zinc/33/09/48/906330948.db2.gz LPBIMMINCCZIBC-KRWDZBQOSA-N 2 2 383.492 3.789 20 5 GHBDLP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160692898 1035037689 /nfs/dbraw/zinc/03/76/89/1035037689.db2.gz HINATROZNPFLPV-XXBNENTESA-N 2 2 398.510 3.992 20 5 GHBDLP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160725933 1035045273 /nfs/dbraw/zinc/04/52/73/1035045273.db2.gz ISNOGUHYNWDHBZ-DEOSSOPVSA-N 2 2 398.510 3.923 20 5 GHBDLP CC(C)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC001200046179 1065066891 /nfs/dbraw/zinc/06/68/91/1065066891.db2.gz KNUVMTYOTCPRSK-UHFFFAOYSA-N 2 2 396.535 3.755 20 5 GHBDLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC001474082109 1074257672 /nfs/dbraw/zinc/25/76/72/1074257672.db2.gz KMTJGEKBRXRAIM-LJQANCHMSA-N 2 2 380.448 3.948 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182091116 842726980 /nfs/dbraw/zinc/72/69/80/842726980.db2.gz SMHQEGGOVOQCQJ-OAHLLOKOSA-N 2 2 397.504 3.907 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182091116 842726983 /nfs/dbraw/zinc/72/69/83/842726983.db2.gz SMHQEGGOVOQCQJ-OAHLLOKOSA-N 2 2 397.504 3.907 20 5 GHBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)[nH+]c2)C1 ZINC000433215731 843867894 /nfs/dbraw/zinc/86/78/94/843867894.db2.gz RAYNHXSLPDXMNK-PXNSSMCTSA-N 2 2 395.507 3.965 20 5 GHBDLP CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000490027433 852711508 /nfs/dbraw/zinc/71/15/08/852711508.db2.gz DNSXFULHWNNPKI-UHFFFAOYSA-N 2 2 384.480 3.737 20 5 GHBDLP CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000490027433 852711516 /nfs/dbraw/zinc/71/15/16/852711516.db2.gz DNSXFULHWNNPKI-UHFFFAOYSA-N 2 2 384.480 3.737 20 5 GHBDLP O=[N+]([O-])c1ccc2oc(=S)n(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000151820100 865198534 /nfs/dbraw/zinc/19/85/34/865198534.db2.gz NHRHQSUCXZPVQV-UHFFFAOYSA-N 2 2 376.482 3.637 20 5 GHBDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000101593403 872116913 /nfs/dbraw/zinc/11/69/13/872116913.db2.gz JZCNEBLGNIPYSG-GOSISDBHSA-N 2 2 399.491 3.614 20 5 GHBDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000101593403 872116918 /nfs/dbraw/zinc/11/69/18/872116918.db2.gz JZCNEBLGNIPYSG-GOSISDBHSA-N 2 2 399.491 3.614 20 5 GHBDLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000449281294 874667180 /nfs/dbraw/zinc/66/71/80/874667180.db2.gz CYXFAWLSBGJEHR-MRXNPFEDSA-N 2 2 393.491 3.656 20 5 GHBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123439025 890599763 /nfs/dbraw/zinc/59/97/63/890599763.db2.gz CJBQOEQIEQGMON-AWEZNQCLSA-N 2 2 396.919 3.629 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)c1F ZINC001173182484 906262630 /nfs/dbraw/zinc/26/26/30/906262630.db2.gz SYTOKKMMFAASPU-RDJZCZTQSA-N 2 2 393.503 3.918 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)c1F ZINC001173182484 906262646 /nfs/dbraw/zinc/26/26/46/906262646.db2.gz SYTOKKMMFAASPU-RDJZCZTQSA-N 2 2 393.503 3.918 20 5 GHBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001173233288 906317951 /nfs/dbraw/zinc/31/79/51/906317951.db2.gz HYVRMEQCYJCDSG-SJCJKPOMSA-N 2 2 378.270 3.578 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001181997204 911117235 /nfs/dbraw/zinc/11/72/35/911117235.db2.gz GJDOKJBWNSXGNS-HXUWFJFHSA-N 2 2 392.503 3.769 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001181997204 911117241 /nfs/dbraw/zinc/11/72/41/911117241.db2.gz GJDOKJBWNSXGNS-HXUWFJFHSA-N 2 2 392.503 3.769 20 5 GHBDLP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000543988878 928651604 /nfs/dbraw/zinc/65/16/04/928651604.db2.gz KWDZYNUIIZKDLI-KRWDZBQOSA-N 2 2 399.495 3.619 20 5 GHBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1C(F)(F)F ZINC000600776305 1020248059 /nfs/dbraw/zinc/24/80/59/1020248059.db2.gz QZLXMSFJUDEJKN-DOMZBBRYSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1C(F)(F)F ZINC000600776305 1020248067 /nfs/dbraw/zinc/24/80/67/1020248067.db2.gz QZLXMSFJUDEJKN-DOMZBBRYSA-N 2 2 383.370 3.814 20 5 GHBDLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415100858 839205821 /nfs/dbraw/zinc/20/58/21/839205821.db2.gz AQKXHMNVOKAHAO-APWZRJJASA-N 2 2 399.491 3.599 20 5 GHBDLP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415100858 839205830 /nfs/dbraw/zinc/20/58/30/839205830.db2.gz AQKXHMNVOKAHAO-APWZRJJASA-N 2 2 399.491 3.599 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020213 839952517 /nfs/dbraw/zinc/95/25/17/839952517.db2.gz NUOYCWHAKXPYJW-GUYCJALGSA-N 2 2 391.493 3.543 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020213 839952523 /nfs/dbraw/zinc/95/25/23/839952523.db2.gz NUOYCWHAKXPYJW-GUYCJALGSA-N 2 2 391.493 3.543 20 5 GHBDLP C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185700609 861210017 /nfs/dbraw/zinc/21/00/17/861210017.db2.gz FRHZGIPVTBBZHR-DOTOQJQBSA-N 2 2 384.480 3.992 20 5 GHBDLP C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700609 861210034 /nfs/dbraw/zinc/21/00/34/861210034.db2.gz FRHZGIPVTBBZHR-DOTOQJQBSA-N 2 2 384.480 3.992 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425417780 851013890 /nfs/dbraw/zinc/01/38/90/851013890.db2.gz IHDBSZAFVVTRDF-CYBMUJFWSA-N 2 2 393.285 3.546 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425417780 851013894 /nfs/dbraw/zinc/01/38/94/851013894.db2.gz IHDBSZAFVVTRDF-CYBMUJFWSA-N 2 2 393.285 3.546 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000516688532 852889228 /nfs/dbraw/zinc/88/92/28/852889228.db2.gz HJAMGRVJEMAEFC-ICSRJNTNSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000516688532 852889233 /nfs/dbraw/zinc/88/92/33/852889233.db2.gz HJAMGRVJEMAEFC-ICSRJNTNSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000516688532 852889239 /nfs/dbraw/zinc/88/92/39/852889239.db2.gz HJAMGRVJEMAEFC-ICSRJNTNSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000516688532 852889243 /nfs/dbraw/zinc/88/92/43/852889243.db2.gz HJAMGRVJEMAEFC-ICSRJNTNSA-N 2 2 381.476 3.557 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000163689077 862522423 /nfs/dbraw/zinc/52/24/23/862522423.db2.gz HYIMJZBYZGOWNI-QFIPXVFZSA-N 2 2 395.503 3.538 20 5 GHBDLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)Cc2ccccc2C1 ZINC000483720814 859559205 /nfs/dbraw/zinc/55/92/05/859559205.db2.gz HJWYEBUYSKPUDA-OAQYLSRUSA-N 2 2 379.504 3.605 20 5 GHBDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559748 881438674 /nfs/dbraw/zinc/43/86/74/881438674.db2.gz HWRBGOZJKNBCFR-GOSISDBHSA-N 2 2 390.509 3.545 20 5 GHBDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559748 881438684 /nfs/dbraw/zinc/43/86/84/881438684.db2.gz HWRBGOZJKNBCFR-GOSISDBHSA-N 2 2 390.509 3.545 20 5 GHBDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559748 881438693 /nfs/dbraw/zinc/43/86/93/881438693.db2.gz HWRBGOZJKNBCFR-GOSISDBHSA-N 2 2 390.509 3.545 20 5 GHBDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559748 881438702 /nfs/dbraw/zinc/43/87/02/881438702.db2.gz HWRBGOZJKNBCFR-GOSISDBHSA-N 2 2 390.509 3.545 20 5 GHBDLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146261 859832459 /nfs/dbraw/zinc/83/24/59/859832459.db2.gz NLRHGMJZDJBDKM-AKIFATBCSA-N 2 2 397.519 3.909 20 5 GHBDLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146261 859832469 /nfs/dbraw/zinc/83/24/69/859832469.db2.gz NLRHGMJZDJBDKM-AKIFATBCSA-N 2 2 397.519 3.909 20 5 GHBDLP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146266 859832578 /nfs/dbraw/zinc/83/25/78/859832578.db2.gz NLRHGMJZDJBDKM-PUHATCMVSA-N 2 2 397.519 3.909 20 5 GHBDLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146266 859832590 /nfs/dbraw/zinc/83/25/90/859832590.db2.gz NLRHGMJZDJBDKM-PUHATCMVSA-N 2 2 397.519 3.909 20 5 GHBDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000776592467 878304134 /nfs/dbraw/zinc/30/41/34/878304134.db2.gz OTUMDSKKGMMHOH-WTNAPCKOSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000776592467 878304144 /nfs/dbraw/zinc/30/41/44/878304144.db2.gz OTUMDSKKGMMHOH-WTNAPCKOSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1Cc1ccccc1 ZINC000776592467 878304160 /nfs/dbraw/zinc/30/41/60/878304160.db2.gz OTUMDSKKGMMHOH-WTNAPCKOSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1Cc1ccccc1 ZINC000776592467 878304177 /nfs/dbraw/zinc/30/41/77/878304177.db2.gz OTUMDSKKGMMHOH-WTNAPCKOSA-N 2 2 383.492 3.613 20 5 GHBDLP COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246924517 1037728503 /nfs/dbraw/zinc/72/85/03/1037728503.db2.gz MYHOAQPNDIHYJJ-FXAWDEMLSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246924517 1037728520 /nfs/dbraw/zinc/72/85/20/1037728520.db2.gz MYHOAQPNDIHYJJ-FXAWDEMLSA-N 2 2 383.492 3.789 20 5 GHBDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585237 1040360021 /nfs/dbraw/zinc/36/00/21/1040360021.db2.gz MDZLNJVKAZDLPV-HXUWFJFHSA-N 2 2 383.467 3.764 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420943482 847565295 /nfs/dbraw/zinc/56/52/95/847565295.db2.gz WWUIGLUIFMFBEN-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420943482 847565298 /nfs/dbraw/zinc/56/52/98/847565298.db2.gz WWUIGLUIFMFBEN-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513832216 850925753 /nfs/dbraw/zinc/92/57/53/850925753.db2.gz FQXCJKYNWVZADI-PXNSSMCTSA-N 2 2 389.540 3.785 20 5 GHBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793304 854826340 /nfs/dbraw/zinc/82/63/40/854826340.db2.gz YVDPVYPKTCQXAO-XHSDSOJGSA-N 2 2 387.505 3.837 20 5 GHBDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793304 854826344 /nfs/dbraw/zinc/82/63/44/854826344.db2.gz YVDPVYPKTCQXAO-XHSDSOJGSA-N 2 2 387.505 3.837 20 5 GHBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000282022191 873722696 /nfs/dbraw/zinc/72/26/96/873722696.db2.gz KIRORIFSQWRJSQ-CQSZACIVSA-N 2 2 381.436 3.648 20 5 GHBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000282022191 873722704 /nfs/dbraw/zinc/72/27/04/873722704.db2.gz KIRORIFSQWRJSQ-CQSZACIVSA-N 2 2 381.436 3.648 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850437761 876920367 /nfs/dbraw/zinc/92/03/67/876920367.db2.gz QARDYWYLOCDEIP-INIZCTEOSA-N 2 2 398.507 3.989 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc2)c1 ZINC000493987707 879820772 /nfs/dbraw/zinc/82/07/72/879820772.db2.gz AZKXJFROOGJTSS-YTFSRNRJSA-N 2 2 395.503 3.652 20 5 GHBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000872036373 891129255 /nfs/dbraw/zinc/12/92/55/891129255.db2.gz UQEGNJACQDZGAV-YOEHRIQHSA-N 2 2 379.526 3.611 20 5 GHBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570847844 899638263 /nfs/dbraw/zinc/63/82/63/899638263.db2.gz BVDCGWOIHMXBFV-HRAATJIYSA-N 2 2 393.491 3.514 20 5 GHBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570847844 899638266 /nfs/dbraw/zinc/63/82/66/899638266.db2.gz BVDCGWOIHMXBFV-HRAATJIYSA-N 2 2 393.491 3.514 20 5 GHBDLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[nH+]c1 ZINC001172913975 905983851 /nfs/dbraw/zinc/98/38/51/905983851.db2.gz WREGMQFIOYNENO-LJQANCHMSA-N 2 2 380.492 3.804 20 5 GHBDLP Cc1nn(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccc([N+](=O)[O-])cc12 ZINC000799943196 933182349 /nfs/dbraw/zinc/18/23/49/933182349.db2.gz QQQZOWBEJVAQAW-MRXNPFEDSA-N 2 2 394.479 3.623 20 5 GHBDLP Cc1nn(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccc([N+](=O)[O-])cc12 ZINC000799943196 933182351 /nfs/dbraw/zinc/18/23/51/933182351.db2.gz QQQZOWBEJVAQAW-MRXNPFEDSA-N 2 2 394.479 3.623 20 5 GHBDLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000246264198 1021049806 /nfs/dbraw/zinc/04/98/06/1021049806.db2.gz LNDVKEYUFNOYAG-PIPMEXSNSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000246264198 1021049812 /nfs/dbraw/zinc/04/98/12/1021049812.db2.gz LNDVKEYUFNOYAG-PIPMEXSNSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+]1Cc1ccccc1 ZINC000246264198 1021049821 /nfs/dbraw/zinc/04/98/21/1021049821.db2.gz LNDVKEYUFNOYAG-PIPMEXSNSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+]1Cc1ccccc1 ZINC000246264198 1021049830 /nfs/dbraw/zinc/04/98/30/1021049830.db2.gz LNDVKEYUFNOYAG-PIPMEXSNSA-N 2 2 383.492 3.613 20 5 GHBDLP C[NH+](C)C1(CNc2nc3c(ccc4ccccc43)nc2Cl)CC[NH+](C)CC1 ZINC001164212205 1026454358 /nfs/dbraw/zinc/45/43/58/1026454358.db2.gz ZTCXSCYCMKATOT-UHFFFAOYSA-N 2 2 383.927 3.874 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001461119406 1069400124 /nfs/dbraw/zinc/40/01/24/1069400124.db2.gz FUTGMNDIXMKRDN-IBGZPJMESA-N 2 2 383.492 3.995 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461119406 1069400128 /nfs/dbraw/zinc/40/01/28/1069400128.db2.gz FUTGMNDIXMKRDN-IBGZPJMESA-N 2 2 383.492 3.995 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]([NH3+])c1ccsc1 ZINC001219005465 1031207319 /nfs/dbraw/zinc/20/73/19/1031207319.db2.gz ORBWXPYEPFBTTO-IBGZPJMESA-N 2 2 392.484 3.657 20 5 GHBDLP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414906033 838956453 /nfs/dbraw/zinc/95/64/53/838956453.db2.gz LVAAAUGXLLFEED-QFIPXVFZSA-N 2 2 399.491 3.662 20 5 GHBDLP C[NH+](C/C=C/C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000052589543 844455197 /nfs/dbraw/zinc/45/51/97/844455197.db2.gz VZGSRSJNVZICAH-BQYQJAHWSA-N 2 2 384.436 3.623 20 5 GHBDLP C[NH+](C/C=C/C[N@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000052589543 844455204 /nfs/dbraw/zinc/45/52/04/844455204.db2.gz VZGSRSJNVZICAH-BQYQJAHWSA-N 2 2 384.436 3.623 20 5 GHBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)nc2c1 ZINC000278881877 843503318 /nfs/dbraw/zinc/50/33/18/843503318.db2.gz NEIHRZDEELGKEE-UHFFFAOYSA-N 2 2 381.436 3.648 20 5 GHBDLP O=[N+]([O-])c1cccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000500487694 843526019 /nfs/dbraw/zinc/52/60/19/843526019.db2.gz NJHBSGHLRNPJMJ-UHFFFAOYSA-N 2 2 388.899 3.550 20 5 GHBDLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000057847059 855763117 /nfs/dbraw/zinc/76/31/17/855763117.db2.gz GLWXHCBENBUUDF-CQSZACIVSA-N 2 2 396.919 3.629 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cs2)c1 ZINC000596058712 858760179 /nfs/dbraw/zinc/76/01/79/858760179.db2.gz IFDBPZIMHKJYOM-INIZCTEOSA-N 2 2 386.521 3.930 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cs2)c1 ZINC000596058712 858760188 /nfs/dbraw/zinc/76/01/88/858760188.db2.gz IFDBPZIMHKJYOM-INIZCTEOSA-N 2 2 386.521 3.930 20 5 GHBDLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170307065 881384148 /nfs/dbraw/zinc/38/41/48/881384148.db2.gz DLAKGGJGJDMFPW-JTSKRJEESA-N 2 2 383.492 3.961 20 5 GHBDLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559749 881438283 /nfs/dbraw/zinc/43/82/83/881438283.db2.gz HWRBGOZJKNBCFR-SFHVURJKSA-N 2 2 390.509 3.545 20 5 GHBDLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559749 881438293 /nfs/dbraw/zinc/43/82/93/881438293.db2.gz HWRBGOZJKNBCFR-SFHVURJKSA-N 2 2 390.509 3.545 20 5 GHBDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559749 881438297 /nfs/dbraw/zinc/43/82/97/881438297.db2.gz HWRBGOZJKNBCFR-SFHVURJKSA-N 2 2 390.509 3.545 20 5 GHBDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559749 881438307 /nfs/dbraw/zinc/43/83/07/881438307.db2.gz HWRBGOZJKNBCFR-SFHVURJKSA-N 2 2 390.509 3.545 20 5 GHBDLP Cc1c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000480479247 864703369 /nfs/dbraw/zinc/70/33/69/864703369.db2.gz HXNRSFIJIBURHL-UHFFFAOYSA-N 2 2 388.899 3.598 20 5 GHBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539687545 869599588 /nfs/dbraw/zinc/59/95/88/869599588.db2.gz GVUAFPZQDKZJKV-QGZVFWFLSA-N 2 2 397.523 3.953 20 5 GHBDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000101593404 872117021 /nfs/dbraw/zinc/11/70/21/872117021.db2.gz JZCNEBLGNIPYSG-SFHVURJKSA-N 2 2 399.491 3.614 20 5 GHBDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000101593404 872117025 /nfs/dbraw/zinc/11/70/25/872117025.db2.gz JZCNEBLGNIPYSG-SFHVURJKSA-N 2 2 399.491 3.614 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc2)c1 ZINC000493987705 879820148 /nfs/dbraw/zinc/82/01/48/879820148.db2.gz AZKXJFROOGJTSS-RJGXRXQPSA-N 2 2 395.503 3.652 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495438011 885807048 /nfs/dbraw/zinc/80/70/48/885807048.db2.gz FTWZBSFZSVSXLI-DNVCBOLYSA-N 2 2 388.899 3.686 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495438011 885807058 /nfs/dbraw/zinc/80/70/58/885807058.db2.gz FTWZBSFZSVSXLI-DNVCBOLYSA-N 2 2 388.899 3.686 20 5 GHBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000569892296 899008729 /nfs/dbraw/zinc/00/87/29/899008729.db2.gz KGNYRENZVHMGAH-INIZCTEOSA-N 2 2 377.448 3.733 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c[nH+]cc2-c2cccc(C[NH3+])c2)c1F ZINC001173178030 906255280 /nfs/dbraw/zinc/25/52/80/906255280.db2.gz GLYGWMODDXXYMB-CYBMUJFWSA-N 2 2 384.411 3.868 20 5 GHBDLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)nc1 ZINC001232221802 1035170333 /nfs/dbraw/zinc/17/03/33/1035170333.db2.gz CUAJVGKWSHSKKB-SFTDATJTSA-N 2 2 395.510 3.742 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC001246670830 1037536506 /nfs/dbraw/zinc/53/65/06/1037536506.db2.gz GCYWEIVGNUBAOT-ODOSVJCGSA-N 2 2 395.503 3.756 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC001246670830 1037536526 /nfs/dbraw/zinc/53/65/26/1037536526.db2.gz GCYWEIVGNUBAOT-ODOSVJCGSA-N 2 2 395.503 3.756 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246924529 1037730031 /nfs/dbraw/zinc/73/00/31/1037730031.db2.gz MYHOAQPNDIHYJJ-YLJYHZDGSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246924529 1037730049 /nfs/dbraw/zinc/73/00/49/1037730049.db2.gz MYHOAQPNDIHYJJ-YLJYHZDGSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c([N+](=O)[O-])c1 ZINC001246999954 1037823503 /nfs/dbraw/zinc/82/35/03/1037823503.db2.gz CSXZPGFXCZMVSL-QGZVFWFLSA-N 2 2 395.503 3.671 20 5 GHBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001254539912 1040310357 /nfs/dbraw/zinc/31/03/57/1040310357.db2.gz LVRDVYYJTUCMES-LRDDRELGSA-N 2 2 378.270 3.578 20 5 GHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512480140 843964103 /nfs/dbraw/zinc/96/41/03/843964103.db2.gz LJNONTFAQMWYIS-XXBNENTESA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512480140 843964108 /nfs/dbraw/zinc/96/41/08/843964108.db2.gz LJNONTFAQMWYIS-XXBNENTESA-N 2 2 394.519 3.548 20 5 GHBDLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000057847058 855763523 /nfs/dbraw/zinc/76/35/23/855763523.db2.gz GLWXHCBENBUUDF-AWEZNQCLSA-N 2 2 396.919 3.629 20 5 GHBDLP COc1cc(C[NH2+]CC2([NH3+])CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594739231 858269750 /nfs/dbraw/zinc/26/97/50/858269750.db2.gz OXEDDGNWBNEISI-UHFFFAOYSA-N 2 2 385.464 3.544 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000764814442 859627700 /nfs/dbraw/zinc/62/77/00/859627700.db2.gz OJRVYIPCKDGVAJ-UHFFFAOYSA-N 2 2 391.475 3.598 20 5 GHBDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nc4ccccn4c3[N+](=O)[O-])cc2)CC1 ZINC000737414455 866211308 /nfs/dbraw/zinc/21/13/08/866211308.db2.gz ZCIATKQVHKEXHF-UHFFFAOYSA-N 2 2 394.479 3.764 20 5 GHBDLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408747 868188988 /nfs/dbraw/zinc/18/89/88/868188988.db2.gz MCHFRCRHXXPGHD-IBGZPJMESA-N 2 2 393.491 3.746 20 5 GHBDLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408747 868189000 /nfs/dbraw/zinc/18/90/00/868189000.db2.gz MCHFRCRHXXPGHD-IBGZPJMESA-N 2 2 393.491 3.746 20 5 GHBDLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408747 868189009 /nfs/dbraw/zinc/18/90/09/868189009.db2.gz MCHFRCRHXXPGHD-IBGZPJMESA-N 2 2 393.491 3.746 20 5 GHBDLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408747 868189018 /nfs/dbraw/zinc/18/90/18/868189018.db2.gz MCHFRCRHXXPGHD-IBGZPJMESA-N 2 2 393.491 3.746 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463116207 870952046 /nfs/dbraw/zinc/95/20/46/870952046.db2.gz PBHASHQSXVHIPY-UHFFFAOYSA-N 2 2 387.455 3.539 20 5 GHBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000619722902 872922240 /nfs/dbraw/zinc/92/22/40/872922240.db2.gz WEHFNDGPMXDLNY-CQSZACIVSA-N 2 2 388.443 3.655 20 5 GHBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000619722902 872922244 /nfs/dbraw/zinc/92/22/44/872922244.db2.gz WEHFNDGPMXDLNY-CQSZACIVSA-N 2 2 388.443 3.655 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000449295137 874682663 /nfs/dbraw/zinc/68/26/63/874682663.db2.gz QASIJJKGOIHWSA-NVPAJSRCSA-N 2 2 385.430 3.921 20 5 GHBDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000449522321 874996707 /nfs/dbraw/zinc/99/67/07/874996707.db2.gz JCYLPFWCOHXUAH-UHFFFAOYSA-N 2 2 396.491 3.616 20 5 GHBDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000520209891 880220688 /nfs/dbraw/zinc/22/06/88/880220688.db2.gz NUZCZOHZESDJHS-HZPDHXFCSA-N 2 2 389.521 3.912 20 5 GHBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183501527 912597761 /nfs/dbraw/zinc/59/77/61/912597761.db2.gz XMORCWMBKOSDLW-OXQOHEQNSA-N 2 2 393.447 3.540 20 5 GHBDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000453327234 880799381 /nfs/dbraw/zinc/79/93/81/880799381.db2.gz OMDSJEWNSMQGTG-MRXNPFEDSA-N 2 2 396.491 3.868 20 5 GHBDLP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532538194 885936959 /nfs/dbraw/zinc/93/69/59/885936959.db2.gz LRLODJMQOOPPIG-CQSZACIVSA-N 2 2 396.919 3.627 20 5 GHBDLP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532538194 885936971 /nfs/dbraw/zinc/93/69/71/885936971.db2.gz LRLODJMQOOPPIG-CQSZACIVSA-N 2 2 396.919 3.627 20 5 GHBDLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000577386045 902729084 /nfs/dbraw/zinc/72/90/84/902729084.db2.gz PGGLZEZARSYIPA-INIZCTEOSA-N 2 2 384.480 3.642 20 5 GHBDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578758041 904102898 /nfs/dbraw/zinc/10/28/98/904102898.db2.gz RKCCUEZWQRSWJK-FQEVSTJZSA-N 2 2 393.491 3.861 20 5 GHBDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578758041 904102901 /nfs/dbraw/zinc/10/29/01/904102901.db2.gz RKCCUEZWQRSWJK-FQEVSTJZSA-N 2 2 393.491 3.861 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](Cc3ccc(O)cc3)CC1)CC2 ZINC001172904468 905927929 /nfs/dbraw/zinc/92/79/29/905927929.db2.gz NTEHJLSZWOQUQG-HXUWFJFHSA-N 2 2 395.503 3.802 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001177235614 908476266 /nfs/dbraw/zinc/47/62/66/908476266.db2.gz GFPVUGOGYBLKBS-LVZFUZTISA-N 2 2 394.519 3.800 20 5 GHBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1C[NH2+]C[C@H](F)C1 ZINC001219207237 1031305617 /nfs/dbraw/zinc/30/56/17/1031305617.db2.gz CHVWKQZTILUWCJ-DLBZAZTESA-N 2 2 380.467 3.649 20 5 GHBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714394 836032510 /nfs/dbraw/zinc/03/25/10/836032510.db2.gz RENXJGNRIOIHHJ-DJPFJPOOSA-N 2 2 385.512 3.794 20 5 GHBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714394 836032522 /nfs/dbraw/zinc/03/25/22/836032522.db2.gz RENXJGNRIOIHHJ-DJPFJPOOSA-N 2 2 385.512 3.794 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714394 836032531 /nfs/dbraw/zinc/03/25/31/836032531.db2.gz RENXJGNRIOIHHJ-DJPFJPOOSA-N 2 2 385.512 3.794 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714394 836032539 /nfs/dbraw/zinc/03/25/39/836032539.db2.gz RENXJGNRIOIHHJ-DJPFJPOOSA-N 2 2 385.512 3.794 20 5 GHBDLP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414906032 838956626 /nfs/dbraw/zinc/95/66/26/838956626.db2.gz LVAAAUGXLLFEED-JOCHJYFZSA-N 2 2 399.491 3.662 20 5 GHBDLP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427723 842463184 /nfs/dbraw/zinc/46/31/84/842463184.db2.gz DSRSDQPROVRZGH-AVRDEDQJSA-N 2 2 383.492 3.775 20 5 GHBDLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427723 842463187 /nfs/dbraw/zinc/46/31/87/842463187.db2.gz DSRSDQPROVRZGH-AVRDEDQJSA-N 2 2 383.492 3.775 20 5 GHBDLP CCC(=O)c1ccc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000480058247 848049139 /nfs/dbraw/zinc/04/91/39/848049139.db2.gz WEQILBCATRNOOL-UHFFFAOYSA-N 2 2 388.512 3.550 20 5 GHBDLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000479883688 868678792 /nfs/dbraw/zinc/67/87/92/868678792.db2.gz FVPUYQBJIPDOAA-HZPDHXFCSA-N 2 2 387.455 3.633 20 5 GHBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)[nH+]c2)C1 ZINC000540757153 872071397 /nfs/dbraw/zinc/07/13/97/872071397.db2.gz ZQPZIOPFHLPIPF-WOJBJXKFSA-N 2 2 395.507 3.563 20 5 GHBDLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000776592466 878303560 /nfs/dbraw/zinc/30/35/60/878303560.db2.gz OTUMDSKKGMMHOH-VOQZNFBZSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000776592466 878303577 /nfs/dbraw/zinc/30/35/77/878303577.db2.gz OTUMDSKKGMMHOH-VOQZNFBZSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1Cc1ccccc1 ZINC000776592466 878303594 /nfs/dbraw/zinc/30/35/94/878303594.db2.gz OTUMDSKKGMMHOH-VOQZNFBZSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1Cc1ccccc1 ZINC000776592466 878303607 /nfs/dbraw/zinc/30/36/07/878303607.db2.gz OTUMDSKKGMMHOH-VOQZNFBZSA-N 2 2 383.492 3.613 20 5 GHBDLP CCOc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1[N+](=O)[O-] ZINC000537456276 895024927 /nfs/dbraw/zinc/02/49/27/895024927.db2.gz QNEOTXOIHHJORM-MAUKXSAKSA-N 2 2 399.495 3.702 20 5 GHBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1C(F)(F)F ZINC000600778236 902903076 /nfs/dbraw/zinc/90/30/76/902903076.db2.gz XDWSJJGIODKIIG-BBRMVZONSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1C(F)(F)F ZINC000600778236 902903083 /nfs/dbraw/zinc/90/30/83/902903083.db2.gz XDWSJJGIODKIIG-BBRMVZONSA-N 2 2 383.370 3.814 20 5 GHBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001173218621 906294382 /nfs/dbraw/zinc/29/43/82/906294382.db2.gz RBJXEVBUSFJOBP-AWEZNQCLSA-N 2 2 394.566 3.567 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001254537980 1040308329 /nfs/dbraw/zinc/30/83/29/1040308329.db2.gz LHIZDNAOUXRYMD-CQSZACIVSA-N 2 2 394.566 3.567 20 5 GHBDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580094 1040355571 /nfs/dbraw/zinc/35/55/71/1040355571.db2.gz BKPKWWVYPQLONS-OAQYLSRUSA-N 2 2 383.467 3.764 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001308803999 1050101413 /nfs/dbraw/zinc/10/14/13/1050101413.db2.gz XNMKCPBTLJXKST-SFHVURJKSA-N 2 2 399.491 3.701 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001308803999 1050101420 /nfs/dbraw/zinc/10/14/20/1050101420.db2.gz XNMKCPBTLJXKST-SFHVURJKSA-N 2 2 399.491 3.701 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC001200750127 1056888180 /nfs/dbraw/zinc/88/81/80/1056888180.db2.gz DUGGVVYTAKKBOI-UHFFFAOYSA-N 2 2 398.507 3.818 20 5 GHBDLP C[NH+](C)CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC001474425971 1074401412 /nfs/dbraw/zinc/40/14/12/1074401412.db2.gz NTYYWJNIHJULDZ-UHFFFAOYSA-N 2 2 376.320 3.630 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237350 843180611 /nfs/dbraw/zinc/18/06/11/843180611.db2.gz PTCFMITYEXHUFA-QFIPXVFZSA-N 2 2 381.476 3.572 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237350 843180618 /nfs/dbraw/zinc/18/06/18/843180618.db2.gz PTCFMITYEXHUFA-QFIPXVFZSA-N 2 2 381.476 3.572 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237350 843180624 /nfs/dbraw/zinc/18/06/24/843180624.db2.gz PTCFMITYEXHUFA-QFIPXVFZSA-N 2 2 381.476 3.572 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237350 843180629 /nfs/dbraw/zinc/18/06/29/843180629.db2.gz PTCFMITYEXHUFA-QFIPXVFZSA-N 2 2 381.476 3.572 20 5 GHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512475900 843952576 /nfs/dbraw/zinc/95/25/76/843952576.db2.gz WIPMMGUKEGSQKU-CTNGQTDRSA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512475900 843952581 /nfs/dbraw/zinc/95/25/81/843952581.db2.gz WIPMMGUKEGSQKU-CTNGQTDRSA-N 2 2 394.519 3.548 20 5 GHBDLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000435389108 850456117 /nfs/dbraw/zinc/45/61/17/850456117.db2.gz JAIGCILESLTHLQ-UHFFFAOYSA-N 2 2 394.269 3.801 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000595018569 858352027 /nfs/dbraw/zinc/35/20/27/858352027.db2.gz RYRGYEURHFFJPL-IAGOWNOFSA-N 2 2 399.491 3.675 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000595018569 858352035 /nfs/dbraw/zinc/35/20/35/858352035.db2.gz RYRGYEURHFFJPL-IAGOWNOFSA-N 2 2 399.491 3.675 20 5 GHBDLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171476 859861941 /nfs/dbraw/zinc/86/19/41/859861941.db2.gz NKWYHVPMKDKERV-FGZHOGPDSA-N 2 2 383.492 3.663 20 5 GHBDLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171476 859861952 /nfs/dbraw/zinc/86/19/52/859861952.db2.gz NKWYHVPMKDKERV-FGZHOGPDSA-N 2 2 383.492 3.663 20 5 GHBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001168974634 871071434 /nfs/dbraw/zinc/07/14/34/871071434.db2.gz RKRSPZPXYXUIOE-PGRDOPGGSA-N 2 2 379.504 3.743 20 5 GHBDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447515256 871733113 /nfs/dbraw/zinc/73/31/13/871733113.db2.gz JUMSJZRMFNJDDW-VAMGGRTRSA-N 2 2 385.512 3.948 20 5 GHBDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000619722901 872922049 /nfs/dbraw/zinc/92/20/49/872922049.db2.gz WEHFNDGPMXDLNY-AWEZNQCLSA-N 2 2 388.443 3.655 20 5 GHBDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000619722901 872922056 /nfs/dbraw/zinc/92/20/56/872922056.db2.gz WEHFNDGPMXDLNY-AWEZNQCLSA-N 2 2 388.443 3.655 20 5 GHBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000866310864 888824562 /nfs/dbraw/zinc/82/45/62/888824562.db2.gz XBGTYOFIEGVNEY-CVEARBPZSA-N 2 2 386.471 3.875 20 5 GHBDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866310867 888824705 /nfs/dbraw/zinc/82/47/05/888824705.db2.gz XBGTYOFIEGVNEY-JKSUJKDBSA-N 2 2 386.471 3.875 20 5 GHBDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040755 891130580 /nfs/dbraw/zinc/13/05/80/891130580.db2.gz MZTUNPBHAJHHHD-HNNXBMFYSA-N 2 2 387.455 3.541 20 5 GHBDLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc[nH+]1 ZINC001172911377 906018217 /nfs/dbraw/zinc/01/82/17/906018217.db2.gz AYFPHZHTBBZMFB-SFHVURJKSA-N 2 2 396.491 3.504 20 5 GHBDLP COc1cc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903103557 922776011 /nfs/dbraw/zinc/77/60/11/922776011.db2.gz JVGCXIFIWLOWFD-YWZLYKJASA-N 2 2 380.448 3.972 20 5 GHBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCC2 ZINC000371067239 924414051 /nfs/dbraw/zinc/41/40/51/924414051.db2.gz CDORXZWTXDIAPJ-OAHLLOKOSA-N 2 2 383.477 3.890 20 5 GHBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000559254213 932557027 /nfs/dbraw/zinc/55/70/27/932557027.db2.gz JBRHHKYTJHVSEO-UHFFFAOYSA-N 2 2 381.476 3.789 20 5 GHBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000559254213 932557034 /nfs/dbraw/zinc/55/70/34/932557034.db2.gz JBRHHKYTJHVSEO-UHFFFAOYSA-N 2 2 381.476 3.789 20 5 GHBDLP [NH3+]Cc1cccc(-c2c[nH+]cn2C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001254472923 1040258397 /nfs/dbraw/zinc/25/83/97/1040258397.db2.gz VMCKYZPJBXVTQP-UHFFFAOYSA-N 2 2 377.448 3.759 20 5 GHBDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481520 1040267781 /nfs/dbraw/zinc/26/77/81/1040267781.db2.gz WYLPVNDHPOEFRJ-UHFFFAOYSA-N 2 2 391.475 3.881 20 5 GHBDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481520 1040267792 /nfs/dbraw/zinc/26/77/92/1040267792.db2.gz WYLPVNDHPOEFRJ-UHFFFAOYSA-N 2 2 391.475 3.881 20 5 GHBDLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254534876 1040305442 /nfs/dbraw/zinc/30/54/42/1040305442.db2.gz CVHINDBNBNASAO-QGZVFWFLSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC001351996793 1064755149 /nfs/dbraw/zinc/75/51/49/1064755149.db2.gz DYEJGWMGKDFEFS-OAHLLOKOSA-N 2 2 385.464 3.624 20 5 GHBDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414846625 838887806 /nfs/dbraw/zinc/88/78/06/838887806.db2.gz NRSVFZWGFUWOSA-NRFANRHFSA-N 2 2 393.491 3.908 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549166322 839133407 /nfs/dbraw/zinc/13/34/07/839133407.db2.gz PGGQNYWHXXFPOY-NRFANRHFSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549166322 839133413 /nfs/dbraw/zinc/13/34/13/839133413.db2.gz PGGQNYWHXXFPOY-NRFANRHFSA-N 2 2 383.492 3.994 20 5 GHBDLP C[NH+](C/C=C\C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000255296775 841162443 /nfs/dbraw/zinc/16/24/43/841162443.db2.gz VZGSRSJNVZICAH-FPLPWBNLSA-N 2 2 384.436 3.623 20 5 GHBDLP C[NH+](C/C=C\C[N@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000255296775 841162455 /nfs/dbraw/zinc/16/24/55/841162455.db2.gz VZGSRSJNVZICAH-FPLPWBNLSA-N 2 2 384.436 3.623 20 5 GHBDLP C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185700666 861210716 /nfs/dbraw/zinc/21/07/16/861210716.db2.gz FRHZGIPVTBBZHR-WBVHZDCISA-N 2 2 384.480 3.992 20 5 GHBDLP C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700666 861210730 /nfs/dbraw/zinc/21/07/30/861210730.db2.gz FRHZGIPVTBBZHR-WBVHZDCISA-N 2 2 384.480 3.992 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682931 851489718 /nfs/dbraw/zinc/48/97/18/851489718.db2.gz YRJBSDNQEAPKRX-UHFFFAOYSA-N 2 2 384.480 3.906 20 5 GHBDLP COc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000441491401 855370074 /nfs/dbraw/zinc/37/00/74/855370074.db2.gz MZTBSUAFPRGMHQ-SFHVURJKSA-N 2 2 391.512 3.570 20 5 GHBDLP COc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000441491401 855370079 /nfs/dbraw/zinc/37/00/79/855370079.db2.gz MZTBSUAFPRGMHQ-SFHVURJKSA-N 2 2 391.512 3.570 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000595016904 858351692 /nfs/dbraw/zinc/35/16/92/858351692.db2.gz AVAJUYBAKITJEH-BEFAXECRSA-N 2 2 380.448 3.972 20 5 GHBDLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000509394573 859302050 /nfs/dbraw/zinc/30/20/50/859302050.db2.gz ZBXARHURDWESQI-HUUCEWRRSA-N 2 2 397.466 3.584 20 5 GHBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000494411240 881687283 /nfs/dbraw/zinc/68/72/83/881687283.db2.gz NNLXLVNZJPQXSM-KRWDZBQOSA-N 2 2 377.448 3.664 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001173193945 906280233 /nfs/dbraw/zinc/28/02/33/906280233.db2.gz SDIYZRSURDDKEH-GJZGRUSLSA-N 2 2 389.427 3.530 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001173193945 906280245 /nfs/dbraw/zinc/28/02/45/906280245.db2.gz SDIYZRSURDDKEH-GJZGRUSLSA-N 2 2 389.427 3.530 20 5 GHBDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001162333196 1025717286 /nfs/dbraw/zinc/71/72/86/1025717286.db2.gz DBXNUBACLBNYIO-UHFFFAOYSA-N 2 2 386.418 3.584 20 5 GHBDLP COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c([N+](=O)[O-])c1 ZINC001246999951 1037824105 /nfs/dbraw/zinc/82/41/05/1037824105.db2.gz CSXZPGFXCZMVSL-KRWDZBQOSA-N 2 2 395.503 3.671 20 5 GHBDLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001254548574 1040315775 /nfs/dbraw/zinc/31/57/75/1040315775.db2.gz OBHIRWIETQFDMK-KRWDZBQOSA-N 2 2 383.492 3.789 20 5 GHBDLP c1cc2ccc3ccc(C[N@@H+]4CCO[C@]5(C4)C[NH2+]CCOC5)c4ccc(c1)c2c34 ZINC001234999638 1040494623 /nfs/dbraw/zinc/49/46/23/1040494623.db2.gz SIUOFSDCAPYIPI-VWLOTQADSA-N 2 2 386.495 3.775 20 5 GHBDLP c1cc2ccc3ccc(C[N@H+]4CCO[C@]5(C4)C[NH2+]CCOC5)c4ccc(c1)c2c34 ZINC001234999638 1040494630 /nfs/dbraw/zinc/49/46/30/1040494630.db2.gz SIUOFSDCAPYIPI-VWLOTQADSA-N 2 2 386.495 3.775 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001308803997 1050101600 /nfs/dbraw/zinc/10/16/00/1050101600.db2.gz XNMKCPBTLJXKST-GOSISDBHSA-N 2 2 399.491 3.701 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001308803997 1050101608 /nfs/dbraw/zinc/10/16/08/1050101608.db2.gz XNMKCPBTLJXKST-GOSISDBHSA-N 2 2 399.491 3.701 20 5 GHBDLP Cc1ccc(C(C)C)c(Oc2ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc2[N+](=O)[O-])c1 ZINC000415065413 839141403 /nfs/dbraw/zinc/14/14/03/839141403.db2.gz GGIWHGXUPUGPKS-KRWDZBQOSA-N 2 2 387.480 3.570 20 5 GHBDLP Cc1ccc(C(C)C)c(Oc2ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc2[N+](=O)[O-])c1 ZINC000415065413 839141411 /nfs/dbraw/zinc/14/14/11/839141411.db2.gz GGIWHGXUPUGPKS-KRWDZBQOSA-N 2 2 387.480 3.570 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000516688533 852889517 /nfs/dbraw/zinc/88/95/17/852889517.db2.gz HJAMGRVJEMAEFC-QUCCMNQESA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000516688533 852889521 /nfs/dbraw/zinc/88/95/21/852889521.db2.gz HJAMGRVJEMAEFC-QUCCMNQESA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000516688533 852889527 /nfs/dbraw/zinc/88/95/27/852889527.db2.gz HJAMGRVJEMAEFC-QUCCMNQESA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000516688533 852889532 /nfs/dbraw/zinc/88/95/32/852889532.db2.gz HJAMGRVJEMAEFC-QUCCMNQESA-N 2 2 381.476 3.557 20 5 GHBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793303 854826256 /nfs/dbraw/zinc/82/62/56/854826256.db2.gz YVDPVYPKTCQXAO-JYJNAYRXSA-N 2 2 387.505 3.837 20 5 GHBDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793303 854826258 /nfs/dbraw/zinc/82/62/58/854826258.db2.gz YVDPVYPKTCQXAO-JYJNAYRXSA-N 2 2 387.505 3.837 20 5 GHBDLP COc1ccc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000521814070 858332838 /nfs/dbraw/zinc/33/28/38/858332838.db2.gz VKMVUSRGGVOBDY-UHFFFAOYSA-N 2 2 385.464 3.827 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000765359739 859926978 /nfs/dbraw/zinc/92/69/78/859926978.db2.gz RFPNFXSRZJYKOH-UHFFFAOYSA-N 2 2 377.448 3.539 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)c1F ZINC001173177788 906255367 /nfs/dbraw/zinc/25/53/67/906255367.db2.gz DHZQHZOPFFBANZ-ZBFHGGJFSA-N 2 2 379.476 3.528 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)c1F ZINC001173177788 906255379 /nfs/dbraw/zinc/25/53/79/906255379.db2.gz DHZQHZOPFFBANZ-ZBFHGGJFSA-N 2 2 379.476 3.528 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000750074377 927420333 /nfs/dbraw/zinc/42/03/33/927420333.db2.gz XQBHHKDHGDKPEU-DHIUTWEWSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000750074377 927420350 /nfs/dbraw/zinc/42/03/50/927420350.db2.gz XQBHHKDHGDKPEU-DHIUTWEWSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000750074377 927420353 /nfs/dbraw/zinc/42/03/53/927420353.db2.gz XQBHHKDHGDKPEU-DHIUTWEWSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000750074377 927420362 /nfs/dbraw/zinc/42/03/62/927420362.db2.gz XQBHHKDHGDKPEU-DHIUTWEWSA-N 2 2 395.503 3.616 20 5 GHBDLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1OC ZINC000576623903 1020046575 /nfs/dbraw/zinc/04/65/75/1020046575.db2.gz YHXMIDYTJKKBLT-UHFFFAOYSA-N 2 2 388.468 3.501 20 5 GHBDLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5ccc6cccnc6c5n4)C[C@H]3C2)nc1 ZINC001232221800 1035170074 /nfs/dbraw/zinc/17/00/74/1035170074.db2.gz CUAJVGKWSHSKKB-NHCUHLMSSA-N 2 2 395.510 3.742 20 5 GHBDLP C[C@@H](CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC001474437078 1074406132 /nfs/dbraw/zinc/40/61/32/1074406132.db2.gz TVJYDKLHRPJZAM-NSHDSACASA-N 2 2 376.320 3.773 20 5 GHBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173512855 839407990 /nfs/dbraw/zinc/40/79/90/839407990.db2.gz FVLZEOQCONLYED-UHFFFAOYSA-N 2 2 394.479 3.536 20 5 GHBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173512855 839408002 /nfs/dbraw/zinc/40/80/02/839408002.db2.gz FVLZEOQCONLYED-UHFFFAOYSA-N 2 2 394.479 3.536 20 5 GHBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279160212 842662095 /nfs/dbraw/zinc/66/20/95/842662095.db2.gz UAFHECVFUHCPGG-IBGZPJMESA-N 2 2 377.448 3.996 20 5 GHBDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513832217 850925862 /nfs/dbraw/zinc/92/58/62/850925862.db2.gz FQXCJKYNWVZADI-XLIONFOSSA-N 2 2 389.540 3.785 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000595007259 858364247 /nfs/dbraw/zinc/36/42/47/858364247.db2.gz LJXNKHMHKSVALM-QGZVFWFLSA-N 2 2 383.492 3.961 20 5 GHBDLP C[NH+]1CCC(CNc2ccc3cnccc3c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000599047774 860749760 /nfs/dbraw/zinc/74/97/60/860749760.db2.gz AWMREADTXDCLMZ-UHFFFAOYSA-N 2 2 383.496 3.505 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000152093583 868264964 /nfs/dbraw/zinc/26/49/64/868264964.db2.gz OQFKXKIDBDPJHG-NRFANRHFSA-N 2 2 376.460 3.951 20 5 GHBDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447539650 871807752 /nfs/dbraw/zinc/80/77/52/871807752.db2.gz HMQUCJQMJOFELY-QXAKKESOSA-N 2 2 385.512 3.994 20 5 GHBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)[nH+]c2)C1 ZINC000447603885 871964987 /nfs/dbraw/zinc/96/49/87/871964987.db2.gz ZFEWTRQFPOHJBF-ICSRJNTNSA-N 2 2 381.480 3.620 20 5 GHBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000872036371 891128626 /nfs/dbraw/zinc/12/86/26/891128626.db2.gz UQEGNJACQDZGAV-RHSMWYFYSA-N 2 2 379.526 3.611 20 5 GHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC001177804775 908764711 /nfs/dbraw/zinc/76/47/11/908764711.db2.gz RKYSUQRLKCZSHC-SFHVURJKSA-N 2 2 385.464 3.588 20 5 GHBDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000367452263 922113581 /nfs/dbraw/zinc/11/35/81/922113581.db2.gz SXVQGMUWEXJXOL-ZDUSSCGKSA-N 2 2 381.392 3.848 20 5 GHBDLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000903126951 922795102 /nfs/dbraw/zinc/79/51/02/922795102.db2.gz GAMOMACEJAPVGI-CVEARBPZSA-N 2 2 384.480 3.875 20 5 GHBDLP COc1cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc([N+](=O)[O-])c1 ZINC000903139321 922801137 /nfs/dbraw/zinc/80/11/37/922801137.db2.gz GUBIQYBBMWRNBJ-OAHLLOKOSA-N 2 2 399.495 3.702 20 5 GHBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1C(F)(F)F ZINC000600776316 1020248108 /nfs/dbraw/zinc/24/81/08/1020248108.db2.gz QZLXMSFJUDEJKN-WFASDCNBSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1C(F)(F)F ZINC000600776316 1020248115 /nfs/dbraw/zinc/24/81/15/1020248115.db2.gz QZLXMSFJUDEJKN-WFASDCNBSA-N 2 2 383.370 3.814 20 5 GHBDLP COC1CC[NH+](C2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)CC1 ZINC001232225487 1035170968 /nfs/dbraw/zinc/17/09/68/1035170968.db2.gz CRQVGPVZUVBNPD-UHFFFAOYSA-N 2 2 390.531 3.858 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c([N+](=O)[O-])c1 ZINC001247016446 1037841050 /nfs/dbraw/zinc/84/10/50/1037841050.db2.gz VJPLFGDMFWAWEC-MRXNPFEDSA-N 2 2 381.476 3.629 20 5 GHBDLP CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001320543680 1055872008 /nfs/dbraw/zinc/87/20/08/1055872008.db2.gz PPUBUBILBLRFGI-INIZCTEOSA-N 2 2 379.420 3.691 20 5 GHBDLP CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768957 834612626 /nfs/dbraw/zinc/61/26/26/834612626.db2.gz YWXSQMCSYUXRSF-LEWJYISDSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768957 834612629 /nfs/dbraw/zinc/61/26/29/834612629.db2.gz YWXSQMCSYUXRSF-LEWJYISDSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768957 834612633 /nfs/dbraw/zinc/61/26/33/834612633.db2.gz YWXSQMCSYUXRSF-LEWJYISDSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579768957 834612636 /nfs/dbraw/zinc/61/26/36/834612636.db2.gz YWXSQMCSYUXRSF-LEWJYISDSA-N 2 2 395.503 3.947 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180577427 837359574 /nfs/dbraw/zinc/35/95/74/837359574.db2.gz OKGATEAJHWSIEA-MBSDFSHPSA-N 2 2 395.503 3.775 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182091096 842726820 /nfs/dbraw/zinc/72/68/20/842726820.db2.gz SMHQEGGOVOQCQJ-HNNXBMFYSA-N 2 2 397.504 3.907 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182091096 842726829 /nfs/dbraw/zinc/72/68/29/842726829.db2.gz SMHQEGGOVOQCQJ-HNNXBMFYSA-N 2 2 397.504 3.907 20 5 GHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512480138 843964015 /nfs/dbraw/zinc/96/40/15/843964015.db2.gz LJNONTFAQMWYIS-WMZHIEFXSA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512480138 843964020 /nfs/dbraw/zinc/96/40/20/843964020.db2.gz LJNONTFAQMWYIS-WMZHIEFXSA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806717 856029688 /nfs/dbraw/zinc/02/96/88/856029688.db2.gz PLFKFKGCWGVNQF-QGZVFWFLSA-N 2 2 388.512 3.510 20 5 GHBDLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000116396667 858958841 /nfs/dbraw/zinc/95/88/41/858958841.db2.gz LEORBUBMLRLQPT-BLLLJJGKSA-N 2 2 384.908 3.531 20 5 GHBDLP Cc1nn(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049935 859751985 /nfs/dbraw/zinc/75/19/85/859751985.db2.gz UZEGOHWLYCCLMJ-LJQANCHMSA-N 2 2 393.491 3.664 20 5 GHBDLP Cc1nn(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049935 859751988 /nfs/dbraw/zinc/75/19/88/859751988.db2.gz UZEGOHWLYCCLMJ-LJQANCHMSA-N 2 2 393.491 3.664 20 5 GHBDLP Cc1nn(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049935 859751992 /nfs/dbraw/zinc/75/19/92/859751992.db2.gz UZEGOHWLYCCLMJ-LJQANCHMSA-N 2 2 393.491 3.664 20 5 GHBDLP Cc1nn(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049935 859751994 /nfs/dbraw/zinc/75/19/94/859751994.db2.gz UZEGOHWLYCCLMJ-LJQANCHMSA-N 2 2 393.491 3.664 20 5 GHBDLP C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611517948 859796700 /nfs/dbraw/zinc/79/67/00/859796700.db2.gz BFRMPAUKMFHEGA-WBVHZDCISA-N 2 2 380.448 3.736 20 5 GHBDLP C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611517948 859796707 /nfs/dbraw/zinc/79/67/07/859796707.db2.gz BFRMPAUKMFHEGA-WBVHZDCISA-N 2 2 380.448 3.736 20 5 GHBDLP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003066 860526383 /nfs/dbraw/zinc/52/63/83/860526383.db2.gz GPFGLHDMTGKUEK-UHFFFAOYSA-N 2 2 396.447 3.559 20 5 GHBDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447539653 871808212 /nfs/dbraw/zinc/80/82/12/871808212.db2.gz HMQUCJQMJOFELY-YTQUADARSA-N 2 2 385.512 3.994 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460343935 872773824 /nfs/dbraw/zinc/77/38/24/872773824.db2.gz UFRYGORTNXSQQK-IRXDYDNUSA-N 2 2 383.492 3.850 20 5 GHBDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000453327231 880799605 /nfs/dbraw/zinc/79/96/05/880799605.db2.gz OMDSJEWNSMQGTG-INIZCTEOSA-N 2 2 396.491 3.868 20 5 GHBDLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000116396918 883410772 /nfs/dbraw/zinc/41/07/72/883410772.db2.gz CKPVOMZRWBLKMF-MLGOLLRUSA-N 2 2 384.908 3.531 20 5 GHBDLP COc1ccc(-c2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000564655254 895158890 /nfs/dbraw/zinc/15/88/90/895158890.db2.gz IETLFDFCZNDPMW-UHFFFAOYSA-N 2 2 385.464 3.827 20 5 GHBDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000819065253 896382636 /nfs/dbraw/zinc/38/26/36/896382636.db2.gz FKEPREAPYJUDGW-UTKZUKDTSA-N 2 2 383.492 3.881 20 5 GHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000569563048 898787643 /nfs/dbraw/zinc/78/76/43/898787643.db2.gz YEMADAWBGPNOOE-UHFFFAOYSA-N 2 2 399.495 3.621 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC([NH+]4CCCCC4)CC3)o2)c1 ZINC000264155110 902880604 /nfs/dbraw/zinc/88/06/04/902880604.db2.gz DRRAHLIKMCSOBA-UHFFFAOYSA-N 2 2 384.480 3.743 20 5 GHBDLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114475654 919391596 /nfs/dbraw/zinc/39/15/96/919391596.db2.gz ZELAVRNJXBPUQZ-UHFFFAOYSA-N 2 2 396.919 3.631 20 5 GHBDLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114475654 919391608 /nfs/dbraw/zinc/39/16/08/919391608.db2.gz ZELAVRNJXBPUQZ-UHFFFAOYSA-N 2 2 396.919 3.631 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)o2)c1 ZINC001119449933 934353415 /nfs/dbraw/zinc/35/34/15/934353415.db2.gz BCAYVZAMVQDDOW-UHFFFAOYSA-N 2 2 385.464 3.588 20 5 GHBDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC001461013931 1069336028 /nfs/dbraw/zinc/33/60/28/1069336028.db2.gz NJSREIUFLGZRHL-UHFFFAOYSA-N 2 2 396.535 3.822 20 5 GHBDLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)c1 ZINC001232219789 1035168632 /nfs/dbraw/zinc/16/86/32/1035168632.db2.gz FAWCSBCARMLVKF-VXKWHMMOSA-N 2 2 395.510 3.742 20 5 GHBDLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254536866 1040309180 /nfs/dbraw/zinc/30/91/80/1040309180.db2.gz UTZZVWLWDQNBRN-QGZVFWFLSA-N 2 2 383.492 3.789 20 5 GHBDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605678 1040376691 /nfs/dbraw/zinc/37/66/91/1040376691.db2.gz CFKIUIZRYSSBRK-QFIPXVFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605678 1040376704 /nfs/dbraw/zinc/37/67/04/1040376704.db2.gz CFKIUIZRYSSBRK-QFIPXVFZSA-N 2 2 383.467 3.798 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)o2)cc1 ZINC001353605261 1066079158 /nfs/dbraw/zinc/07/91/58/1066079158.db2.gz QZLOGYQAXSZHGH-UHFFFAOYSA-N 2 2 385.464 3.588 20 5 GHBDLP CCc1ccc([C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[NH+](CC)CC)cc1 ZINC001474552172 1074459988 /nfs/dbraw/zinc/45/99/88/1074459988.db2.gz BITGAPSEVXLPAP-GZNCHQMQSA-N 2 2 385.512 3.730 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000061556935 862143861 /nfs/dbraw/zinc/14/38/61/862143861.db2.gz XBUJWSOJKWSQFX-UHFFFAOYSA-N 2 2 391.475 3.633 20 5 GHBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695920 850775926 /nfs/dbraw/zinc/77/59/26/850775926.db2.gz OOSHFOFTUAYMFR-GOSISDBHSA-N 2 2 375.469 3.940 20 5 GHBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695920 850775932 /nfs/dbraw/zinc/77/59/32/850775932.db2.gz OOSHFOFTUAYMFR-GOSISDBHSA-N 2 2 375.469 3.940 20 5 GHBDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513832218 850925768 /nfs/dbraw/zinc/92/57/68/850925768.db2.gz FQXCJKYNWVZADI-YLJYHZDGSA-N 2 2 389.540 3.785 20 5 GHBDLP COc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397873 854181524 /nfs/dbraw/zinc/18/15/24/854181524.db2.gz RJCMYHOPULFRBJ-ZWKOTPCHSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397873 854181532 /nfs/dbraw/zinc/18/15/32/854181532.db2.gz RJCMYHOPULFRBJ-ZWKOTPCHSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397873 854181538 /nfs/dbraw/zinc/18/15/38/854181538.db2.gz RJCMYHOPULFRBJ-ZWKOTPCHSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397873 854181542 /nfs/dbraw/zinc/18/15/42/854181542.db2.gz RJCMYHOPULFRBJ-ZWKOTPCHSA-N 2 2 391.512 3.569 20 5 GHBDLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000114197051 857935908 /nfs/dbraw/zinc/93/59/08/857935908.db2.gz UWZDZOLUEKNWAI-UHFFFAOYSA-N 2 2 396.919 3.631 20 5 GHBDLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000114197051 857935911 /nfs/dbraw/zinc/93/59/11/857935911.db2.gz UWZDZOLUEKNWAI-UHFFFAOYSA-N 2 2 396.919 3.631 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC001170324108 881359781 /nfs/dbraw/zinc/35/97/81/881359781.db2.gz ODZJKAKHTQOCDF-OAHLLOKOSA-N 2 2 387.455 3.624 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000776586211 878232553 /nfs/dbraw/zinc/23/25/53/878232553.db2.gz KTGRXOIUYSGXKI-AKIFATBCSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000776586211 878232564 /nfs/dbraw/zinc/23/25/64/878232564.db2.gz KTGRXOIUYSGXKI-AKIFATBCSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000776586211 878232582 /nfs/dbraw/zinc/23/25/82/878232582.db2.gz KTGRXOIUYSGXKI-AKIFATBCSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000776586211 878232597 /nfs/dbraw/zinc/23/25/97/878232597.db2.gz KTGRXOIUYSGXKI-AKIFATBCSA-N 2 2 395.503 3.615 20 5 GHBDLP Cc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000237766400 884850246 /nfs/dbraw/zinc/85/02/46/884850246.db2.gz HMNGIAJMVZAPBS-UHFFFAOYSA-N 2 2 396.535 3.591 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166359 901148977 /nfs/dbraw/zinc/14/89/77/901148977.db2.gz FRGYWELMTYTHAY-UYAOXDASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166359 901148987 /nfs/dbraw/zinc/14/89/87/901148987.db2.gz FRGYWELMTYTHAY-UYAOXDASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166359 901148994 /nfs/dbraw/zinc/14/89/94/901148994.db2.gz FRGYWELMTYTHAY-UYAOXDASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166359 901149003 /nfs/dbraw/zinc/14/90/03/901149003.db2.gz FRGYWELMTYTHAY-UYAOXDASSA-N 2 2 381.476 3.557 20 5 GHBDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578758042 904102776 /nfs/dbraw/zinc/10/27/76/904102776.db2.gz RKCCUEZWQRSWJK-HXUWFJFHSA-N 2 2 393.491 3.861 20 5 GHBDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578758042 904102781 /nfs/dbraw/zinc/10/27/81/904102781.db2.gz RKCCUEZWQRSWJK-HXUWFJFHSA-N 2 2 393.491 3.861 20 5 GHBDLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[nH+]c1 ZINC001172913974 905984257 /nfs/dbraw/zinc/98/42/57/905984257.db2.gz WREGMQFIOYNENO-IBGZPJMESA-N 2 2 380.492 3.804 20 5 GHBDLP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc([N+](=O)[O-])cc1 ZINC001179574613 909584332 /nfs/dbraw/zinc/58/43/32/909584332.db2.gz CQWYRBKIEZQFCT-GFCCVEGCSA-N 2 2 393.390 3.829 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)o2)c(Cl)c1 ZINC000903955921 923434825 /nfs/dbraw/zinc/43/48/25/923434825.db2.gz CDMGEEOMPSIGPF-NSHDSACASA-N 2 2 385.798 3.843 20 5 GHBDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000576106673 1019980158 /nfs/dbraw/zinc/98/01/58/1019980158.db2.gz FNNMIHOHAFAMBB-LJQANCHMSA-N 2 2 381.476 3.890 20 5 GHBDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000576106673 1019980171 /nfs/dbraw/zinc/98/01/71/1019980171.db2.gz FNNMIHOHAFAMBB-LJQANCHMSA-N 2 2 381.476 3.890 20 5 GHBDLP [NH3+][C@@H]1C[C@H](O)C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958476 1033183864 /nfs/dbraw/zinc/18/38/64/1033183864.db2.gz WPBHQQSSRPJEPP-CABCVRRESA-N 2 2 384.483 3.850 20 5 GHBDLP [NH3+][C@@H]1C[C@H](O)C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958476 1033183871 /nfs/dbraw/zinc/18/38/71/1033183871.db2.gz WPBHQQSSRPJEPP-CABCVRRESA-N 2 2 384.483 3.850 20 5 GHBDLP c1cc2ccc3ccc(C[N@@H+]4CCOC[C@@]5(C[NH2+]CCO5)C4)c4ccc(c1)c2c34 ZINC001222186343 1029993043 /nfs/dbraw/zinc/99/30/43/1029993043.db2.gz FEBNMJSWNVJCBR-RUZDIDTESA-N 2 2 386.495 3.775 20 5 GHBDLP c1cc2ccc3ccc(C[N@H+]4CCOC[C@@]5(C[NH2+]CCO5)C4)c4ccc(c1)c2c34 ZINC001222186343 1029993048 /nfs/dbraw/zinc/99/30/48/1029993048.db2.gz FEBNMJSWNVJCBR-RUZDIDTESA-N 2 2 386.495 3.775 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC(Oc4cc[nH+]cc4)CC3)CC2)cc1 ZINC001254475028 1040261700 /nfs/dbraw/zinc/26/17/00/1040261700.db2.gz YRBODXDLGKSEGQ-UHFFFAOYSA-N 2 2 382.464 3.502 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000430219733 835232554 /nfs/dbraw/zinc/23/25/54/835232554.db2.gz PEOVZWXQHKGNQZ-IRXDYDNUSA-N 2 2 383.492 3.850 20 5 GHBDLP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517539031 852068077 /nfs/dbraw/zinc/06/80/77/852068077.db2.gz YHCKHXMITNVCBW-INIZCTEOSA-N 2 2 396.447 3.557 20 5 GHBDLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146258 859832824 /nfs/dbraw/zinc/83/28/24/859832824.db2.gz NLRHGMJZDJBDKM-ACIOBRDBSA-N 2 2 397.519 3.909 20 5 GHBDLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146258 859832834 /nfs/dbraw/zinc/83/28/34/859832834.db2.gz NLRHGMJZDJBDKM-ACIOBRDBSA-N 2 2 397.519 3.909 20 5 GHBDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602547527 860092628 /nfs/dbraw/zinc/09/26/28/860092628.db2.gz UOFYQSTXNQRZNN-KRWDZBQOSA-N 2 2 397.523 3.678 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481188149 865966538 /nfs/dbraw/zinc/96/65/38/865966538.db2.gz HNWSJKXHRCOLBQ-BEFAXECRSA-N 2 2 387.455 3.743 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481188149 865966544 /nfs/dbraw/zinc/96/65/44/865966544.db2.gz HNWSJKXHRCOLBQ-BEFAXECRSA-N 2 2 387.455 3.743 20 5 GHBDLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000463107469 870897116 /nfs/dbraw/zinc/89/71/16/870897116.db2.gz DLGUJGHISDLJLM-UHFFFAOYSA-N 2 2 387.455 3.539 20 5 GHBDLP CC1CC[NH+]([C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2)CC1 ZINC000876959607 893406743 /nfs/dbraw/zinc/40/67/43/893406743.db2.gz VYVHCMKXEKWFFA-GRERDSQWSA-N 2 2 383.496 3.558 20 5 GHBDLP CC(C)c1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000536707680 893611608 /nfs/dbraw/zinc/61/16/08/893611608.db2.gz MDSPGUCCRNZSCR-UHFFFAOYSA-N 2 2 388.556 3.709 20 5 GHBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000564612139 895122155 /nfs/dbraw/zinc/12/21/55/895122155.db2.gz SOAACDVQTRUXFT-CQSZACIVSA-N 2 2 382.420 3.586 20 5 GHBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000564612139 895122164 /nfs/dbraw/zinc/12/21/64/895122164.db2.gz SOAACDVQTRUXFT-CQSZACIVSA-N 2 2 382.420 3.586 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575166358 901149430 /nfs/dbraw/zinc/14/94/30/901149430.db2.gz FRGYWELMTYTHAY-QUCCMNQESA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575166358 901149434 /nfs/dbraw/zinc/14/94/34/901149434.db2.gz FRGYWELMTYTHAY-QUCCMNQESA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166358 901149438 /nfs/dbraw/zinc/14/94/38/901149438.db2.gz FRGYWELMTYTHAY-QUCCMNQESA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166358 901149444 /nfs/dbraw/zinc/14/94/44/901149444.db2.gz FRGYWELMTYTHAY-QUCCMNQESA-N 2 2 381.476 3.557 20 5 GHBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C(F)(F)F ZINC000600777554 902899341 /nfs/dbraw/zinc/89/93/41/902899341.db2.gz UZQCRLWYORRQGY-BBRMVZONSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C(F)(F)F ZINC000600777554 902899355 /nfs/dbraw/zinc/89/93/55/902899355.db2.gz UZQCRLWYORRQGY-BBRMVZONSA-N 2 2 383.370 3.814 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191358516 917926525 /nfs/dbraw/zinc/92/65/25/917926525.db2.gz LXYOADIHRDNGFV-QHCPKHFHSA-N 2 2 395.503 3.962 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191358516 917926534 /nfs/dbraw/zinc/92/65/34/917926534.db2.gz LXYOADIHRDNGFV-QHCPKHFHSA-N 2 2 395.503 3.962 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001191358516 917926546 /nfs/dbraw/zinc/92/65/46/917926546.db2.gz LXYOADIHRDNGFV-QHCPKHFHSA-N 2 2 395.503 3.962 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001191358516 917926556 /nfs/dbraw/zinc/92/65/56/917926556.db2.gz LXYOADIHRDNGFV-QHCPKHFHSA-N 2 2 395.503 3.962 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001461119410 1069399518 /nfs/dbraw/zinc/39/95/18/1069399518.db2.gz FUTGMNDIXMKRDN-LJQANCHMSA-N 2 2 383.492 3.995 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461119410 1069399527 /nfs/dbraw/zinc/39/95/27/1069399527.db2.gz FUTGMNDIXMKRDN-LJQANCHMSA-N 2 2 383.492 3.995 20 5 GHBDLP c1cc2ccc3ccc(C[N@@H+]4CCOC[C@]5(C[NH2+]CCO5)C4)c4ccc(c1)c2c34 ZINC001222186344 1029993183 /nfs/dbraw/zinc/99/31/83/1029993183.db2.gz FEBNMJSWNVJCBR-VWLOTQADSA-N 2 2 386.495 3.775 20 5 GHBDLP c1cc2ccc3ccc(C[N@H+]4CCOC[C@]5(C[NH2+]CCO5)C4)c4ccc(c1)c2c34 ZINC001222186344 1029993193 /nfs/dbraw/zinc/99/31/93/1029993193.db2.gz FEBNMJSWNVJCBR-VWLOTQADSA-N 2 2 386.495 3.775 20 5 GHBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)c1 ZINC001232228666 1035173414 /nfs/dbraw/zinc/17/34/14/1035173414.db2.gz UJEHWEKEWYVWCW-UHFFFAOYSA-N 2 2 385.471 3.509 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001262218624 1046214795 /nfs/dbraw/zinc/21/47/95/1046214795.db2.gz NLYQOHGZBJVCGW-ZDUSSCGKSA-N 2 2 393.285 3.546 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001262218624 1046214799 /nfs/dbraw/zinc/21/47/99/1046214799.db2.gz NLYQOHGZBJVCGW-ZDUSSCGKSA-N 2 2 393.285 3.546 20 5 GHBDLP C[NH+]1CCC([NH+]2CCC(Nc3c(Cl)c(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC001472677418 1073611948 /nfs/dbraw/zinc/61/19/48/1073611948.db2.gz SDNFKWDWJKGYEY-UHFFFAOYSA-N 2 2 387.311 3.872 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072315 837457043 /nfs/dbraw/zinc/45/70/43/837457043.db2.gz ZGMVMKRXNICPFY-IBGZPJMESA-N 2 2 381.476 3.890 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072315 837457049 /nfs/dbraw/zinc/45/70/49/837457049.db2.gz ZGMVMKRXNICPFY-IBGZPJMESA-N 2 2 381.476 3.890 20 5 GHBDLP Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)cc2[N+](=O)[O-])cc1 ZINC000415030073 839088574 /nfs/dbraw/zinc/08/85/74/839088574.db2.gz BSGMWHRMHOFZHT-QGZVFWFLSA-N 2 2 387.505 3.523 20 5 GHBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)[nH+]c2)C1 ZINC000433215733 843867360 /nfs/dbraw/zinc/86/73/60/843867360.db2.gz RAYNHXSLPDXMNK-YLJYHZDGSA-N 2 2 395.507 3.965 20 5 GHBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)c([N+](=O)[O-])c1 ZINC000435055762 850030029 /nfs/dbraw/zinc/03/00/29/850030029.db2.gz JVSNOTXURVJWKO-GOSISDBHSA-N 2 2 395.415 3.912 20 5 GHBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)c([N+](=O)[O-])c1 ZINC000435055762 850030039 /nfs/dbraw/zinc/03/00/39/850030039.db2.gz JVSNOTXURVJWKO-GOSISDBHSA-N 2 2 395.415 3.912 20 5 GHBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806714 856029785 /nfs/dbraw/zinc/02/97/85/856029785.db2.gz PLFKFKGCWGVNQF-KRWDZBQOSA-N 2 2 388.512 3.510 20 5 GHBDLP CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394263 857284417 /nfs/dbraw/zinc/28/44/17/857284417.db2.gz GDNGNLNYRBXHPB-UHFFFAOYSA-N 2 2 384.480 3.607 20 5 GHBDLP CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394263 857284456 /nfs/dbraw/zinc/28/44/56/857284456.db2.gz GDNGNLNYRBXHPB-UHFFFAOYSA-N 2 2 384.480 3.607 20 5 GHBDLP COc1ccc(C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170323443 881358143 /nfs/dbraw/zinc/35/81/43/881358143.db2.gz KFYDFHPSWPFVRD-SZMVWBNQSA-N 2 2 384.480 3.706 20 5 GHBDLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000509394572 859301679 /nfs/dbraw/zinc/30/16/79/859301679.db2.gz ZBXARHURDWESQI-GJZGRUSLSA-N 2 2 397.466 3.584 20 5 GHBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429423696 859336907 /nfs/dbraw/zinc/33/69/07/859336907.db2.gz YVJKCARLDKZNNH-UGKGYDQZSA-N 2 2 397.519 3.797 20 5 GHBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429423696 859336915 /nfs/dbraw/zinc/33/69/15/859336915.db2.gz YVJKCARLDKZNNH-UGKGYDQZSA-N 2 2 397.519 3.797 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481188155 865965969 /nfs/dbraw/zinc/96/59/69/865965969.db2.gz HNWSJKXHRCOLBQ-KXBFYZLASA-N 2 2 387.455 3.743 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481188155 865965978 /nfs/dbraw/zinc/96/59/78/865965978.db2.gz HNWSJKXHRCOLBQ-KXBFYZLASA-N 2 2 387.455 3.743 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481188151 865966125 /nfs/dbraw/zinc/96/61/25/865966125.db2.gz HNWSJKXHRCOLBQ-DNVCBOLYSA-N 2 2 387.455 3.743 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481188151 865966130 /nfs/dbraw/zinc/96/61/30/865966130.db2.gz HNWSJKXHRCOLBQ-DNVCBOLYSA-N 2 2 387.455 3.743 20 5 GHBDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447515238 871733193 /nfs/dbraw/zinc/73/31/93/871733193.db2.gz JUMSJZRMFNJDDW-HSALFYBXSA-N 2 2 385.512 3.948 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449132085 874516148 /nfs/dbraw/zinc/51/61/48/874516148.db2.gz RPWCBPRITDNGKM-QGZVFWFLSA-N 2 2 383.492 3.789 20 5 GHBDLP CC1CC[NH+]([C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2)CC1 ZINC000876959608 893406329 /nfs/dbraw/zinc/40/63/29/893406329.db2.gz VYVHCMKXEKWFFA-GZNCHQMQSA-N 2 2 383.496 3.558 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)o2)c(Br)c1 ZINC000563414777 893707380 /nfs/dbraw/zinc/70/73/80/893707380.db2.gz ASRNQKAKGFFUSL-UHFFFAOYSA-N 2 2 394.269 3.803 20 5 GHBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCC2 ZINC000371067234 924413955 /nfs/dbraw/zinc/41/39/55/924413955.db2.gz CDORXZWTXDIAPJ-HNNXBMFYSA-N 2 2 383.477 3.890 20 5 GHBDLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467835851 929485813 /nfs/dbraw/zinc/48/58/13/929485813.db2.gz AELHYDHKXUZALP-HXUWFJFHSA-N 2 2 396.535 3.843 20 5 GHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414846629 838887385 /nfs/dbraw/zinc/88/73/85/838887385.db2.gz NRSVFZWGFUWOSA-OAQYLSRUSA-N 2 2 393.491 3.908 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCC2 ZINC000417323704 840723412 /nfs/dbraw/zinc/72/34/12/840723412.db2.gz OVIRTMKCKPCKFW-QHCPKHFHSA-N 2 2 395.503 3.984 20 5 GHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440644 850528924 /nfs/dbraw/zinc/52/89/24/850528924.db2.gz YMZMEXSEWXQKPI-AJNOYIKESA-N 2 2 384.505 3.709 20 5 GHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440644 850528933 /nfs/dbraw/zinc/52/89/33/850528933.db2.gz YMZMEXSEWXQKPI-AJNOYIKESA-N 2 2 384.505 3.709 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425975943 852217115 /nfs/dbraw/zinc/21/71/15/852217115.db2.gz PBHBQPSOINODKX-GCJKJVERSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425975943 852217118 /nfs/dbraw/zinc/21/71/18/852217118.db2.gz PBHBQPSOINODKX-GCJKJVERSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425975943 852217133 /nfs/dbraw/zinc/21/71/33/852217133.db2.gz PBHBQPSOINODKX-GCJKJVERSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425975943 852217147 /nfs/dbraw/zinc/21/71/47/852217147.db2.gz PBHBQPSOINODKX-GCJKJVERSA-N 2 2 383.492 3.533 20 5 GHBDLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000116396670 858958872 /nfs/dbraw/zinc/95/88/72/858958872.db2.gz LEORBUBMLRLQPT-MLGOLLRUSA-N 2 2 384.908 3.531 20 5 GHBDLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000603633156 860952565 /nfs/dbraw/zinc/95/25/65/860952565.db2.gz FJOZURBIXCVGIP-MRXNPFEDSA-N 2 2 396.447 3.557 20 5 GHBDLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000481322298 861091294 /nfs/dbraw/zinc/09/12/94/861091294.db2.gz ZTCBBMFXARQVRP-HXUWFJFHSA-N 2 2 396.535 3.843 20 5 GHBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000494411241 881687038 /nfs/dbraw/zinc/68/70/38/881687038.db2.gz NNLXLVNZJPQXSM-QGZVFWFLSA-N 2 2 377.448 3.664 20 5 GHBDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850363 870539682 /nfs/dbraw/zinc/53/96/82/870539682.db2.gz YKVVRNOAQLDSAM-UHFFFAOYSA-N 2 2 381.480 3.719 20 5 GHBDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850363 870539704 /nfs/dbraw/zinc/53/97/04/870539704.db2.gz YKVVRNOAQLDSAM-UHFFFAOYSA-N 2 2 381.480 3.719 20 5 GHBDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615796104 878118775 /nfs/dbraw/zinc/11/87/75/878118775.db2.gz QCTNHYFDLBHQSB-HZPDHXFCSA-N 2 2 394.475 3.982 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428554692 884975647 /nfs/dbraw/zinc/97/56/47/884975647.db2.gz SUMUBOQVITUZQE-FMTUWFKASA-N 2 2 395.503 3.879 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428554692 884975664 /nfs/dbraw/zinc/97/56/64/884975664.db2.gz SUMUBOQVITUZQE-FMTUWFKASA-N 2 2 395.503 3.879 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001173176574 906253846 /nfs/dbraw/zinc/25/38/46/906253846.db2.gz IRMQBFKHWACGDD-AWEZNQCLSA-N 2 2 384.411 3.649 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798498209 932672846 /nfs/dbraw/zinc/67/28/46/932672846.db2.gz NFASECROXYDODU-JOCHJYFZSA-N 2 2 383.492 3.995 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498209 932672847 /nfs/dbraw/zinc/67/28/47/932672847.db2.gz NFASECROXYDODU-JOCHJYFZSA-N 2 2 383.492 3.995 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001117993481 934073765 /nfs/dbraw/zinc/07/37/65/934073765.db2.gz XKWBKJMPDYLQOC-ZDUSSCGKSA-N 2 2 393.285 3.546 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001117993481 934073775 /nfs/dbraw/zinc/07/37/75/934073775.db2.gz XKWBKJMPDYLQOC-ZDUSSCGKSA-N 2 2 393.285 3.546 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1Oc1ccc(F)cc1 ZINC000581078502 837457582 /nfs/dbraw/zinc/45/75/82/837457582.db2.gz XAELNAODWBBCJE-HNNXBMFYSA-N 2 2 382.395 3.896 20 5 GHBDLP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000728571626 834792082 /nfs/dbraw/zinc/79/20/82/834792082.db2.gz HRJZOUUCAHIDKU-AWEZNQCLSA-N 2 2 396.919 3.627 20 5 GHBDLP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000728571626 834792086 /nfs/dbraw/zinc/79/20/86/834792086.db2.gz HRJZOUUCAHIDKU-AWEZNQCLSA-N 2 2 396.919 3.627 20 5 GHBDLP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180403193 837210308 /nfs/dbraw/zinc/21/03/08/837210308.db2.gz VSJOCTXSSBCWDY-JOCHJYFZSA-N 2 2 383.492 3.775 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCC2 ZINC000417323701 840723618 /nfs/dbraw/zinc/72/36/18/840723618.db2.gz OVIRTMKCKPCKFW-HSZRJFAPSA-N 2 2 395.503 3.984 20 5 GHBDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135845 855310142 /nfs/dbraw/zinc/31/01/42/855310142.db2.gz YZCXVWOGJKJMAU-CYBMUJFWSA-N 2 2 386.418 3.502 20 5 GHBDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135845 855310146 /nfs/dbraw/zinc/31/01/46/855310146.db2.gz YZCXVWOGJKJMAU-CYBMUJFWSA-N 2 2 386.418 3.502 20 5 GHBDLP COc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC001170354314 881396317 /nfs/dbraw/zinc/39/63/17/881396317.db2.gz IOKQRBXKHYNJDS-INIZCTEOSA-N 2 2 380.448 3.852 20 5 GHBDLP COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC001170354314 881396333 /nfs/dbraw/zinc/39/63/33/881396333.db2.gz IOKQRBXKHYNJDS-INIZCTEOSA-N 2 2 380.448 3.852 20 5 GHBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173512321 864842088 /nfs/dbraw/zinc/84/20/88/864842088.db2.gz JAJHGGBGDTYNAY-UHFFFAOYSA-N 2 2 394.479 3.536 20 5 GHBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173512321 864842102 /nfs/dbraw/zinc/84/21/02/864842102.db2.gz JAJHGGBGDTYNAY-UHFFFAOYSA-N 2 2 394.479 3.536 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000479883690 868679093 /nfs/dbraw/zinc/67/90/93/868679093.db2.gz FVPUYQBJIPDOAA-IYBDPMFKSA-N 2 2 387.455 3.633 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000479883690 868679099 /nfs/dbraw/zinc/67/90/99/868679099.db2.gz FVPUYQBJIPDOAA-IYBDPMFKSA-N 2 2 387.455 3.633 20 5 GHBDLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753507 901276572 /nfs/dbraw/zinc/27/65/72/901276572.db2.gz VNWLLBIGLNBXLX-KRWDZBQOSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753507 901276580 /nfs/dbraw/zinc/27/65/80/901276580.db2.gz VNWLLBIGLNBXLX-KRWDZBQOSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753507 901276592 /nfs/dbraw/zinc/27/65/92/901276592.db2.gz VNWLLBIGLNBXLX-KRWDZBQOSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1[N+](=O)[O-] ZINC000575753507 901276605 /nfs/dbraw/zinc/27/66/05/901276605.db2.gz VNWLLBIGLNBXLX-KRWDZBQOSA-N 2 2 389.521 3.927 20 5 GHBDLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001274927559 912030760 /nfs/dbraw/zinc/03/07/60/912030760.db2.gz VGLJRSOGAVCKHT-UHFFFAOYSA-N 2 2 399.495 3.509 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)c(Br)c1 ZINC000236568675 836196485 /nfs/dbraw/zinc/19/64/85/836196485.db2.gz NRDIYSLNXKAXIZ-UHFFFAOYSA-N 2 2 391.225 3.604 20 5 GHBDLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000162035557 861387260 /nfs/dbraw/zinc/38/72/60/861387260.db2.gz JLEOFXQXULVZSZ-OAQYLSRUSA-N 2 2 399.491 3.547 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425975942 852216469 /nfs/dbraw/zinc/21/64/69/852216469.db2.gz PBHBQPSOINODKX-AVRDEDQJSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425975942 852216475 /nfs/dbraw/zinc/21/64/75/852216475.db2.gz PBHBQPSOINODKX-AVRDEDQJSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425975942 852216478 /nfs/dbraw/zinc/21/64/78/852216478.db2.gz PBHBQPSOINODKX-AVRDEDQJSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425975942 852216483 /nfs/dbraw/zinc/21/64/83/852216483.db2.gz PBHBQPSOINODKX-AVRDEDQJSA-N 2 2 383.492 3.533 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000595102734 858405715 /nfs/dbraw/zinc/40/57/15/858405715.db2.gz LNMIMKBCFHKTRV-FGZHOGPDSA-N 2 2 381.476 3.527 20 5 GHBDLP Cc1nn(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000788382609 878047158 /nfs/dbraw/zinc/04/71/58/878047158.db2.gz OPNFQGFENVFZSU-UHFFFAOYSA-N 2 2 394.479 3.623 20 5 GHBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228707 1069452185 /nfs/dbraw/zinc/45/21/85/1069452185.db2.gz DWLLITWGRBJELT-YJYMSZOUSA-N 2 2 391.493 3.543 20 5 GHBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228707 1069452186 /nfs/dbraw/zinc/45/21/86/1069452186.db2.gz DWLLITWGRBJELT-YJYMSZOUSA-N 2 2 391.493 3.543 20 5 GHBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNc3cc4cc[nH]c4c[nH+]3)CC2)cc1 ZINC001474603033 1074479716 /nfs/dbraw/zinc/47/97/16/1074479716.db2.gz BLORSZFKKIKRCA-UHFFFAOYSA-N 2 2 379.464 3.838 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000430219732 835232137 /nfs/dbraw/zinc/23/21/37/835232137.db2.gz PEOVZWXQHKGNQZ-IAGOWNOFSA-N 2 2 383.492 3.850 20 5 GHBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123363267 843163388 /nfs/dbraw/zinc/16/33/88/843163388.db2.gz QPCJTRDOJTWGDO-AWEZNQCLSA-N 2 2 396.919 3.629 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000595018571 858352230 /nfs/dbraw/zinc/35/22/30/858352230.db2.gz RYRGYEURHFFJPL-SJORKVTESA-N 2 2 399.491 3.675 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000595018571 858352238 /nfs/dbraw/zinc/35/22/38/858352238.db2.gz RYRGYEURHFFJPL-SJORKVTESA-N 2 2 399.491 3.675 20 5 GHBDLP C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611517945 859796822 /nfs/dbraw/zinc/79/68/22/859796822.db2.gz BFRMPAUKMFHEGA-DOTOQJQBSA-N 2 2 380.448 3.736 20 5 GHBDLP C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611517945 859796829 /nfs/dbraw/zinc/79/68/29/859796829.db2.gz BFRMPAUKMFHEGA-DOTOQJQBSA-N 2 2 380.448 3.736 20 5 GHBDLP CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029824 865906193 /nfs/dbraw/zinc/90/61/93/865906193.db2.gz LSJOSTPTKOGXTH-UHFFFAOYSA-N 2 2 395.463 3.729 20 5 GHBDLP CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029824 865906201 /nfs/dbraw/zinc/90/62/01/865906201.db2.gz LSJOSTPTKOGXTH-UHFFFAOYSA-N 2 2 395.463 3.729 20 5 GHBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001168974635 871072357 /nfs/dbraw/zinc/07/23/57/871072357.db2.gz RKRSPZPXYXUIOE-XMSQKQJNSA-N 2 2 379.504 3.743 20 5 GHBDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447515239 871733599 /nfs/dbraw/zinc/73/35/99/871733599.db2.gz JUMSJZRMFNJDDW-SLFFLAALSA-N 2 2 385.512 3.948 20 5 GHBDLP COc1ccc(-c2ccc(C[NH2+]CCCNc3cccc[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000540802154 872217756 /nfs/dbraw/zinc/21/77/56/872217756.db2.gz JLWJWTKMCALURS-UHFFFAOYSA-N 2 2 382.420 3.850 20 5 GHBDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000859213571 883666859 /nfs/dbraw/zinc/66/68/59/883666859.db2.gz XOXFZHPEHZSFQX-UHFFFAOYSA-N 2 2 380.448 3.943 20 5 GHBDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000859213571 883666875 /nfs/dbraw/zinc/66/68/75/883666875.db2.gz XOXFZHPEHZSFQX-UHFFFAOYSA-N 2 2 380.448 3.943 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000563459447 893755420 /nfs/dbraw/zinc/75/54/20/893755420.db2.gz YNCHNYJHVYBDSU-NRFANRHFSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000563459447 893755439 /nfs/dbraw/zinc/75/54/39/893755439.db2.gz YNCHNYJHVYBDSU-NRFANRHFSA-N 2 2 383.492 3.994 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246876482 834979457 /nfs/dbraw/zinc/97/94/57/834979457.db2.gz QGQYODRYPFXQNH-OGWOLHLISA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246876482 834979460 /nfs/dbraw/zinc/97/94/60/834979460.db2.gz QGQYODRYPFXQNH-OGWOLHLISA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246876482 834979462 /nfs/dbraw/zinc/97/94/62/834979462.db2.gz QGQYODRYPFXQNH-OGWOLHLISA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246876482 834979465 /nfs/dbraw/zinc/97/94/65/834979465.db2.gz QGQYODRYPFXQNH-OGWOLHLISA-N 2 2 397.479 3.655 20 5 GHBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000420928326 847547571 /nfs/dbraw/zinc/54/75/71/847547571.db2.gz CRHNHTYVZZOFLU-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000420928326 847547577 /nfs/dbraw/zinc/54/75/77/847547577.db2.gz CRHNHTYVZZOFLU-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(Nc4cccc[nH+]4)CC3)o2)c1 ZINC000536370023 855137374 /nfs/dbraw/zinc/13/73/74/855137374.db2.gz LJFCHPCTWNZRIZ-UHFFFAOYSA-N 2 2 393.447 3.764 20 5 GHBDLP COc1ccc(OCC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000173396789 856904267 /nfs/dbraw/zinc/90/42/67/856904267.db2.gz BQEGUBXKVZSBNY-UHFFFAOYSA-N 2 2 399.491 3.579 20 5 GHBDLP COc1ccc(OCC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000173396789 856904273 /nfs/dbraw/zinc/90/42/73/856904273.db2.gz BQEGUBXKVZSBNY-UHFFFAOYSA-N 2 2 399.491 3.579 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000595028200 858372346 /nfs/dbraw/zinc/37/23/46/858372346.db2.gz BKSOMDQHAWVILI-OAHLLOKOSA-N 2 2 399.495 3.702 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC001170354315 881392791 /nfs/dbraw/zinc/39/27/91/881392791.db2.gz IOKQRBXKHYNJDS-MRXNPFEDSA-N 2 2 380.448 3.852 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC001170354315 881392862 /nfs/dbraw/zinc/39/28/62/881392862.db2.gz IOKQRBXKHYNJDS-MRXNPFEDSA-N 2 2 380.448 3.852 20 5 GHBDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447592650 871901093 /nfs/dbraw/zinc/90/10/93/871901093.db2.gz MWFFUWOXWHHKLZ-PWRODBHTSA-N 2 2 397.523 3.775 20 5 GHBDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447592650 871901099 /nfs/dbraw/zinc/90/10/99/871901099.db2.gz MWFFUWOXWHHKLZ-PWRODBHTSA-N 2 2 397.523 3.775 20 5 GHBDLP C[C@]12C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001196960975 873498998 /nfs/dbraw/zinc/49/89/98/873498998.db2.gz GUJVIRUQIJBLSH-DHIUTWEWSA-N 2 2 395.503 3.818 20 5 GHBDLP CCOc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774428 877527295 /nfs/dbraw/zinc/52/72/95/877527295.db2.gz QUMJTSKXHVMUPA-FQEVSTJZSA-N 2 2 383.492 3.947 20 5 GHBDLP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774428 877527305 /nfs/dbraw/zinc/52/73/05/877527305.db2.gz QUMJTSKXHVMUPA-FQEVSTJZSA-N 2 2 383.492 3.947 20 5 GHBDLP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774428 877527316 /nfs/dbraw/zinc/52/73/16/877527316.db2.gz QUMJTSKXHVMUPA-FQEVSTJZSA-N 2 2 383.492 3.947 20 5 GHBDLP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774428 877527321 /nfs/dbraw/zinc/52/73/21/877527321.db2.gz QUMJTSKXHVMUPA-FQEVSTJZSA-N 2 2 383.492 3.947 20 5 GHBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537982426 878622341 /nfs/dbraw/zinc/62/23/41/878622341.db2.gz YJDMDDUSTGBFGR-AVRDEDQJSA-N 2 2 382.508 3.813 20 5 GHBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537982426 878622353 /nfs/dbraw/zinc/62/23/53/878622353.db2.gz YJDMDDUSTGBFGR-AVRDEDQJSA-N 2 2 382.508 3.813 20 5 GHBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000569892297 899009423 /nfs/dbraw/zinc/00/94/23/899009423.db2.gz KGNYRENZVHMGAH-MRXNPFEDSA-N 2 2 377.448 3.733 20 5 GHBDLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173214771 906330518 /nfs/dbraw/zinc/33/05/18/906330518.db2.gz PZFLLQGAAGHILJ-QGZVFWFLSA-N 2 2 383.492 3.789 20 5 GHBDLP Cc1nn(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc12 ZINC000799941292 933179710 /nfs/dbraw/zinc/17/97/10/933179710.db2.gz PWSRQKOISMGNRZ-INIZCTEOSA-N 2 2 394.479 3.623 20 5 GHBDLP Cc1nn(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc12 ZINC000799941292 933179715 /nfs/dbraw/zinc/17/97/15/933179715.db2.gz PWSRQKOISMGNRZ-INIZCTEOSA-N 2 2 394.479 3.623 20 5 GHBDLP [NH3+]Cc1ccc(-c2c[nH+]cn2C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001254472983 1040259625 /nfs/dbraw/zinc/25/96/25/1040259625.db2.gz XYLXXEZGKUHIPQ-UHFFFAOYSA-N 2 2 377.448 3.759 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549166325 839133531 /nfs/dbraw/zinc/13/35/31/839133531.db2.gz PGGQNYWHXXFPOY-OAQYLSRUSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549166325 839133536 /nfs/dbraw/zinc/13/35/36/839133536.db2.gz PGGQNYWHXXFPOY-OAQYLSRUSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611139 844606374 /nfs/dbraw/zinc/60/63/74/844606374.db2.gz WNPQTEALCPAPBS-PMACEKPBSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611139 844606385 /nfs/dbraw/zinc/60/63/85/844606385.db2.gz WNPQTEALCPAPBS-PMACEKPBSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611139 844606389 /nfs/dbraw/zinc/60/63/89/844606389.db2.gz WNPQTEALCPAPBS-PMACEKPBSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573611139 844606394 /nfs/dbraw/zinc/60/63/94/844606394.db2.gz WNPQTEALCPAPBS-PMACEKPBSA-N 2 2 381.476 3.557 20 5 GHBDLP Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302133989 861214099 /nfs/dbraw/zinc/21/40/99/861214099.db2.gz CRPUWVOFVVFYFJ-UHFFFAOYSA-N 2 2 392.459 3.896 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423380351 849892931 /nfs/dbraw/zinc/89/29/31/849892931.db2.gz YLMXHJKXCWNJMT-NRXGSXMXSA-N 2 2 375.419 3.539 20 5 GHBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793301 854825993 /nfs/dbraw/zinc/82/59/93/854825993.db2.gz YVDPVYPKTCQXAO-ARFHVFGLSA-N 2 2 387.505 3.837 20 5 GHBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793301 854825999 /nfs/dbraw/zinc/82/59/99/854825999.db2.gz YVDPVYPKTCQXAO-ARFHVFGLSA-N 2 2 387.505 3.837 20 5 GHBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000255585082 858045695 /nfs/dbraw/zinc/04/56/95/858045695.db2.gz YWEMWDZKMYWGCA-VURMDHGXSA-N 2 2 380.492 3.642 20 5 GHBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000255585082 858045704 /nfs/dbraw/zinc/04/57/04/858045704.db2.gz YWEMWDZKMYWGCA-VURMDHGXSA-N 2 2 380.492 3.642 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000595028199 858372497 /nfs/dbraw/zinc/37/24/97/858372497.db2.gz BKSOMDQHAWVILI-HNNXBMFYSA-N 2 2 399.495 3.702 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170307067 881384223 /nfs/dbraw/zinc/38/42/23/881384223.db2.gz DLAKGGJGJDMFPW-VGSWGCGISA-N 2 2 383.492 3.961 20 5 GHBDLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171475 859861799 /nfs/dbraw/zinc/86/17/99/859861799.db2.gz NKWYHVPMKDKERV-FCHUYYIVSA-N 2 2 383.492 3.663 20 5 GHBDLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484171475 859861807 /nfs/dbraw/zinc/86/18/07/859861807.db2.gz NKWYHVPMKDKERV-FCHUYYIVSA-N 2 2 383.492 3.663 20 5 GHBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)[nH+]c2)C1 ZINC000540757150 872071746 /nfs/dbraw/zinc/07/17/46/872071746.db2.gz ZQPZIOPFHLPIPF-PMACEKPBSA-N 2 2 395.507 3.563 20 5 GHBDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811483416 889633090 /nfs/dbraw/zinc/63/30/90/889633090.db2.gz JCBNXGLECMXVAS-UHFFFAOYSA-N 2 2 390.311 3.881 20 5 GHBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000872049307 891132018 /nfs/dbraw/zinc/13/20/18/891132018.db2.gz SJCPJVZBJPXNCR-KYNGSXCRSA-N 2 2 393.553 3.735 20 5 GHBDLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000303983841 915348958 /nfs/dbraw/zinc/34/89/58/915348958.db2.gz CGIVIENIJYDNKW-UHFFFAOYSA-N 2 2 378.270 3.708 20 5 GHBDLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000303983841 915348978 /nfs/dbraw/zinc/34/89/78/915348978.db2.gz CGIVIENIJYDNKW-UHFFFAOYSA-N 2 2 378.270 3.708 20 5 GHBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714395 836031984 /nfs/dbraw/zinc/03/19/84/836031984.db2.gz RENXJGNRIOIHHJ-PLMTUMEDSA-N 2 2 385.512 3.794 20 5 GHBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714395 836031989 /nfs/dbraw/zinc/03/19/89/836031989.db2.gz RENXJGNRIOIHHJ-PLMTUMEDSA-N 2 2 385.512 3.794 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714395 836032005 /nfs/dbraw/zinc/03/20/05/836032005.db2.gz RENXJGNRIOIHHJ-PLMTUMEDSA-N 2 2 385.512 3.794 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000364714395 836032012 /nfs/dbraw/zinc/03/20/12/836032012.db2.gz RENXJGNRIOIHHJ-PLMTUMEDSA-N 2 2 385.512 3.794 20 5 GHBDLP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])cc1F ZINC000278790804 836043686 /nfs/dbraw/zinc/04/36/86/836043686.db2.gz DWOTWBOSQYGLBJ-UHFFFAOYSA-N 2 2 388.443 3.655 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180577482 837359485 /nfs/dbraw/zinc/35/94/85/837359485.db2.gz OKGATEAJHWSIEA-WZONZLPQSA-N 2 2 395.503 3.775 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423380349 849893256 /nfs/dbraw/zinc/89/32/56/849893256.db2.gz YLMXHJKXCWNJMT-ACWOFJMJSA-N 2 2 375.419 3.539 20 5 GHBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000435434200 850492977 /nfs/dbraw/zinc/49/29/77/850492977.db2.gz WLRKRHVTQAPNEE-GOSISDBHSA-N 2 2 375.469 3.940 20 5 GHBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000435434200 850492981 /nfs/dbraw/zinc/49/29/81/850492981.db2.gz WLRKRHVTQAPNEE-GOSISDBHSA-N 2 2 375.469 3.940 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425975944 852216980 /nfs/dbraw/zinc/21/69/80/852216980.db2.gz PBHBQPSOINODKX-PGRDOPGGSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425975944 852216993 /nfs/dbraw/zinc/21/69/93/852216993.db2.gz PBHBQPSOINODKX-PGRDOPGGSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425975944 852217007 /nfs/dbraw/zinc/21/70/07/852217007.db2.gz PBHBQPSOINODKX-PGRDOPGGSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425975944 852217019 /nfs/dbraw/zinc/21/70/19/852217019.db2.gz PBHBQPSOINODKX-PGRDOPGGSA-N 2 2 383.492 3.533 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000516688531 852889157 /nfs/dbraw/zinc/88/91/57/852889157.db2.gz HJAMGRVJEMAEFC-AZUAARDMSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000516688531 852889162 /nfs/dbraw/zinc/88/91/62/852889162.db2.gz HJAMGRVJEMAEFC-AZUAARDMSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000516688531 852889166 /nfs/dbraw/zinc/88/91/66/852889166.db2.gz HJAMGRVJEMAEFC-AZUAARDMSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000516688531 852889170 /nfs/dbraw/zinc/88/91/70/852889170.db2.gz HJAMGRVJEMAEFC-AZUAARDMSA-N 2 2 381.476 3.557 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cs2)c1 ZINC000113322007 857428916 /nfs/dbraw/zinc/42/89/16/857428916.db2.gz GTUXCYLKLRVMJY-UHFFFAOYSA-N 2 2 395.488 3.872 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000595102736 858405560 /nfs/dbraw/zinc/40/55/60/858405560.db2.gz LNMIMKBCFHKTRV-YADHBBJMSA-N 2 2 381.476 3.527 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cs2)c1 ZINC000596058713 858760548 /nfs/dbraw/zinc/76/05/48/858760548.db2.gz IFDBPZIMHKJYOM-MRXNPFEDSA-N 2 2 386.521 3.930 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cs2)c1 ZINC000596058713 858760552 /nfs/dbraw/zinc/76/05/52/858760552.db2.gz IFDBPZIMHKJYOM-MRXNPFEDSA-N 2 2 386.521 3.930 20 5 GHBDLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160862 859854757 /nfs/dbraw/zinc/85/47/57/859854757.db2.gz MQFIUKCNSKKSNX-BVSLBCMMSA-N 2 2 383.492 3.519 20 5 GHBDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160862 859854765 /nfs/dbraw/zinc/85/47/65/859854765.db2.gz MQFIUKCNSKKSNX-BVSLBCMMSA-N 2 2 383.492 3.519 20 5 GHBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878289 881766006 /nfs/dbraw/zinc/76/60/06/881766006.db2.gz UKERFLCFQRIZFI-KXBFYZLASA-N 2 2 384.436 3.503 20 5 GHBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878289 881766021 /nfs/dbraw/zinc/76/60/21/881766021.db2.gz UKERFLCFQRIZFI-KXBFYZLASA-N 2 2 384.436 3.503 20 5 GHBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495438012 885806749 /nfs/dbraw/zinc/80/67/49/885806749.db2.gz FTWZBSFZSVSXLI-HNAYVOBHSA-N 2 2 388.899 3.686 20 5 GHBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495438012 885806760 /nfs/dbraw/zinc/80/67/60/885806760.db2.gz FTWZBSFZSVSXLI-HNAYVOBHSA-N 2 2 388.899 3.686 20 5 GHBDLP CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000807980560 885905217 /nfs/dbraw/zinc/90/52/17/885905217.db2.gz VFYZSEHUBDPBRS-UHFFFAOYSA-N 2 2 386.500 3.641 20 5 GHBDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809951901 888017376 /nfs/dbraw/zinc/01/73/76/888017376.db2.gz QLLORPVBGLPFGV-OAHLLOKOSA-N 2 2 390.311 3.834 20 5 GHBDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809951901 888017386 /nfs/dbraw/zinc/01/73/86/888017386.db2.gz QLLORPVBGLPFGV-OAHLLOKOSA-N 2 2 390.311 3.834 20 5 GHBDLP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402870 894939656 /nfs/dbraw/zinc/93/96/56/894939656.db2.gz ARZWGORQSKLDMK-UXHICEINSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402870 894939662 /nfs/dbraw/zinc/93/96/62/894939662.db2.gz ARZWGORQSKLDMK-UXHICEINSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402870 894939669 /nfs/dbraw/zinc/93/96/69/894939669.db2.gz ARZWGORQSKLDMK-UXHICEINSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000564402870 894939679 /nfs/dbraw/zinc/93/96/79/894939679.db2.gz ARZWGORQSKLDMK-UXHICEINSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c[nH+]cc2-c2ccc(C[NH3+])cc2)c1F ZINC001173179290 906258584 /nfs/dbraw/zinc/25/85/84/906258584.db2.gz LRELZVHCZSMICR-ZDUSSCGKSA-N 2 2 384.411 3.868 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001173192862 906274808 /nfs/dbraw/zinc/27/48/08/906274808.db2.gz NCRWRXKIIGSDAT-HNNXBMFYSA-N 2 2 398.438 3.991 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001173192862 906274821 /nfs/dbraw/zinc/27/48/21/906274821.db2.gz NCRWRXKIIGSDAT-HNNXBMFYSA-N 2 2 398.438 3.991 20 5 GHBDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225342 906307939 /nfs/dbraw/zinc/30/79/39/906307939.db2.gz JJCWZJXUPXFFDW-DLBZAZTESA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225342 906307948 /nfs/dbraw/zinc/30/79/48/906307948.db2.gz JJCWZJXUPXFFDW-DLBZAZTESA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225342 906307960 /nfs/dbraw/zinc/30/79/60/906307960.db2.gz JJCWZJXUPXFFDW-DLBZAZTESA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225342 906307971 /nfs/dbraw/zinc/30/79/71/906307971.db2.gz JJCWZJXUPXFFDW-DLBZAZTESA-N 2 2 385.512 3.639 20 5 GHBDLP COc1cc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903103556 922775722 /nfs/dbraw/zinc/77/57/22/922775722.db2.gz JVGCXIFIWLOWFD-QRWLVFNGSA-N 2 2 380.448 3.972 20 5 GHBDLP C[NH+]1CCC([NH+]2CCC(Nc3cccc(C(F)(F)F)c3[N+](=O)[O-])CC2)CC1 ZINC001162333157 1025716913 /nfs/dbraw/zinc/71/69/13/1025716913.db2.gz BPYGLPGNKLNEQY-UHFFFAOYSA-N 2 2 386.418 3.584 20 5 GHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000841036079 1028060037 /nfs/dbraw/zinc/06/00/37/1028060037.db2.gz JUKODKIGNBQKSX-JOCHJYFZSA-N 2 2 382.508 3.977 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc2c[nH+]cn2c1 ZINC001152203195 1031145117 /nfs/dbraw/zinc/14/51/17/1031145117.db2.gz HAMQSJPEGSSNRT-UHFFFAOYSA-N 2 2 397.438 3.591 20 5 GHBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1C[NH2+]C[C@@H](F)C1 ZINC001219207240 1031305590 /nfs/dbraw/zinc/30/55/90/1031305590.db2.gz CHVWKQZTILUWCJ-SJORKVTESA-N 2 2 380.467 3.649 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1)C2 ZINC001246956388 1037769810 /nfs/dbraw/zinc/76/98/10/1037769810.db2.gz SFXLIHLUPUEFNU-HXUWFJFHSA-N 2 2 387.430 3.594 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1)C2 ZINC001246956388 1037769837 /nfs/dbraw/zinc/76/98/37/1037769837.db2.gz SFXLIHLUPUEFNU-HXUWFJFHSA-N 2 2 387.430 3.594 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001474233840 1074302671 /nfs/dbraw/zinc/30/26/71/1074302671.db2.gz GHMHUYAFDJPVEE-PXNSSMCTSA-N 2 2 383.492 3.851 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001474233840 1074302678 /nfs/dbraw/zinc/30/26/78/1074302678.db2.gz GHMHUYAFDJPVEE-PXNSSMCTSA-N 2 2 383.492 3.851 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000595102731 858405582 /nfs/dbraw/zinc/40/55/82/858405582.db2.gz LNMIMKBCFHKTRV-FCHUYYIVSA-N 2 2 381.476 3.527 20 5 GHBDLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000479883686 868676959 /nfs/dbraw/zinc/67/69/59/868676959.db2.gz FVPUYQBJIPDOAA-HOTGVXAUSA-N 2 2 387.455 3.633 20 5 GHBDLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584282 870466289 /nfs/dbraw/zinc/46/62/89/870466289.db2.gz BMTRUIMWFMKHML-FGZHOGPDSA-N 2 2 383.492 3.927 20 5 GHBDLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584282 870466294 /nfs/dbraw/zinc/46/62/94/870466294.db2.gz BMTRUIMWFMKHML-FGZHOGPDSA-N 2 2 383.492 3.927 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449132084 874516946 /nfs/dbraw/zinc/51/69/46/874516946.db2.gz RPWCBPRITDNGKM-KRWDZBQOSA-N 2 2 383.492 3.789 20 5 GHBDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000776592469 878304003 /nfs/dbraw/zinc/30/40/03/878304003.db2.gz OTUMDSKKGMMHOH-YHYVQYDKSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000776592469 878304019 /nfs/dbraw/zinc/30/40/19/878304019.db2.gz OTUMDSKKGMMHOH-YHYVQYDKSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1Cc1ccccc1 ZINC000776592469 878304035 /nfs/dbraw/zinc/30/40/35/878304035.db2.gz OTUMDSKKGMMHOH-YHYVQYDKSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1Cc1ccccc1 ZINC000776592469 878304053 /nfs/dbraw/zinc/30/40/53/878304053.db2.gz OTUMDSKKGMMHOH-YHYVQYDKSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123439261 890600304 /nfs/dbraw/zinc/60/03/04/890600304.db2.gz CJBQOEQIEQGMON-CQSZACIVSA-N 2 2 396.919 3.629 20 5 GHBDLP C[C@H]([NH2+]C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1)c1ccccc1 ZINC000877045408 893456697 /nfs/dbraw/zinc/45/66/97/893456697.db2.gz BUYGUBZTENBAKF-IVMQYODDSA-N 2 2 383.496 3.748 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570847847 899638030 /nfs/dbraw/zinc/63/80/30/899638030.db2.gz BVDCGWOIHMXBFV-IIBYNOLFSA-N 2 2 393.491 3.514 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570847847 899638040 /nfs/dbraw/zinc/63/80/40/899638040.db2.gz BVDCGWOIHMXBFV-IIBYNOLFSA-N 2 2 393.491 3.514 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC([NH3+])(CC3CCC3)CC2)c1F ZINC001173179087 906256713 /nfs/dbraw/zinc/25/67/13/906256713.db2.gz KAJNXOIINHJFLX-AWEZNQCLSA-N 2 2 379.476 3.657 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c[nH+]cc2-c2ccc(C[NH3+])cc2)c1F ZINC001173179289 906258521 /nfs/dbraw/zinc/25/85/21/906258521.db2.gz LRELZVHCZSMICR-CYBMUJFWSA-N 2 2 384.411 3.868 20 5 GHBDLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000903126953 922794318 /nfs/dbraw/zinc/79/43/18/922794318.db2.gz GAMOMACEJAPVGI-HZPDHXFCSA-N 2 2 384.480 3.875 20 5 GHBDLP C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001322363130 1056651737 /nfs/dbraw/zinc/65/17/37/1056651737.db2.gz JAPKZJTWERRXNI-HNNXBMFYSA-N 2 2 396.451 3.666 20 5 GHBDLP O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000848483872 1057120118 /nfs/dbraw/zinc/12/01/18/1057120118.db2.gz TXJFVWSTQUOUFA-UHFFFAOYSA-N 2 2 394.479 3.805 20 5 GHBDLP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH+]c1C ZINC001473801787 1074148400 /nfs/dbraw/zinc/14/84/00/1074148400.db2.gz HZLICURHJQTIBC-AWEZNQCLSA-N 2 2 396.451 3.925 20 5 GHBDLP C[C@H](CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC001474437076 1074406072 /nfs/dbraw/zinc/40/60/72/1074406072.db2.gz TVJYDKLHRPJZAM-LLVKDONJSA-N 2 2 376.320 3.773 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246876510 834979129 /nfs/dbraw/zinc/97/91/29/834979129.db2.gz QGQYODRYPFXQNH-SIXWZSSISA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246876510 834979142 /nfs/dbraw/zinc/97/91/42/834979142.db2.gz QGQYODRYPFXQNH-SIXWZSSISA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246876510 834979156 /nfs/dbraw/zinc/97/91/56/834979156.db2.gz QGQYODRYPFXQNH-SIXWZSSISA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246876510 834979164 /nfs/dbraw/zinc/97/91/64/834979164.db2.gz QGQYODRYPFXQNH-SIXWZSSISA-N 2 2 397.479 3.655 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc(C(F)(F)F)c1 ZINC000365503706 837131333 /nfs/dbraw/zinc/13/13/33/837131333.db2.gz FOAAPLNJOMIWNU-UHFFFAOYSA-N 2 2 380.370 3.767 20 5 GHBDLP Cc1ccc(C(C)C)c(Oc2ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc2[N+](=O)[O-])c1 ZINC000415065415 839141828 /nfs/dbraw/zinc/14/18/28/839141828.db2.gz GGIWHGXUPUGPKS-QGZVFWFLSA-N 2 2 387.480 3.570 20 5 GHBDLP Cc1ccc(C(C)C)c(Oc2ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc2[N+](=O)[O-])c1 ZINC000415065415 839141837 /nfs/dbraw/zinc/14/18/37/839141837.db2.gz GGIWHGXUPUGPKS-QGZVFWFLSA-N 2 2 387.480 3.570 20 5 GHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430956285 843252275 /nfs/dbraw/zinc/25/22/75/843252275.db2.gz NYKZDSUSZVZRQI-SFHVURJKSA-N 3 2 388.556 3.784 20 5 GHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430956285 843252286 /nfs/dbraw/zinc/25/22/86/843252286.db2.gz NYKZDSUSZVZRQI-SFHVURJKSA-N 3 2 388.556 3.784 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000132130546 861916873 /nfs/dbraw/zinc/91/68/73/861916873.db2.gz KRLCCGNWEJLHHC-OAQYLSRUSA-N 2 2 390.487 3.993 20 5 GHBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506051611 853158690 /nfs/dbraw/zinc/15/86/90/853158690.db2.gz MYUQIHTXARDKHI-UHFFFAOYSA-N 2 2 381.904 3.573 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170343404 881466009 /nfs/dbraw/zinc/46/60/09/881466009.db2.gz YZVWHISOXPESNA-QGZVFWFLSA-N 2 2 387.524 3.875 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170343404 881466027 /nfs/dbraw/zinc/46/60/27/881466027.db2.gz YZVWHISOXPESNA-QGZVFWFLSA-N 2 2 387.524 3.875 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1Oc1ccc(F)cc1 ZINC000494403986 881678610 /nfs/dbraw/zinc/67/86/10/881678610.db2.gz JDSXDUHMIYXIST-MRXNPFEDSA-N 2 2 382.395 3.827 20 5 GHBDLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409217 868186345 /nfs/dbraw/zinc/18/63/45/868186345.db2.gz SNDYFJPSXCCDLW-IBGZPJMESA-N 2 2 393.491 3.746 20 5 GHBDLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409217 868186362 /nfs/dbraw/zinc/18/63/62/868186362.db2.gz SNDYFJPSXCCDLW-IBGZPJMESA-N 2 2 393.491 3.746 20 5 GHBDLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409217 868186383 /nfs/dbraw/zinc/18/63/83/868186383.db2.gz SNDYFJPSXCCDLW-IBGZPJMESA-N 2 2 393.491 3.746 20 5 GHBDLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409217 868186397 /nfs/dbraw/zinc/18/63/97/868186397.db2.gz SNDYFJPSXCCDLW-IBGZPJMESA-N 2 2 393.491 3.746 20 5 GHBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)[nH+]c2)C1 ZINC000540757151 872071323 /nfs/dbraw/zinc/07/13/23/872071323.db2.gz ZQPZIOPFHLPIPF-UXHICEINSA-N 2 2 395.507 3.563 20 5 GHBDLP Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000742391479 872911309 /nfs/dbraw/zinc/91/13/09/872911309.db2.gz JTOZWZURNGBINS-UHFFFAOYSA-N 2 2 388.899 3.598 20 5 GHBDLP CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810088 874532074 /nfs/dbraw/zinc/53/20/74/874532074.db2.gz OLVRVPJGTJFSLF-UHFFFAOYSA-N 2 2 398.507 3.997 20 5 GHBDLP CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810088 874532084 /nfs/dbraw/zinc/53/20/84/874532084.db2.gz OLVRVPJGTJFSLF-UHFFFAOYSA-N 2 2 398.507 3.997 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000776586213 878231370 /nfs/dbraw/zinc/23/13/70/878231370.db2.gz KTGRXOIUYSGXKI-MDNUFGMLSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000776586213 878231382 /nfs/dbraw/zinc/23/13/82/878231382.db2.gz KTGRXOIUYSGXKI-MDNUFGMLSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000776586213 878231397 /nfs/dbraw/zinc/23/13/97/878231397.db2.gz KTGRXOIUYSGXKI-MDNUFGMLSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000776586213 878231412 /nfs/dbraw/zinc/23/14/12/878231412.db2.gz KTGRXOIUYSGXKI-MDNUFGMLSA-N 2 2 395.503 3.615 20 5 GHBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C(F)(F)F ZINC000600777563 902900286 /nfs/dbraw/zinc/90/02/86/902900286.db2.gz UZQCRLWYORRQGY-XJKSGUPXSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C(F)(F)F ZINC000600777563 902900293 /nfs/dbraw/zinc/90/02/93/902900293.db2.gz UZQCRLWYORRQGY-XJKSGUPXSA-N 2 2 383.370 3.814 20 5 GHBDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H](C)O1 ZINC000558942204 1017318176 /nfs/dbraw/zinc/31/81/76/1017318176.db2.gz UYOHZKGDPAXTDP-HZPDHXFCSA-N 2 2 389.521 3.912 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000562099974 1018038949 /nfs/dbraw/zinc/03/89/49/1018038949.db2.gz KKGQNQFCEBVNGQ-OAQYLSRUSA-N 2 2 376.460 3.951 20 5 GHBDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607725 1040378898 /nfs/dbraw/zinc/37/88/98/1040378898.db2.gz MPSDQDWQPOWAFW-OAQYLSRUSA-N 2 2 383.467 3.798 20 5 GHBDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607725 1040378913 /nfs/dbraw/zinc/37/89/13/1040378913.db2.gz MPSDQDWQPOWAFW-OAQYLSRUSA-N 2 2 383.467 3.798 20 5 GHBDLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000092072731 836899758 /nfs/dbraw/zinc/89/97/58/836899758.db2.gz MVAAEUBGUNTDFD-AWEZNQCLSA-N 2 2 382.420 3.966 20 5 GHBDLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000092072731 836899773 /nfs/dbraw/zinc/89/97/73/836899773.db2.gz MVAAEUBGUNTDFD-AWEZNQCLSA-N 2 2 382.420 3.966 20 5 GHBDLP COCC[NH+]1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000604441950 862208388 /nfs/dbraw/zinc/20/83/88/862208388.db2.gz ACJIPESGMSIKTJ-UHFFFAOYSA-N 2 2 398.507 3.563 20 5 GHBDLP COc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397865 854181624 /nfs/dbraw/zinc/18/16/24/854181624.db2.gz RJCMYHOPULFRBJ-MSOLQXFVSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397865 854181628 /nfs/dbraw/zinc/18/16/28/854181628.db2.gz RJCMYHOPULFRBJ-MSOLQXFVSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397865 854181629 /nfs/dbraw/zinc/18/16/29/854181629.db2.gz RJCMYHOPULFRBJ-MSOLQXFVSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000441397865 854181635 /nfs/dbraw/zinc/18/16/35/854181635.db2.gz RJCMYHOPULFRBJ-MSOLQXFVSA-N 2 2 391.512 3.569 20 5 GHBDLP COc1ccc(C[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170307064 881381950 /nfs/dbraw/zinc/38/19/50/881381950.db2.gz DLAKGGJGJDMFPW-HTAPYJJXSA-N 2 2 383.492 3.961 20 5 GHBDLP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000152639420 882050160 /nfs/dbraw/zinc/05/01/60/882050160.db2.gz SMBDAOZVLYQSBA-KRWDZBQOSA-N 2 2 399.491 3.677 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000152093673 868264899 /nfs/dbraw/zinc/26/48/99/868264899.db2.gz OQFKXKIDBDPJHG-OAQYLSRUSA-N 2 2 376.460 3.951 20 5 GHBDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615796103 878118835 /nfs/dbraw/zinc/11/88/35/878118835.db2.gz QCTNHYFDLBHQSB-HOTGVXAUSA-N 2 2 394.475 3.982 20 5 GHBDLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815621676 894054554 /nfs/dbraw/zinc/05/45/54/894054554.db2.gz AGGDGHQNPKVGPJ-QGLTVNCISA-N 2 2 386.418 3.633 20 5 GHBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000106212308 898261549 /nfs/dbraw/zinc/26/15/49/898261549.db2.gz DBKFKHAVTAZRED-GOSISDBHSA-N 2 2 395.463 3.888 20 5 GHBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000106212308 898261563 /nfs/dbraw/zinc/26/15/63/898261563.db2.gz DBKFKHAVTAZRED-GOSISDBHSA-N 2 2 395.463 3.888 20 5 GHBDLP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1[N+](=O)[O-] ZINC000153076334 904328141 /nfs/dbraw/zinc/32/81/41/904328141.db2.gz BHHDOTHAWVLBQT-AWEZNQCLSA-N 2 2 381.436 3.733 20 5 GHBDLP Cc1nn(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000782942789 931370590 /nfs/dbraw/zinc/37/05/90/931370590.db2.gz JSSWDENNNLRLML-UHFFFAOYSA-N 2 2 382.468 3.599 20 5 GHBDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc([N+](=O)[O-])c(Cl)c3)[nH+]c2)CC1 ZINC000783649346 931607096 /nfs/dbraw/zinc/60/70/96/931607096.db2.gz APRLEIWGSRQXDQ-UHFFFAOYSA-N 2 2 389.887 3.786 20 5 GHBDLP Cc1nn(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccc([N+](=O)[O-])cc12 ZINC000799943194 933182028 /nfs/dbraw/zinc/18/20/28/933182028.db2.gz QQQZOWBEJVAQAW-INIZCTEOSA-N 2 2 394.479 3.623 20 5 GHBDLP Cc1nn(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccc([N+](=O)[O-])cc12 ZINC000799943194 933182045 /nfs/dbraw/zinc/18/20/45/933182045.db2.gz QQQZOWBEJVAQAW-INIZCTEOSA-N 2 2 394.479 3.623 20 5 GHBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228703 1069452068 /nfs/dbraw/zinc/45/20/68/1069452068.db2.gz DWLLITWGRBJELT-DJJJIMSYSA-N 2 2 391.493 3.543 20 5 GHBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1O ZINC001461228703 1069452073 /nfs/dbraw/zinc/45/20/73/1069452073.db2.gz DWLLITWGRBJELT-DJJJIMSYSA-N 2 2 391.493 3.543 20 5 GHBDLP CCc1ccc([C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[NH+](CC)CC)cc1 ZINC001474552171 1074460085 /nfs/dbraw/zinc/46/00/85/1074460085.db2.gz BITGAPSEVXLPAP-GRERDSQWSA-N 2 2 385.512 3.730 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1Oc1ccccc1Cl ZINC000415044618 839124485 /nfs/dbraw/zinc/12/44/85/839124485.db2.gz SLKNDICAIRYBGN-OAHLLOKOSA-N 2 2 391.855 3.509 20 5 GHBDLP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000538724070 845585120 /nfs/dbraw/zinc/58/51/20/845585120.db2.gz QDJHHCHYORESEF-UHFFFAOYSA-N 3 2 388.556 3.531 20 5 GHBDLP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000538724070 845585133 /nfs/dbraw/zinc/58/51/33/845585133.db2.gz QDJHHCHYORESEF-UHFFFAOYSA-N 3 2 388.556 3.531 20 5 GHBDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC[NH2+]1 ZINC000423414561 849915701 /nfs/dbraw/zinc/91/57/01/849915701.db2.gz CHZCGFJOKCILRB-AUUYWEPGSA-N 2 2 375.494 3.743 20 5 GHBDLP C[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000507945092 856728418 /nfs/dbraw/zinc/72/84/18/856728418.db2.gz KAGVOZXSWXLUGA-QGZVFWFLSA-N 2 2 379.464 3.985 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689944 867069397 /nfs/dbraw/zinc/06/93/97/867069397.db2.gz PRXQRRRPXUGASZ-BRLLKYFNSA-N 2 2 393.491 3.717 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689944 867069416 /nfs/dbraw/zinc/06/94/16/867069416.db2.gz PRXQRRRPXUGASZ-BRLLKYFNSA-N 2 2 393.491 3.717 20 5 GHBDLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000446838884 870560086 /nfs/dbraw/zinc/56/00/86/870560086.db2.gz NBWXLIBJDCJVBO-DOTOQJQBSA-N 2 2 379.464 3.614 20 5 GHBDLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000446838884 870560103 /nfs/dbraw/zinc/56/01/03/870560103.db2.gz NBWXLIBJDCJVBO-DOTOQJQBSA-N 2 2 379.464 3.614 20 5 GHBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ccc3ccc(Br)cc3c2c1 ZINC001169076713 871127916 /nfs/dbraw/zinc/12/79/16/871127916.db2.gz VPHQFIYALWNIQR-MRXNPFEDSA-N 2 2 396.288 3.803 20 5 GHBDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008116 906083518 /nfs/dbraw/zinc/08/35/18/906083518.db2.gz MXUSMNMEKHBEAB-HNNXBMFYSA-N 2 2 396.482 3.552 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC([NH3+])(c3ccccc3)CC2)c1F ZINC001173180566 906259215 /nfs/dbraw/zinc/25/92/15/906259215.db2.gz SDJFXSQUOYOBTR-HNNXBMFYSA-N 2 2 387.455 3.624 20 5 GHBDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606823 1040378420 /nfs/dbraw/zinc/37/84/20/1040378420.db2.gz HYFIOUMPMAUBEZ-JOCHJYFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606823 1040378432 /nfs/dbraw/zinc/37/84/32/1040378432.db2.gz HYFIOUMPMAUBEZ-JOCHJYFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606824 1040378764 /nfs/dbraw/zinc/37/87/64/1040378764.db2.gz HYFIOUMPMAUBEZ-QFIPXVFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606824 1040378769 /nfs/dbraw/zinc/37/87/69/1040378769.db2.gz HYFIOUMPMAUBEZ-QFIPXVFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423380350 849893346 /nfs/dbraw/zinc/89/33/46/849893346.db2.gz YLMXHJKXCWNJMT-AZOIQLNYSA-N 2 2 375.419 3.539 20 5 GHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440645 850529290 /nfs/dbraw/zinc/52/92/90/850529290.db2.gz YMZMEXSEWXQKPI-LKIHTYOGSA-N 2 2 384.505 3.709 20 5 GHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440645 850529300 /nfs/dbraw/zinc/52/93/00/850529300.db2.gz YMZMEXSEWXQKPI-LKIHTYOGSA-N 2 2 384.505 3.709 20 5 GHBDLP C[NH+](C)C1CCN(c2ccc(NCc3cc([N+](=O)[O-])ccc3Cl)[nH+]c2)CC1 ZINC000769408944 874028173 /nfs/dbraw/zinc/02/81/73/874028173.db2.gz ABVYDTMUABUFRO-UHFFFAOYSA-N 2 2 389.887 3.786 20 5 GHBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000872049308 891132195 /nfs/dbraw/zinc/13/21/95/891132195.db2.gz SJCPJVZBJPXNCR-ZOCIIQOWSA-N 2 2 393.553 3.735 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)o2)c1 ZINC000104681757 898155162 /nfs/dbraw/zinc/15/51/62/898155162.db2.gz NBYZWZJGSISYCM-INIZCTEOSA-N 2 2 393.447 3.621 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)o2)c1 ZINC000104681757 898155164 /nfs/dbraw/zinc/15/51/64/898155164.db2.gz NBYZWZJGSISYCM-INIZCTEOSA-N 2 2 393.447 3.621 20 5 GHBDLP CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000177174296 906056107 /nfs/dbraw/zinc/05/61/07/906056107.db2.gz YUIVWNCYLSVJBU-UHFFFAOYSA-N 2 2 395.463 3.870 20 5 GHBDLP CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000177174296 906056110 /nfs/dbraw/zinc/05/61/10/906056110.db2.gz YUIVWNCYLSVJBU-UHFFFAOYSA-N 2 2 395.463 3.870 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC([NH3+])(CC3CCC3)CC2)c1F ZINC001173179088 906256499 /nfs/dbraw/zinc/25/64/99/906256499.db2.gz KAJNXOIINHJFLX-CQSZACIVSA-N 2 2 379.476 3.657 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cccc2c[nH+]cn21 ZINC001155798486 1032712115 /nfs/dbraw/zinc/71/21/15/1032712115.db2.gz IGUPMSKYIFJQHU-UHFFFAOYSA-N 2 2 397.438 3.591 20 5 GHBDLP [NH3+][C@H]1C[C@H](O)C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958477 1033183396 /nfs/dbraw/zinc/18/33/96/1033183396.db2.gz WPBHQQSSRPJEPP-GJZGRUSLSA-N 2 2 384.483 3.850 20 5 GHBDLP [NH3+][C@H]1C[C@H](O)C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958477 1033183402 /nfs/dbraw/zinc/18/34/02/1033183402.db2.gz WPBHQQSSRPJEPP-GJZGRUSLSA-N 2 2 384.483 3.850 20 5 GHBDLP COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246924521 1037729050 /nfs/dbraw/zinc/72/90/50/1037729050.db2.gz MYHOAQPNDIHYJJ-PXNSSMCTSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246924521 1037729072 /nfs/dbraw/zinc/72/90/72/1037729072.db2.gz MYHOAQPNDIHYJJ-PXNSSMCTSA-N 2 2 383.492 3.789 20 5 GHBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001254539914 1040309824 /nfs/dbraw/zinc/30/98/24/1040309824.db2.gz LVRDVYYJTUCMES-WBMJQRKESA-N 2 2 378.270 3.578 20 5 GHBDLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001459824824 1064233953 /nfs/dbraw/zinc/23/39/53/1064233953.db2.gz MLVJCOIVUIPKNA-LJQANCHMSA-N 2 2 382.508 3.766 20 5 GHBDLP COc1c(O)ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001474755851 1074547281 /nfs/dbraw/zinc/54/72/81/1074547281.db2.gz VSIAWUUJGCQMCA-CQSZACIVSA-N 2 2 388.468 3.640 20 5 GHBDLP COc1c(O)ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001474755851 1074547286 /nfs/dbraw/zinc/54/72/86/1074547286.db2.gz VSIAWUUJGCQMCA-CQSZACIVSA-N 2 2 388.468 3.640 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072318 837456984 /nfs/dbraw/zinc/45/69/84/837456984.db2.gz ZGMVMKRXNICPFY-LJQANCHMSA-N 2 2 381.476 3.890 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072318 837456990 /nfs/dbraw/zinc/45/69/90/837456990.db2.gz ZGMVMKRXNICPFY-LJQANCHMSA-N 2 2 381.476 3.890 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000548931736 836242680 /nfs/dbraw/zinc/24/26/80/836242680.db2.gz ZFESLDDJTVGBIN-OAQYLSRUSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000548931736 836242687 /nfs/dbraw/zinc/24/26/87/836242687.db2.gz ZFESLDDJTVGBIN-OAQYLSRUSA-N 2 2 383.492 3.994 20 5 GHBDLP C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185700628 861209901 /nfs/dbraw/zinc/20/99/01/861209901.db2.gz FRHZGIPVTBBZHR-NVXWUHKLSA-N 2 2 384.480 3.992 20 5 GHBDLP C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700628 861209914 /nfs/dbraw/zinc/20/99/14/861209914.db2.gz FRHZGIPVTBBZHR-NVXWUHKLSA-N 2 2 384.480 3.992 20 5 GHBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000573741774 844669233 /nfs/dbraw/zinc/66/92/33/844669233.db2.gz LZCAKVANGJBGSF-MQBCKMQZSA-N 2 2 383.414 3.977 20 5 GHBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000424369982 850410645 /nfs/dbraw/zinc/41/06/45/850410645.db2.gz SCJRVVRESCOXOJ-HZPDHXFCSA-N 2 2 394.269 3.977 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425975945 852216575 /nfs/dbraw/zinc/21/65/75/852216575.db2.gz PBHBQPSOINODKX-XMSQKQJNSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425975945 852216581 /nfs/dbraw/zinc/21/65/81/852216581.db2.gz PBHBQPSOINODKX-XMSQKQJNSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425975945 852216587 /nfs/dbraw/zinc/21/65/87/852216587.db2.gz PBHBQPSOINODKX-XMSQKQJNSA-N 2 2 383.492 3.533 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425975945 852216592 /nfs/dbraw/zinc/21/65/92/852216592.db2.gz PBHBQPSOINODKX-XMSQKQJNSA-N 2 2 383.492 3.533 20 5 GHBDLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000116396662 858958751 /nfs/dbraw/zinc/95/87/51/858958751.db2.gz LEORBUBMLRLQPT-LRDDRELGSA-N 2 2 384.908 3.531 20 5 GHBDLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000446838886 870558881 /nfs/dbraw/zinc/55/88/81/870558881.db2.gz NBWXLIBJDCJVBO-RDJZCZTQSA-N 2 2 379.464 3.614 20 5 GHBDLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000446838886 870558897 /nfs/dbraw/zinc/55/88/97/870558897.db2.gz NBWXLIBJDCJVBO-RDJZCZTQSA-N 2 2 379.464 3.614 20 5 GHBDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447592648 871900315 /nfs/dbraw/zinc/90/03/15/871900315.db2.gz MWFFUWOXWHHKLZ-NJDAHSKKSA-N 2 2 397.523 3.775 20 5 GHBDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447592648 871900332 /nfs/dbraw/zinc/90/03/32/871900332.db2.gz MWFFUWOXWHHKLZ-NJDAHSKKSA-N 2 2 397.523 3.775 20 5 GHBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)[nH+]c2)C1 ZINC000447603887 871967044 /nfs/dbraw/zinc/96/70/44/871967044.db2.gz ZFEWTRQFPOHJBF-UYAOXDASSA-N 2 2 381.480 3.620 20 5 GHBDLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000819066073 896383755 /nfs/dbraw/zinc/38/37/55/896383755.db2.gz SUUPAYIFEAIDPE-LAUBAEHRSA-N 2 2 383.492 3.881 20 5 GHBDLP Cc1ccc(Sc2ccc(C[NH2+]CC3([NH3+])CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000600772608 902891411 /nfs/dbraw/zinc/89/14/11/902891411.db2.gz FPSCFBBWTIOJAP-UHFFFAOYSA-N 2 2 387.505 3.652 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)c1F ZINC001173177787 906254449 /nfs/dbraw/zinc/25/44/49/906254449.db2.gz DHZQHZOPFFBANZ-HOCLYGCPSA-N 2 2 379.476 3.528 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)c1F ZINC001173177787 906254463 /nfs/dbraw/zinc/25/44/63/906254463.db2.gz DHZQHZOPFFBANZ-HOCLYGCPSA-N 2 2 379.476 3.528 20 5 GHBDLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467835850 929485086 /nfs/dbraw/zinc/48/50/86/929485086.db2.gz AELHYDHKXUZALP-FQEVSTJZSA-N 2 2 396.535 3.843 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798498210 932672930 /nfs/dbraw/zinc/67/29/30/932672930.db2.gz NFASECROXYDODU-QFIPXVFZSA-N 2 2 383.492 3.995 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498210 932672933 /nfs/dbraw/zinc/67/29/33/932672933.db2.gz NFASECROXYDODU-QFIPXVFZSA-N 2 2 383.492 3.995 20 5 GHBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001254537979 1040308798 /nfs/dbraw/zinc/30/87/98/1040308798.db2.gz LHIZDNAOUXRYMD-AWEZNQCLSA-N 2 2 394.566 3.567 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1Oc1ccccc1Cl ZINC000415044617 839124882 /nfs/dbraw/zinc/12/48/82/839124882.db2.gz SLKNDICAIRYBGN-HNNXBMFYSA-N 2 2 391.855 3.509 20 5 GHBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427724 842463086 /nfs/dbraw/zinc/46/30/86/842463086.db2.gz DSRSDQPROVRZGH-GCJKJVERSA-N 2 2 383.492 3.775 20 5 GHBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427724 842463093 /nfs/dbraw/zinc/46/30/93/842463093.db2.gz DSRSDQPROVRZGH-GCJKJVERSA-N 2 2 383.492 3.775 20 5 GHBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)[nH+]c2)C1 ZINC000433215732 843867775 /nfs/dbraw/zinc/86/77/75/843867775.db2.gz RAYNHXSLPDXMNK-XLIONFOSSA-N 2 2 395.507 3.965 20 5 GHBDLP C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000611517947 859797156 /nfs/dbraw/zinc/79/71/56/859797156.db2.gz BFRMPAUKMFHEGA-RDJZCZTQSA-N 2 2 380.448 3.736 20 5 GHBDLP C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611517947 859797160 /nfs/dbraw/zinc/79/71/60/859797160.db2.gz BFRMPAUKMFHEGA-RDJZCZTQSA-N 2 2 380.448 3.736 20 5 GHBDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160859 859854593 /nfs/dbraw/zinc/85/45/93/859854593.db2.gz MQFIUKCNSKKSNX-BAGYTPMASA-N 2 2 383.492 3.519 20 5 GHBDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160859 859854600 /nfs/dbraw/zinc/85/46/00/859854600.db2.gz MQFIUKCNSKKSNX-BAGYTPMASA-N 2 2 383.492 3.519 20 5 GHBDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000093394741 860262585 /nfs/dbraw/zinc/26/25/85/860262585.db2.gz YDQNMSUVDGFBBJ-UHFFFAOYSA-N 2 2 389.521 3.602 20 5 GHBDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000093394741 860262599 /nfs/dbraw/zinc/26/25/99/860262599.db2.gz YDQNMSUVDGFBBJ-UHFFFAOYSA-N 2 2 389.521 3.602 20 5 GHBDLP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619722880 872922452 /nfs/dbraw/zinc/92/24/52/872922452.db2.gz PJYKJIDDJIQRFM-KRWDZBQOSA-N 2 2 384.480 3.776 20 5 GHBDLP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619722880 872922457 /nfs/dbraw/zinc/92/24/57/872922457.db2.gz PJYKJIDDJIQRFM-KRWDZBQOSA-N 2 2 384.480 3.776 20 5 GHBDLP O=[N+]([O-])c1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000761523835 879215187 /nfs/dbraw/zinc/21/51/87/879215187.db2.gz YJWLJBZFJXLNJR-UHFFFAOYSA-N 2 2 388.899 3.550 20 5 GHBDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008117 906083752 /nfs/dbraw/zinc/08/37/52/906083752.db2.gz MXUSMNMEKHBEAB-OAHLLOKOSA-N 2 2 396.482 3.552 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001177235613 908476190 /nfs/dbraw/zinc/47/61/90/908476190.db2.gz GFPVUGOGYBLKBS-JZJYNLBNSA-N 2 2 394.519 3.800 20 5 GHBDLP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](c2ccccc2)C1 ZINC001179016074 909341586 /nfs/dbraw/zinc/34/15/86/909341586.db2.gz XDRRYPWGFXVKPE-AEFFLSMTSA-N 2 2 391.418 3.631 20 5 GHBDLP C[N@H+]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](c2ccccc2)C1 ZINC001179016074 909341599 /nfs/dbraw/zinc/34/15/99/909341599.db2.gz XDRRYPWGFXVKPE-AEFFLSMTSA-N 2 2 391.418 3.631 20 5 GHBDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Cl)c([N+](=O)[O-])c3)[nH+]c2)CC1 ZINC000269133190 910155467 /nfs/dbraw/zinc/15/54/67/910155467.db2.gz IUAMGQPLPZBNTG-UHFFFAOYSA-N 2 2 389.887 3.786 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000246258578 910207019 /nfs/dbraw/zinc/20/70/19/910207019.db2.gz KOMATUCVFWACAS-ACIOBRDBSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000246258578 910207035 /nfs/dbraw/zinc/20/70/35/910207035.db2.gz KOMATUCVFWACAS-ACIOBRDBSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000246258578 910207051 /nfs/dbraw/zinc/20/70/51/910207051.db2.gz KOMATUCVFWACAS-ACIOBRDBSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000246258578 910207065 /nfs/dbraw/zinc/20/70/65/910207065.db2.gz KOMATUCVFWACAS-ACIOBRDBSA-N 2 2 395.503 3.615 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001181997192 911116946 /nfs/dbraw/zinc/11/69/46/911116946.db2.gz GJDOKJBWNSXGNS-FQEVSTJZSA-N 2 2 392.503 3.769 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001181997192 911116947 /nfs/dbraw/zinc/11/69/47/911116947.db2.gz GJDOKJBWNSXGNS-FQEVSTJZSA-N 2 2 392.503 3.769 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001117993480 934074133 /nfs/dbraw/zinc/07/41/33/934074133.db2.gz XKWBKJMPDYLQOC-CYBMUJFWSA-N 2 2 393.285 3.546 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001117993480 934074143 /nfs/dbraw/zinc/07/41/43/934074143.db2.gz XKWBKJMPDYLQOC-CYBMUJFWSA-N 2 2 393.285 3.546 20 5 GHBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780331392 1023455545 /nfs/dbraw/zinc/45/55/45/1023455545.db2.gz SMDWWNHFSGNQRW-UHFFFAOYSA-N 2 2 381.904 3.573 20 5 GHBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)C[C@H]1C[NH2+]CC1(F)F ZINC001219210915 1031306473 /nfs/dbraw/zinc/30/64/73/1031306473.db2.gz OFZFSRUMSQMBQJ-INIZCTEOSA-N 2 2 398.457 3.946 20 5 GHBDLP [NH3+][C@H]1C[C@H](CO)[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001236422980 1041708245 /nfs/dbraw/zinc/70/82/45/1041708245.db2.gz KXVUKMXFUVCFJO-LSDHHAIUSA-N 2 2 384.483 3.850 20 5 GHBDLP [NH3+][C@H]1C[C@H](CO)[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001236422980 1041708251 /nfs/dbraw/zinc/70/82/51/1041708251.db2.gz KXVUKMXFUVCFJO-LSDHHAIUSA-N 2 2 384.483 3.850 20 5 GHBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001318586184 1054734233 /nfs/dbraw/zinc/73/42/33/1054734233.db2.gz QDLZCCMDTYANJZ-GFCCVEGCSA-N 2 2 383.433 3.603 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC001351996790 1064754958 /nfs/dbraw/zinc/75/49/58/1064754958.db2.gz DYEJGWMGKDFEFS-HNNXBMFYSA-N 2 2 385.464 3.624 20 5 GHBDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001473896471 1074194171 /nfs/dbraw/zinc/19/41/71/1074194171.db2.gz DGARHVLYESJJKH-MRXNPFEDSA-N 2 2 399.495 3.755 20 5 GHBDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001473896471 1074194174 /nfs/dbraw/zinc/19/41/74/1074194174.db2.gz DGARHVLYESJJKH-MRXNPFEDSA-N 2 2 399.495 3.755 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246876459 834979319 /nfs/dbraw/zinc/97/93/19/834979319.db2.gz QGQYODRYPFXQNH-ALKREAHSSA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246876459 834979327 /nfs/dbraw/zinc/97/93/27/834979327.db2.gz QGQYODRYPFXQNH-ALKREAHSSA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246876459 834979334 /nfs/dbraw/zinc/97/93/34/834979334.db2.gz QGQYODRYPFXQNH-ALKREAHSSA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246876459 834979340 /nfs/dbraw/zinc/97/93/40/834979340.db2.gz QGQYODRYPFXQNH-ALKREAHSSA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512480134 843964192 /nfs/dbraw/zinc/96/41/92/843964192.db2.gz LJNONTFAQMWYIS-AUSIDOKSSA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512480134 843964198 /nfs/dbraw/zinc/96/41/98/843964198.db2.gz LJNONTFAQMWYIS-AUSIDOKSSA-N 2 2 394.519 3.548 20 5 GHBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611143 856314639 /nfs/dbraw/zinc/31/46/39/856314639.db2.gz WNPQTEALCPAPBS-VQTJNVASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611143 856314653 /nfs/dbraw/zinc/31/46/53/856314653.db2.gz WNPQTEALCPAPBS-VQTJNVASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611143 856314661 /nfs/dbraw/zinc/31/46/61/856314661.db2.gz WNPQTEALCPAPBS-VQTJNVASSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611143 856314671 /nfs/dbraw/zinc/31/46/71/856314671.db2.gz WNPQTEALCPAPBS-VQTJNVASSA-N 2 2 381.476 3.557 20 5 GHBDLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000446838887 870559608 /nfs/dbraw/zinc/55/96/08/870559608.db2.gz NBWXLIBJDCJVBO-WBVHZDCISA-N 2 2 379.464 3.614 20 5 GHBDLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000446838887 870559616 /nfs/dbraw/zinc/55/96/16/870559616.db2.gz NBWXLIBJDCJVBO-WBVHZDCISA-N 2 2 379.464 3.614 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460343936 872795060 /nfs/dbraw/zinc/79/50/60/872795060.db2.gz UFRYGORTNXSQQK-YPGOJHLTSA-N 2 2 383.492 3.850 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460343936 872795074 /nfs/dbraw/zinc/79/50/74/872795074.db2.gz UFRYGORTNXSQQK-YPGOJHLTSA-N 2 2 383.492 3.850 20 5 GHBDLP Cc1c(NC(=O)CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000542131351 875027789 /nfs/dbraw/zinc/02/77/89/875027789.db2.gz WMRIXXMSIDIOOT-UHFFFAOYSA-N 2 2 399.495 3.621 20 5 GHBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493970844 879788632 /nfs/dbraw/zinc/78/86/32/879788632.db2.gz UOPAYKZRFDEAPT-UHFFFAOYSA-N 2 2 399.495 3.507 20 5 GHBDLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000872056961 891133656 /nfs/dbraw/zinc/13/36/56/891133656.db2.gz VLBILEGOCWGRQM-AWEZNQCLSA-N 2 2 387.459 3.832 20 5 GHBDLP CCOc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1[N+](=O)[O-] ZINC000537456273 895025146 /nfs/dbraw/zinc/02/51/46/895025146.db2.gz QNEOTXOIHHJORM-CRAIPNDOSA-N 2 2 399.495 3.702 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001173193947 906278784 /nfs/dbraw/zinc/27/87/84/906278784.db2.gz SDIYZRSURDDKEH-HUUCEWRRSA-N 2 2 389.427 3.530 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001173193947 906278797 /nfs/dbraw/zinc/27/87/97/906278797.db2.gz SDIYZRSURDDKEH-HUUCEWRRSA-N 2 2 389.427 3.530 20 5 GHBDLP [NH2+]=c1ccc2nc3c(cc(NC(=O)CCc4[nH]cc[nH+]4)c4ccccc43)oc-2c1 ZINC001177996560 908841278 /nfs/dbraw/zinc/84/12/78/908841278.db2.gz HCEJGDYEXBRDIS-UHFFFAOYSA-N 2 2 383.411 3.860 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191358515 917926834 /nfs/dbraw/zinc/92/68/34/917926834.db2.gz LXYOADIHRDNGFV-HSZRJFAPSA-N 2 2 395.503 3.962 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191358515 917926844 /nfs/dbraw/zinc/92/68/44/917926844.db2.gz LXYOADIHRDNGFV-HSZRJFAPSA-N 2 2 395.503 3.962 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001191358515 917926852 /nfs/dbraw/zinc/92/68/52/917926852.db2.gz LXYOADIHRDNGFV-HSZRJFAPSA-N 2 2 395.503 3.962 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001191358515 917926859 /nfs/dbraw/zinc/92/68/59/917926859.db2.gz LXYOADIHRDNGFV-HSZRJFAPSA-N 2 2 395.503 3.962 20 5 GHBDLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)nc1 ZINC001232221801 1035170399 /nfs/dbraw/zinc/17/03/99/1035170399.db2.gz CUAJVGKWSHSKKB-OYRHEFFESA-N 2 2 395.510 3.742 20 5 GHBDLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)nc1 ZINC001232221801 1035170403 /nfs/dbraw/zinc/17/04/03/1035170403.db2.gz CUAJVGKWSHSKKB-OYRHEFFESA-N 2 2 395.510 3.742 20 5 GHBDLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)nc1 ZINC001232221801 1035170407 /nfs/dbraw/zinc/17/04/07/1035170407.db2.gz CUAJVGKWSHSKKB-OYRHEFFESA-N 2 2 395.510 3.742 20 5 GHBDLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)nc1 ZINC001232221801 1035170410 /nfs/dbraw/zinc/17/04/10/1035170410.db2.gz CUAJVGKWSHSKKB-OYRHEFFESA-N 2 2 395.510 3.742 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC001254603031 1040375518 /nfs/dbraw/zinc/37/55/18/1040375518.db2.gz KQURDWXFQSKJOV-HSZRJFAPSA-N 2 2 377.488 3.585 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001254603031 1040375525 /nfs/dbraw/zinc/37/55/25/1040375525.db2.gz KQURDWXFQSKJOV-HSZRJFAPSA-N 2 2 377.488 3.585 20 5 GHBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001318586187 1054734611 /nfs/dbraw/zinc/73/46/11/1054734611.db2.gz QDLZCCMDTYANJZ-LBPRGKRZSA-N 2 2 383.433 3.603 20 5 GHBDLP CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001320543682 1055872474 /nfs/dbraw/zinc/87/24/74/1055872474.db2.gz PPUBUBILBLRFGI-MRXNPFEDSA-N 2 2 379.420 3.691 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001339997059 1059605253 /nfs/dbraw/zinc/60/52/53/1059605253.db2.gz AXVDARALWSTSPN-CYBMUJFWSA-N 2 2 393.285 3.546 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001339997059 1059605258 /nfs/dbraw/zinc/60/52/58/1059605258.db2.gz AXVDARALWSTSPN-CYBMUJFWSA-N 2 2 393.285 3.546 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000468653786 838702785 /nfs/dbraw/zinc/70/27/85/838702785.db2.gz YFRREDVUWYVQJK-PDGQHHTCSA-N 2 2 381.476 3.620 20 5 GHBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279160220 842662121 /nfs/dbraw/zinc/66/21/21/842662121.db2.gz UAFHECVFUHCPGG-LJQANCHMSA-N 2 2 377.448 3.996 20 5 GHBDLP COc1ccc(C[C@H](C)[NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170311341 881341477 /nfs/dbraw/zinc/34/14/77/881341477.db2.gz AKMBFAXUIXRAPG-RXVVDRJESA-N 2 2 397.519 3.831 20 5 GHBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000504899857 850427994 /nfs/dbraw/zinc/42/79/94/850427994.db2.gz NMXJMBDMRIOODJ-KRWDZBQOSA-N 2 2 393.553 3.700 20 5 GHBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793302 854826152 /nfs/dbraw/zinc/82/61/52/854826152.db2.gz YVDPVYPKTCQXAO-HRCADAONSA-N 2 2 387.505 3.837 20 5 GHBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765793302 854826156 /nfs/dbraw/zinc/82/61/56/854826156.db2.gz YVDPVYPKTCQXAO-HRCADAONSA-N 2 2 387.505 3.837 20 5 GHBDLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000237169180 855031930 /nfs/dbraw/zinc/03/19/30/855031930.db2.gz GNKOAFBYBOMKML-UHFFFAOYSA-N 2 2 394.269 3.801 20 5 GHBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)[nH+]c2)C1 ZINC000447603884 871965764 /nfs/dbraw/zinc/96/57/64/871965764.db2.gz ZFEWTRQFPOHJBF-AZUAARDMSA-N 2 2 381.480 3.620 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2)c1 ZINC000493987706 879820479 /nfs/dbraw/zinc/82/04/79/879820479.db2.gz AZKXJFROOGJTSS-XPWALMASSA-N 2 2 395.503 3.652 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc2)c1 ZINC000493987704 879820570 /nfs/dbraw/zinc/82/05/70/879820570.db2.gz AZKXJFROOGJTSS-DNVJHFABSA-N 2 2 395.503 3.652 20 5 GHBDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009120 906084578 /nfs/dbraw/zinc/08/45/78/906084578.db2.gz RJWDBPFLJNGXAD-HNNXBMFYSA-N 2 2 396.482 3.552 20 5 GHBDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009120 906084587 /nfs/dbraw/zinc/08/45/87/906084587.db2.gz RJWDBPFLJNGXAD-HNNXBMFYSA-N 2 2 396.482 3.552 20 5 GHBDLP COc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000798497856 932672237 /nfs/dbraw/zinc/67/22/37/932672237.db2.gz GIJICKGHXFCQEW-JOCHJYFZSA-N 2 2 399.491 3.614 20 5 GHBDLP COc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000798497856 932672244 /nfs/dbraw/zinc/67/22/44/932672244.db2.gz GIJICKGHXFCQEW-JOCHJYFZSA-N 2 2 399.491 3.614 20 5 GHBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1C[NH2+]C[C@H](F)C1 ZINC001219207238 1031304795 /nfs/dbraw/zinc/30/47/95/1031304795.db2.gz CHVWKQZTILUWCJ-IAGOWNOFSA-N 2 2 380.467 3.649 20 5 GHBDLP O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC001462478164 1070287182 /nfs/dbraw/zinc/28/71/82/1070287182.db2.gz ADEACIFPASFBLQ-GFCCVEGCSA-N 2 2 388.331 3.630 20 5 GHBDLP O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC001462478164 1070287198 /nfs/dbraw/zinc/28/71/98/1070287198.db2.gz ADEACIFPASFBLQ-GFCCVEGCSA-N 2 2 388.331 3.630 20 5 GHBDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125558733 842155777 /nfs/dbraw/zinc/15/57/77/842155777.db2.gz BBJGGQQUJGPOQC-IBGZPJMESA-N 2 2 399.491 3.566 20 5 GHBDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125558733 842155785 /nfs/dbraw/zinc/15/57/85/842155785.db2.gz BBJGGQQUJGPOQC-IBGZPJMESA-N 2 2 399.491 3.566 20 5 GHBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1 ZINC000301449977 856370981 /nfs/dbraw/zinc/37/09/81/856370981.db2.gz SIGVUBQGPOQWIZ-UHFFFAOYSA-N 2 2 386.418 3.584 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000595016908 858352149 /nfs/dbraw/zinc/35/21/49/858352149.db2.gz AVAJUYBAKITJEH-KXBFYZLASA-N 2 2 380.448 3.972 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)o2)cc1 ZINC000541200997 873125221 /nfs/dbraw/zinc/12/52/21/873125221.db2.gz GVNGYKZGGJGUDW-UHFFFAOYSA-N 2 2 396.451 3.534 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000776586216 878232349 /nfs/dbraw/zinc/23/23/49/878232349.db2.gz KTGRXOIUYSGXKI-YMPZKCBVSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000776586216 878232367 /nfs/dbraw/zinc/23/23/67/878232367.db2.gz KTGRXOIUYSGXKI-YMPZKCBVSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000776586216 878232384 /nfs/dbraw/zinc/23/23/84/878232384.db2.gz KTGRXOIUYSGXKI-YMPZKCBVSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000776586216 878232402 /nfs/dbraw/zinc/23/24/02/878232402.db2.gz KTGRXOIUYSGXKI-YMPZKCBVSA-N 2 2 395.503 3.615 20 5 GHBDLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000877066195 893466495 /nfs/dbraw/zinc/46/64/95/893466495.db2.gz GALHNDCFAGMFLO-UHFFFAOYSA-N 2 2 395.463 3.561 20 5 GHBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C(F)(F)F ZINC000600777559 902900011 /nfs/dbraw/zinc/90/00/11/902900011.db2.gz UZQCRLWYORRQGY-CZUORRHYSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C(F)(F)F ZINC000600777559 902900020 /nfs/dbraw/zinc/90/00/20/902900020.db2.gz UZQCRLWYORRQGY-CZUORRHYSA-N 2 2 383.370 3.814 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)CC2 ZINC001172912061 906020485 /nfs/dbraw/zinc/02/04/85/906020485.db2.gz IEUBUZYRQUSFHI-KRWDZBQOSA-N 2 2 384.455 3.635 20 5 GHBDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000177490743 906147182 /nfs/dbraw/zinc/14/71/82/906147182.db2.gz MTQQMLBOCGVJDK-UHFFFAOYSA-N 2 2 394.515 3.925 20 5 GHBDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225347 906307537 /nfs/dbraw/zinc/30/75/37/906307537.db2.gz JJCWZJXUPXFFDW-IAGOWNOFSA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225347 906307549 /nfs/dbraw/zinc/30/75/49/906307549.db2.gz JJCWZJXUPXFFDW-IAGOWNOFSA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225347 906307562 /nfs/dbraw/zinc/30/75/62/906307562.db2.gz JJCWZJXUPXFFDW-IAGOWNOFSA-N 2 2 385.512 3.639 20 5 GHBDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225347 906307567 /nfs/dbraw/zinc/30/75/67/906307567.db2.gz JJCWZJXUPXFFDW-IAGOWNOFSA-N 2 2 385.512 3.639 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)c1 ZINC000543987923 928650193 /nfs/dbraw/zinc/65/01/93/928650193.db2.gz OZYNJTWDHZOTQN-UHFFFAOYSA-N 2 2 396.451 3.534 20 5 GHBDLP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000543988879 928652034 /nfs/dbraw/zinc/65/20/34/928652034.db2.gz KWDZYNUIIZKDLI-QGZVFWFLSA-N 2 2 399.495 3.619 20 5 GHBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000576106672 1019979984 /nfs/dbraw/zinc/97/99/84/1019979984.db2.gz FNNMIHOHAFAMBB-IBGZPJMESA-N 2 2 381.476 3.890 20 5 GHBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000576106672 1019979987 /nfs/dbraw/zinc/97/99/87/1019979987.db2.gz FNNMIHOHAFAMBB-IBGZPJMESA-N 2 2 381.476 3.890 20 5 GHBDLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001459824822 1064233658 /nfs/dbraw/zinc/23/36/58/1064233658.db2.gz MLVJCOIVUIPKNA-IBGZPJMESA-N 2 2 382.508 3.766 20 5 GHBDLP COc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000613286030 837534891 /nfs/dbraw/zinc/53/48/91/837534891.db2.gz ZXDRIYMQOJDUNF-UHFFFAOYSA-N 2 2 379.476 3.831 20 5 GHBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695921 850776339 /nfs/dbraw/zinc/77/63/39/850776339.db2.gz OOSHFOFTUAYMFR-SFHVURJKSA-N 2 2 375.469 3.940 20 5 GHBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695921 850776347 /nfs/dbraw/zinc/77/63/47/850776347.db2.gz OOSHFOFTUAYMFR-SFHVURJKSA-N 2 2 375.469 3.940 20 5 GHBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000108427955 853065284 /nfs/dbraw/zinc/06/52/84/853065284.db2.gz QMLGLOAQLLVZGS-SFHVURJKSA-N 2 2 399.491 3.614 20 5 GHBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000108427955 853065290 /nfs/dbraw/zinc/06/52/90/853065290.db2.gz QMLGLOAQLLVZGS-SFHVURJKSA-N 2 2 399.491 3.614 20 5 GHBDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135846 855310270 /nfs/dbraw/zinc/31/02/70/855310270.db2.gz YZCXVWOGJKJMAU-ZDUSSCGKSA-N 2 2 386.418 3.502 20 5 GHBDLP Cc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135846 855310278 /nfs/dbraw/zinc/31/02/78/855310278.db2.gz YZCXVWOGJKJMAU-ZDUSSCGKSA-N 2 2 386.418 3.502 20 5 GHBDLP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000594736848 858269332 /nfs/dbraw/zinc/26/93/32/858269332.db2.gz WXYXRGPDIQQZAU-UHFFFAOYSA-N 2 2 379.464 3.617 20 5 GHBDLP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000594736848 858269340 /nfs/dbraw/zinc/26/93/40/858269340.db2.gz WXYXRGPDIQQZAU-UHFFFAOYSA-N 2 2 379.464 3.617 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1Oc1ccc(F)cc1 ZINC000494403985 881678781 /nfs/dbraw/zinc/67/87/81/881678781.db2.gz JDSXDUHMIYXIST-INIZCTEOSA-N 2 2 382.395 3.827 20 5 GHBDLP CCOc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774431 877527178 /nfs/dbraw/zinc/52/71/78/877527178.db2.gz QUMJTSKXHVMUPA-HXUWFJFHSA-N 2 2 383.492 3.947 20 5 GHBDLP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774431 877527190 /nfs/dbraw/zinc/52/71/90/877527190.db2.gz QUMJTSKXHVMUPA-HXUWFJFHSA-N 2 2 383.492 3.947 20 5 GHBDLP CCOc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774431 877527203 /nfs/dbraw/zinc/52/72/03/877527203.db2.gz QUMJTSKXHVMUPA-HXUWFJFHSA-N 2 2 383.492 3.947 20 5 GHBDLP CCOc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492774431 877527215 /nfs/dbraw/zinc/52/72/15/877527215.db2.gz QUMJTSKXHVMUPA-HXUWFJFHSA-N 2 2 383.492 3.947 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428554694 884974894 /nfs/dbraw/zinc/97/48/94/884974894.db2.gz SUMUBOQVITUZQE-FYVGXUMQSA-N 2 2 395.503 3.879 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428554694 884974917 /nfs/dbraw/zinc/97/49/17/884974917.db2.gz SUMUBOQVITUZQE-FYVGXUMQSA-N 2 2 395.503 3.879 20 5 GHBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495438013 885807183 /nfs/dbraw/zinc/80/71/83/885807183.db2.gz FTWZBSFZSVSXLI-KXBFYZLASA-N 2 2 388.899 3.686 20 5 GHBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495438013 885807197 /nfs/dbraw/zinc/80/71/97/885807197.db2.gz FTWZBSFZSVSXLI-KXBFYZLASA-N 2 2 388.899 3.686 20 5 GHBDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000154420383 892109292 /nfs/dbraw/zinc/10/92/92/892109292.db2.gz LNDVKEYUFNOYAG-AGHHOFFYSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000154420383 892109298 /nfs/dbraw/zinc/10/92/98/892109298.db2.gz LNDVKEYUFNOYAG-AGHHOFFYSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+]1Cc1ccccc1 ZINC000154420383 892109311 /nfs/dbraw/zinc/10/93/11/892109311.db2.gz LNDVKEYUFNOYAG-AGHHOFFYSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+]1Cc1ccccc1 ZINC000154420383 892109319 /nfs/dbraw/zinc/10/93/19/892109319.db2.gz LNDVKEYUFNOYAG-AGHHOFFYSA-N 2 2 383.492 3.613 20 5 GHBDLP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000152636713 904287683 /nfs/dbraw/zinc/28/76/83/904287683.db2.gz AFWSANZZAOCXCN-KRWDZBQOSA-N 2 2 399.491 3.677 20 5 GHBDLP COc1cc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903103554 922776161 /nfs/dbraw/zinc/77/61/61/922776161.db2.gz JVGCXIFIWLOWFD-FOIQADDNSA-N 2 2 380.448 3.972 20 5 GHBDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580093 1040355747 /nfs/dbraw/zinc/35/57/47/1040355747.db2.gz BKPKWWVYPQLONS-NRFANRHFSA-N 2 2 383.467 3.764 20 5 GHBDLP Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2[N+](=O)[O-])cc1 ZINC000415030070 839088753 /nfs/dbraw/zinc/08/87/53/839088753.db2.gz BSGMWHRMHOFZHT-KRWDZBQOSA-N 2 2 387.505 3.523 20 5 GHBDLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000151168085 846243180 /nfs/dbraw/zinc/24/31/80/846243180.db2.gz ZSOJDHSQZXTTCV-KRWDZBQOSA-N 2 2 388.512 3.510 20 5 GHBDLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000151168085 846243192 /nfs/dbraw/zinc/24/31/92/846243192.db2.gz ZSOJDHSQZXTTCV-KRWDZBQOSA-N 2 2 388.512 3.510 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000132130339 861916793 /nfs/dbraw/zinc/91/67/93/861916793.db2.gz KRLCCGNWEJLHHC-NRFANRHFSA-N 2 2 390.487 3.993 20 5 GHBDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000173327046 856858801 /nfs/dbraw/zinc/85/88/01/856858801.db2.gz XVQNMZOCVHGQOK-SFHVURJKSA-N 2 2 382.508 3.583 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000595102735 858405423 /nfs/dbraw/zinc/40/54/23/858405423.db2.gz LNMIMKBCFHKTRV-VXKWHMMOSA-N 2 2 381.476 3.527 20 5 GHBDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000603586090 860867503 /nfs/dbraw/zinc/86/75/03/860867503.db2.gz IZIGZVUJWSIFKV-UHFFFAOYSA-N 2 2 382.508 3.514 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000129783836 867831597 /nfs/dbraw/zinc/83/15/97/867831597.db2.gz UKIMFWOWVYHALC-YLJYHZDGSA-N 2 2 380.492 3.960 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428554693 884975150 /nfs/dbraw/zinc/97/51/50/884975150.db2.gz SUMUBOQVITUZQE-FOYGFLCZSA-N 2 2 395.503 3.879 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428554693 884975173 /nfs/dbraw/zinc/97/51/73/884975173.db2.gz SUMUBOQVITUZQE-FOYGFLCZSA-N 2 2 395.503 3.879 20 5 GHBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000872036370 891129071 /nfs/dbraw/zinc/12/90/71/891129071.db2.gz UQEGNJACQDZGAV-PBHICJAKSA-N 2 2 379.526 3.611 20 5 GHBDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000106212310 898260893 /nfs/dbraw/zinc/26/08/93/898260893.db2.gz DBKFKHAVTAZRED-SFHVURJKSA-N 2 2 395.463 3.888 20 5 GHBDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000106212310 898260912 /nfs/dbraw/zinc/26/09/12/898260912.db2.gz DBKFKHAVTAZRED-SFHVURJKSA-N 2 2 395.463 3.888 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166356 901149457 /nfs/dbraw/zinc/14/94/57/901149457.db2.gz FRGYWELMTYTHAY-AZUAARDMSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166356 901149459 /nfs/dbraw/zinc/14/94/59/901149459.db2.gz FRGYWELMTYTHAY-AZUAARDMSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166356 901149466 /nfs/dbraw/zinc/14/94/66/901149466.db2.gz FRGYWELMTYTHAY-AZUAARDMSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166356 901149470 /nfs/dbraw/zinc/14/94/70/901149470.db2.gz FRGYWELMTYTHAY-AZUAARDMSA-N 2 2 381.476 3.557 20 5 GHBDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584742 1040357849 /nfs/dbraw/zinc/35/78/49/1040357849.db2.gz JEAHDCGYDQDMQN-NRFANRHFSA-N 2 2 383.467 3.764 20 5 GHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)o1 ZINC001338309336 1058506840 /nfs/dbraw/zinc/50/68/40/1058506840.db2.gz LSRZTVSLTMAPOS-UHFFFAOYSA-N 2 2 385.464 3.588 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001460851565 1069220296 /nfs/dbraw/zinc/22/02/96/1069220296.db2.gz UXJJYPCKOJRQQW-QFIPXVFZSA-N 2 2 395.503 3.715 20 5 GHBDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000175717608 837118056 /nfs/dbraw/zinc/11/80/56/837118056.db2.gz JNJKQXMQOAGCLB-CQSZACIVSA-N 2 2 394.431 3.806 20 5 GHBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414797659 838837476 /nfs/dbraw/zinc/83/74/76/838837476.db2.gz PHIPNUDHGPTVII-HNNXBMFYSA-N 2 2 382.258 3.690 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237349 843180679 /nfs/dbraw/zinc/18/06/79/843180679.db2.gz PTCFMITYEXHUFA-JOCHJYFZSA-N 2 2 381.476 3.572 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237349 843180686 /nfs/dbraw/zinc/18/06/86/843180686.db2.gz PTCFMITYEXHUFA-JOCHJYFZSA-N 2 2 381.476 3.572 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237349 843180690 /nfs/dbraw/zinc/18/06/90/843180690.db2.gz PTCFMITYEXHUFA-JOCHJYFZSA-N 2 2 381.476 3.572 20 5 GHBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237349 843180700 /nfs/dbraw/zinc/18/07/00/843180700.db2.gz PTCFMITYEXHUFA-JOCHJYFZSA-N 2 2 381.476 3.572 20 5 GHBDLP CC1(C)C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279596 843950482 /nfs/dbraw/zinc/95/04/82/843950482.db2.gz UDIGWINWRYTRDQ-JTHBVZDNSA-N 2 2 395.503 3.544 20 5 GHBDLP CC1(C)C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279596 843950486 /nfs/dbraw/zinc/95/04/86/843950486.db2.gz UDIGWINWRYTRDQ-JTHBVZDNSA-N 2 2 395.503 3.544 20 5 GHBDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC[NH2+]1 ZINC000423414566 849915680 /nfs/dbraw/zinc/91/56/80/849915680.db2.gz CHZCGFJOKCILRB-LIRRHRJNSA-N 2 2 375.494 3.743 20 5 GHBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000504899858 850428225 /nfs/dbraw/zinc/42/82/25/850428225.db2.gz NMXJMBDMRIOODJ-QGZVFWFLSA-N 2 2 393.553 3.700 20 5 GHBDLP C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000507945091 856728920 /nfs/dbraw/zinc/72/89/20/856728920.db2.gz KAGVOZXSWXLUGA-KRWDZBQOSA-N 2 2 379.464 3.985 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000595016906 858352348 /nfs/dbraw/zinc/35/23/48/858352348.db2.gz AVAJUYBAKITJEH-HNAYVOBHSA-N 2 2 380.448 3.972 20 5 GHBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123363507 859937184 /nfs/dbraw/zinc/93/71/84/859937184.db2.gz QPCJTRDOJTWGDO-CQSZACIVSA-N 2 2 396.919 3.629 20 5 GHBDLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000603633155 860952682 /nfs/dbraw/zinc/95/26/82/860952682.db2.gz FJOZURBIXCVGIP-INIZCTEOSA-N 2 2 396.447 3.557 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878286 881766717 /nfs/dbraw/zinc/76/67/17/881766717.db2.gz UKERFLCFQRIZFI-DNVCBOLYSA-N 2 2 384.436 3.503 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878286 881766724 /nfs/dbraw/zinc/76/67/24/881766724.db2.gz UKERFLCFQRIZFI-DNVCBOLYSA-N 2 2 384.436 3.503 20 5 GHBDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)CC1 ZINC000742717779 867530159 /nfs/dbraw/zinc/53/01/59/867530159.db2.gz HTIKZXVBWGBYSE-UHFFFAOYSA-N 2 2 381.907 3.510 20 5 GHBDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC001199076911 874797995 /nfs/dbraw/zinc/79/79/95/874797995.db2.gz BEGHRRJUJNSZKS-UHFFFAOYSA-N 2 2 382.508 3.514 20 5 GHBDLP CC(C)c1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000532866060 889163600 /nfs/dbraw/zinc/16/36/00/889163600.db2.gz NWQSGIGCOADIOF-UHFFFAOYSA-N 2 2 397.523 3.678 20 5 GHBDLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000564612137 895122112 /nfs/dbraw/zinc/12/21/12/895122112.db2.gz SOAACDVQTRUXFT-AWEZNQCLSA-N 2 2 382.420 3.586 20 5 GHBDLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000564612137 895122119 /nfs/dbraw/zinc/12/21/19/895122119.db2.gz SOAACDVQTRUXFT-AWEZNQCLSA-N 2 2 382.420 3.586 20 5 GHBDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000577386049 902729777 /nfs/dbraw/zinc/72/97/77/902729777.db2.gz PGGLZEZARSYIPA-MRXNPFEDSA-N 2 2 384.480 3.642 20 5 GHBDLP [NH3+]C1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000600772549 902892572 /nfs/dbraw/zinc/89/25/72/902892572.db2.gz DSMMWHFIVQJGRC-UHFFFAOYSA-N 2 2 391.855 3.638 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001173176575 906252977 /nfs/dbraw/zinc/25/29/77/906252977.db2.gz IRMQBFKHWACGDD-CQSZACIVSA-N 2 2 384.411 3.649 20 5 GHBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903216545 922860252 /nfs/dbraw/zinc/86/02/52/922860252.db2.gz CYFTYLVACUDSRS-VHRNVKJDSA-N 2 2 380.286 3.605 20 5 GHBDLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216545 922860262 /nfs/dbraw/zinc/86/02/62/922860262.db2.gz CYFTYLVACUDSRS-VHRNVKJDSA-N 2 2 380.286 3.605 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1Oc1ccc(F)cc1 ZINC000903958424 923437749 /nfs/dbraw/zinc/43/77/49/923437749.db2.gz ZWIHEIKQTMSQAJ-CQSZACIVSA-N 2 2 395.381 3.861 20 5 GHBDLP [NH3+][C@H]1C[C@@H](O)C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958479 1033183688 /nfs/dbraw/zinc/18/36/88/1033183688.db2.gz WPBHQQSSRPJEPP-LSDHHAIUSA-N 2 2 384.483 3.850 20 5 GHBDLP [NH3+][C@H]1C[C@@H](O)C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958479 1033183702 /nfs/dbraw/zinc/18/37/02/1033183702.db2.gz WPBHQQSSRPJEPP-LSDHHAIUSA-N 2 2 384.483 3.850 20 5 GHBDLP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160692897 1035037574 /nfs/dbraw/zinc/03/75/74/1035037574.db2.gz HINATROZNPFLPV-CVDCTZTESA-N 2 2 398.510 3.992 20 5 GHBDLP COc1ccc(C[C@H](C)[NH2+]C2(c3ccccc3F)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246427072 1037384418 /nfs/dbraw/zinc/38/44/18/1037384418.db2.gz BLSCEFVBJCKWBY-HNNXBMFYSA-N 2 2 387.455 3.542 20 5 GHBDLP COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c([N+](=O)[O-])c1 ZINC001247016445 1037840396 /nfs/dbraw/zinc/84/03/96/1037840396.db2.gz VJPLFGDMFWAWEC-INIZCTEOSA-N 2 2 381.476 3.629 20 5 GHBDLP [NH3+]C1(c2ccccc2F)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254469921 1040255667 /nfs/dbraw/zinc/25/56/67/1040255667.db2.gz CATWQCVUGJVZRN-UHFFFAOYSA-N 2 2 398.482 3.653 20 5 GHBDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585236 1040359054 /nfs/dbraw/zinc/35/90/54/1040359054.db2.gz MDZLNJVKAZDLPV-FQEVSTJZSA-N 2 2 383.467 3.764 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001261237120 1045934611 /nfs/dbraw/zinc/93/46/11/1045934611.db2.gz HVVOLGZUDPOGJW-ZDUSSCGKSA-N 2 2 382.386 3.802 20 5 GHBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001261237120 1045934615 /nfs/dbraw/zinc/93/46/15/1045934615.db2.gz HVVOLGZUDPOGJW-ZDUSSCGKSA-N 2 2 382.386 3.802 20 5 GHBDLP CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279594 843950414 /nfs/dbraw/zinc/95/04/14/843950414.db2.gz UDIGWINWRYTRDQ-GGAORHGYSA-N 2 2 395.503 3.544 20 5 GHBDLP CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279594 843950420 /nfs/dbraw/zinc/95/04/20/843950420.db2.gz UDIGWINWRYTRDQ-GGAORHGYSA-N 2 2 395.503 3.544 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170311340 881340688 /nfs/dbraw/zinc/34/06/88/881340688.db2.gz AKMBFAXUIXRAPG-NQIIRXRSSA-N 2 2 397.519 3.831 20 5 GHBDLP Cc1ccc([C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000515234454 850820460 /nfs/dbraw/zinc/82/04/60/850820460.db2.gz KMHHWUDXXGSPSY-OAQYLSRUSA-N 2 2 396.491 3.659 20 5 GHBDLP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094315 853739453 /nfs/dbraw/zinc/73/94/53/853739453.db2.gz NEGKBJPWHTXUIZ-QGZVFWFLSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094315 853739455 /nfs/dbraw/zinc/73/94/55/853739455.db2.gz NEGKBJPWHTXUIZ-QGZVFWFLSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094315 853739458 /nfs/dbraw/zinc/73/94/58/853739458.db2.gz NEGKBJPWHTXUIZ-QGZVFWFLSA-N 2 2 389.521 3.927 20 5 GHBDLP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000571094315 853739462 /nfs/dbraw/zinc/73/94/62/853739462.db2.gz NEGKBJPWHTXUIZ-QGZVFWFLSA-N 2 2 389.521 3.927 20 5 GHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000594993304 858360884 /nfs/dbraw/zinc/36/08/84/858360884.db2.gz NOEFKANIFYAJSH-INIZCTEOSA-N 2 2 387.505 3.666 20 5 GHBDLP COc1ccc(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170323442 881358992 /nfs/dbraw/zinc/35/89/92/881358992.db2.gz KFYDFHPSWPFVRD-KBAYOESNSA-N 2 2 384.480 3.706 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878059 881766581 /nfs/dbraw/zinc/76/65/81/881766581.db2.gz RTGNOWYNZACFGU-JIPZTSHUSA-N 2 2 398.463 3.749 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878059 881766595 /nfs/dbraw/zinc/76/65/95/881766595.db2.gz RTGNOWYNZACFGU-JIPZTSHUSA-N 2 2 398.463 3.749 20 5 GHBDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584284 870466612 /nfs/dbraw/zinc/46/66/12/870466612.db2.gz BMTRUIMWFMKHML-YADHBBJMSA-N 2 2 383.492 3.927 20 5 GHBDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584284 870466617 /nfs/dbraw/zinc/46/66/17/870466617.db2.gz BMTRUIMWFMKHML-YADHBBJMSA-N 2 2 383.492 3.927 20 5 GHBDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447515257 871733761 /nfs/dbraw/zinc/73/37/61/871733761.db2.gz JUMSJZRMFNJDDW-XUVXKRRUSA-N 2 2 385.512 3.948 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598308 871914957 /nfs/dbraw/zinc/91/49/57/871914957.db2.gz UZNHVHXOEZKTSW-GMAHTHKFSA-N 2 2 395.503 3.853 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598308 871914967 /nfs/dbraw/zinc/91/49/67/871914967.db2.gz UZNHVHXOEZKTSW-GMAHTHKFSA-N 2 2 395.503 3.853 20 5 GHBDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000154420154 892109522 /nfs/dbraw/zinc/10/95/22/892109522.db2.gz LNDVKEYUFNOYAG-ZNLUXHQJSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000154420154 892109523 /nfs/dbraw/zinc/10/95/23/892109523.db2.gz LNDVKEYUFNOYAG-ZNLUXHQJSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+]1Cc1ccccc1 ZINC000154420154 892109531 /nfs/dbraw/zinc/10/95/31/892109531.db2.gz LNDVKEYUFNOYAG-ZNLUXHQJSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+]1Cc1ccccc1 ZINC000154420154 892109536 /nfs/dbraw/zinc/10/95/36/892109536.db2.gz LNDVKEYUFNOYAG-ZNLUXHQJSA-N 2 2 383.492 3.613 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000750074378 927420150 /nfs/dbraw/zinc/42/01/50/927420150.db2.gz XQBHHKDHGDKPEU-GOTSBHOMSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000750074378 927420156 /nfs/dbraw/zinc/42/01/56/927420156.db2.gz XQBHHKDHGDKPEU-GOTSBHOMSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000750074378 927420159 /nfs/dbraw/zinc/42/01/59/927420159.db2.gz XQBHHKDHGDKPEU-GOTSBHOMSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000750074378 927420162 /nfs/dbraw/zinc/42/01/62/927420162.db2.gz XQBHHKDHGDKPEU-GOTSBHOMSA-N 2 2 395.503 3.616 20 5 GHBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]([NH3+])c1ccccc1 ZINC001219005330 1031208340 /nfs/dbraw/zinc/20/83/40/1031208340.db2.gz LBLOPGDOUSBNPR-OAQYLSRUSA-N 2 2 386.455 3.595 20 5 GHBDLP [NH3+]C1CCN(c2[nH+]cccc2Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001159261542 1034509897 /nfs/dbraw/zinc/50/98/97/1034509897.db2.gz MOTUSMVYVJTGIB-UHFFFAOYSA-N 2 2 382.251 3.968 20 5 GHBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016678 845731713 /nfs/dbraw/zinc/73/17/13/845731713.db2.gz IZBYQJOVFZIZFS-UBFYYYKXSA-N 2 2 397.523 3.747 20 5 GHBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016678 845731724 /nfs/dbraw/zinc/73/17/24/845731724.db2.gz IZBYQJOVFZIZFS-UBFYYYKXSA-N 2 2 397.523 3.747 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016678 845731733 /nfs/dbraw/zinc/73/17/33/845731733.db2.gz IZBYQJOVFZIZFS-UBFYYYKXSA-N 2 2 397.523 3.747 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000434016678 845731744 /nfs/dbraw/zinc/73/17/44/845731744.db2.gz IZBYQJOVFZIZFS-UBFYYYKXSA-N 2 2 397.523 3.747 20 5 GHBDLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000151168039 846243301 /nfs/dbraw/zinc/24/33/01/846243301.db2.gz ZSOJDHSQZXTTCV-QGZVFWFLSA-N 2 2 388.512 3.510 20 5 GHBDLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000151168039 846243312 /nfs/dbraw/zinc/24/33/12/846243312.db2.gz ZSOJDHSQZXTTCV-QGZVFWFLSA-N 2 2 388.512 3.510 20 5 GHBDLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001128235683 857342434 /nfs/dbraw/zinc/34/24/34/857342434.db2.gz LKAWNXIGGCWJEF-UHFFFAOYSA-N 2 2 399.495 3.555 20 5 GHBDLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c([N+](=O)[O-])c1 ZINC000611268160 859673798 /nfs/dbraw/zinc/67/37/98/859673798.db2.gz XGFAKYWGYDSLMF-OAHLLOKOSA-N 2 2 382.420 3.897 20 5 GHBDLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c([N+](=O)[O-])c1 ZINC000611268160 859673799 /nfs/dbraw/zinc/67/37/99/859673799.db2.gz XGFAKYWGYDSLMF-OAHLLOKOSA-N 2 2 382.420 3.897 20 5 GHBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)[nH+]c2)C1 ZINC000540757152 872071019 /nfs/dbraw/zinc/07/10/19/872071019.db2.gz ZQPZIOPFHLPIPF-VQTJNVASSA-N 2 2 395.507 3.563 20 5 GHBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000872036372 891128806 /nfs/dbraw/zinc/12/88/06/891128806.db2.gz UQEGNJACQDZGAV-WMLDXEAASA-N 2 2 379.526 3.611 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)o2)c1 ZINC000104681760 898154666 /nfs/dbraw/zinc/15/46/66/898154666.db2.gz NBYZWZJGSISYCM-MRXNPFEDSA-N 2 2 393.447 3.621 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)o2)c1 ZINC000104681760 898154680 /nfs/dbraw/zinc/15/46/80/898154680.db2.gz NBYZWZJGSISYCM-MRXNPFEDSA-N 2 2 393.447 3.621 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000750074379 927420457 /nfs/dbraw/zinc/42/04/57/927420457.db2.gz XQBHHKDHGDKPEU-PKTZIBPZSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000750074379 927420461 /nfs/dbraw/zinc/42/04/61/927420461.db2.gz XQBHHKDHGDKPEU-PKTZIBPZSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000750074379 927420468 /nfs/dbraw/zinc/42/04/68/927420468.db2.gz XQBHHKDHGDKPEU-PKTZIBPZSA-N 2 2 395.503 3.616 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000750074379 927420477 /nfs/dbraw/zinc/42/04/77/927420477.db2.gz XQBHHKDHGDKPEU-PKTZIBPZSA-N 2 2 395.503 3.616 20 5 GHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001308197721 1049909078 /nfs/dbraw/zinc/90/90/78/1049909078.db2.gz LVZFAQYTYXHXBF-UHFFFAOYSA-N 2 2 382.508 3.514 20 5 GHBDLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001460634938 1069044859 /nfs/dbraw/zinc/04/48/59/1069044859.db2.gz DQEMKLSCORSCOW-ZRZAMGCNSA-N 2 2 395.503 3.818 20 5 GHBDLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001460634938 1069044866 /nfs/dbraw/zinc/04/48/66/1069044866.db2.gz DQEMKLSCORSCOW-ZRZAMGCNSA-N 2 2 395.503 3.818 20 5 GHBDLP C[C@@]12C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001460634938 1069044871 /nfs/dbraw/zinc/04/48/71/1069044871.db2.gz DQEMKLSCORSCOW-ZRZAMGCNSA-N 2 2 395.503 3.818 20 5 GHBDLP C[C@@]12C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001460634938 1069044875 /nfs/dbraw/zinc/04/48/75/1069044875.db2.gz DQEMKLSCORSCOW-ZRZAMGCNSA-N 2 2 395.503 3.818 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1Oc1ccc(F)cc1 ZINC000581078504 837457824 /nfs/dbraw/zinc/45/78/24/837457824.db2.gz XAELNAODWBBCJE-OAHLLOKOSA-N 2 2 382.395 3.896 20 5 GHBDLP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000728571627 834791874 /nfs/dbraw/zinc/79/18/74/834791874.db2.gz HRJZOUUCAHIDKU-CQSZACIVSA-N 2 2 396.919 3.627 20 5 GHBDLP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000728571627 834791876 /nfs/dbraw/zinc/79/18/76/834791876.db2.gz HRJZOUUCAHIDKU-CQSZACIVSA-N 2 2 396.919 3.627 20 5 GHBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000434022581 846163670 /nfs/dbraw/zinc/16/36/70/846163670.db2.gz BBIQIWWKFSOHPQ-GHTZIAJQSA-N 2 2 385.512 3.542 20 5 GHBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000434022581 846163681 /nfs/dbraw/zinc/16/36/81/846163681.db2.gz BBIQIWWKFSOHPQ-GHTZIAJQSA-N 2 2 385.512 3.542 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000434022581 846163692 /nfs/dbraw/zinc/16/36/92/846163692.db2.gz BBIQIWWKFSOHPQ-GHTZIAJQSA-N 2 2 385.512 3.542 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000434022581 846163699 /nfs/dbraw/zinc/16/36/99/846163699.db2.gz BBIQIWWKFSOHPQ-GHTZIAJQSA-N 2 2 385.512 3.542 20 5 GHBDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000509443711 859458783 /nfs/dbraw/zinc/45/87/83/859458783.db2.gz FUQWCFJLXOEFPX-OAQYLSRUSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000509443711 859458789 /nfs/dbraw/zinc/45/87/89/859458789.db2.gz FUQWCFJLXOEFPX-OAQYLSRUSA-N 2 2 383.492 3.994 20 5 GHBDLP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146264 859832721 /nfs/dbraw/zinc/83/27/21/859832721.db2.gz NLRHGMJZDJBDKM-PMVMPFDFSA-N 2 2 397.519 3.909 20 5 GHBDLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484146264 859832727 /nfs/dbraw/zinc/83/27/27/859832727.db2.gz NLRHGMJZDJBDKM-PMVMPFDFSA-N 2 2 397.519 3.909 20 5 GHBDLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000155175633 860427715 /nfs/dbraw/zinc/42/77/15/860427715.db2.gz ADHZVBJLEBELFV-JOCHJYFZSA-N 2 2 399.491 3.547 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709263 871270994 /nfs/dbraw/zinc/27/09/94/871270994.db2.gz JJGKKBGERMNCHE-VQIMIIECSA-N 2 2 399.491 3.755 20 5 GHBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000525709263 871271012 /nfs/dbraw/zinc/27/10/12/871271012.db2.gz JJGKKBGERMNCHE-VQIMIIECSA-N 2 2 399.491 3.755 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460343934 872790291 /nfs/dbraw/zinc/79/02/91/872790291.db2.gz UFRYGORTNXSQQK-IAGOWNOFSA-N 2 2 383.492 3.850 20 5 GHBDLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060832 891133808 /nfs/dbraw/zinc/13/38/08/891133808.db2.gz URGAIABUWOZMOQ-MAUKXSAKSA-N 2 2 387.455 3.541 20 5 GHBDLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060832 891133812 /nfs/dbraw/zinc/13/38/12/891133812.db2.gz URGAIABUWOZMOQ-MAUKXSAKSA-N 2 2 387.455 3.541 20 5 GHBDLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000819065252 896382895 /nfs/dbraw/zinc/38/28/95/896382895.db2.gz FKEPREAPYJUDGW-LAUBAEHRSA-N 2 2 383.492 3.881 20 5 GHBDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000819066072 896384194 /nfs/dbraw/zinc/38/41/94/896384194.db2.gz SUUPAYIFEAIDPE-DYESRHJHSA-N 2 2 383.492 3.881 20 5 GHBDLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173214768 906330535 /nfs/dbraw/zinc/33/05/35/906330535.db2.gz PZFLLQGAAGHILJ-KRWDZBQOSA-N 2 2 383.492 3.789 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001262218623 1046214899 /nfs/dbraw/zinc/21/48/99/1046214899.db2.gz NLYQOHGZBJVCGW-CYBMUJFWSA-N 2 2 393.285 3.546 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001262218623 1046214906 /nfs/dbraw/zinc/21/49/06/1046214906.db2.gz NLYQOHGZBJVCGW-CYBMUJFWSA-N 2 2 393.285 3.546 20 5 GHBDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000848529172 1057151678 /nfs/dbraw/zinc/15/16/78/1057151678.db2.gz KZERPNABFZIVMH-OAQYLSRUSA-N 2 2 380.492 3.907 20 5 GHBDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001473896469 1074194488 /nfs/dbraw/zinc/19/44/88/1074194488.db2.gz DGARHVLYESJJKH-INIZCTEOSA-N 2 2 399.495 3.755 20 5 GHBDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001473896469 1074194491 /nfs/dbraw/zinc/19/44/91/1074194491.db2.gz DGARHVLYESJJKH-INIZCTEOSA-N 2 2 399.495 3.755 20 5 GHBDLP CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000188370971 835812860 /nfs/dbraw/zinc/81/28/60/835812860.db2.gz VANQSZBYMCJADW-UHFFFAOYSA-N 2 2 393.447 3.875 20 5 GHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512475903 843952472 /nfs/dbraw/zinc/95/24/72/843952472.db2.gz WIPMMGUKEGSQKU-PZJWPPBQSA-N 2 2 394.519 3.548 20 5 GHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512475903 843952479 /nfs/dbraw/zinc/95/24/79/843952479.db2.gz WIPMMGUKEGSQKU-PZJWPPBQSA-N 2 2 394.519 3.548 20 5 GHBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000573741772 844669758 /nfs/dbraw/zinc/66/97/58/844669758.db2.gz LZCAKVANGJBGSF-KVULBXGLSA-N 2 2 383.414 3.977 20 5 GHBDLP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503408375 847686606 /nfs/dbraw/zinc/68/66/06/847686606.db2.gz STTRRAQVLBOULX-QGZVFWFLSA-N 2 2 384.480 3.906 20 5 GHBDLP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503408375 847686610 /nfs/dbraw/zinc/68/66/10/847686610.db2.gz STTRRAQVLBOULX-QGZVFWFLSA-N 2 2 384.480 3.906 20 5 GHBDLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435394971 850463060 /nfs/dbraw/zinc/46/30/60/850463060.db2.gz NCCBRCFATMWIAP-UHFFFAOYSA-N 2 2 391.475 3.631 20 5 GHBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)nc2c1 ZINC000518535128 853488823 /nfs/dbraw/zinc/48/88/23/853488823.db2.gz YDLGZNIWRSCXNL-KRWDZBQOSA-N 2 2 391.475 3.758 20 5 GHBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)nc2c1 ZINC000518535128 853488831 /nfs/dbraw/zinc/48/88/31/853488831.db2.gz YDLGZNIWRSCXNL-KRWDZBQOSA-N 2 2 391.475 3.758 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170321822 881355449 /nfs/dbraw/zinc/35/54/49/881355449.db2.gz BVBQGCLVNFALMU-XLIONFOSSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170321822 881355468 /nfs/dbraw/zinc/35/54/68/881355468.db2.gz BVBQGCLVNFALMU-XLIONFOSSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170307066 881383822 /nfs/dbraw/zinc/38/38/22/881383822.db2.gz DLAKGGJGJDMFPW-VGOFRKELSA-N 2 2 383.492 3.961 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000470203880 859216830 /nfs/dbraw/zinc/21/68/30/859216830.db2.gz FUNGPWHDZXBQJL-FYVGXUMQSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000470203880 859216841 /nfs/dbraw/zinc/21/68/41/859216841.db2.gz FUNGPWHDZXBQJL-FYVGXUMQSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000470203880 859216850 /nfs/dbraw/zinc/21/68/50/859216850.db2.gz FUNGPWHDZXBQJL-FYVGXUMQSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470203880 859216859 /nfs/dbraw/zinc/21/68/59/859216859.db2.gz FUNGPWHDZXBQJL-FYVGXUMQSA-N 2 2 395.503 3.567 20 5 GHBDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447592649 871901040 /nfs/dbraw/zinc/90/10/40/871901040.db2.gz MWFFUWOXWHHKLZ-PCCBWWKXSA-N 2 2 397.523 3.775 20 5 GHBDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447592649 871901045 /nfs/dbraw/zinc/90/10/45/871901045.db2.gz MWFFUWOXWHHKLZ-PCCBWWKXSA-N 2 2 397.523 3.775 20 5 GHBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)[nH+]c2)C1 ZINC000447603886 871965361 /nfs/dbraw/zinc/96/53/61/871965361.db2.gz ZFEWTRQFPOHJBF-QUCCMNQESA-N 2 2 381.480 3.620 20 5 GHBDLP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451973849 878796638 /nfs/dbraw/zinc/79/66/38/878796638.db2.gz RIKBZDLLBXMTTD-UHFFFAOYSA-N 2 2 399.495 3.507 20 5 GHBDLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000116396909 883410871 /nfs/dbraw/zinc/41/08/71/883410871.db2.gz CKPVOMZRWBLKMF-LRDDRELGSA-N 2 2 384.908 3.531 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](Cc3ccc(O)cc3)CC1)CC2 ZINC001172904465 905927658 /nfs/dbraw/zinc/92/76/58/905927658.db2.gz NTEHJLSZWOQUQG-FQEVSTJZSA-N 2 2 395.503 3.802 20 5 GHBDLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc[nH+]1 ZINC001172911375 906018676 /nfs/dbraw/zinc/01/86/76/906018676.db2.gz AYFPHZHTBBZMFB-GOSISDBHSA-N 2 2 396.491 3.504 20 5 GHBDLP C[NH+]1CCC([NH+]2CCC(Nc3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000561156021 933923064 /nfs/dbraw/zinc/92/30/64/933923064.db2.gz PRKIRWNMEFFBGN-UHFFFAOYSA-N 2 2 387.311 3.872 20 5 GHBDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000841036082 1028059745 /nfs/dbraw/zinc/05/97/45/1028059745.db2.gz JUKODKIGNBQKSX-QFIPXVFZSA-N 2 2 382.508 3.977 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001261237119 1045934923 /nfs/dbraw/zinc/93/49/23/1045934923.db2.gz HVVOLGZUDPOGJW-CYBMUJFWSA-N 2 2 382.386 3.802 20 5 GHBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001261237119 1045934928 /nfs/dbraw/zinc/93/49/28/1045934928.db2.gz HVVOLGZUDPOGJW-CYBMUJFWSA-N 2 2 382.386 3.802 20 5 GHBDLP C[C@@]12C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001460634937 1069044924 /nfs/dbraw/zinc/04/49/24/1069044924.db2.gz DQEMKLSCORSCOW-GOTSBHOMSA-N 2 2 395.503 3.818 20 5 GHBDLP C[NH+](C)CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000581278615 841000471 /nfs/dbraw/zinc/00/04/71/841000471.db2.gz URFSVOLFMPSZAI-UHFFFAOYSA-N 2 2 393.491 3.831 20 5 GHBDLP C[NH+](C)CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000581278615 841000476 /nfs/dbraw/zinc/00/04/76/841000476.db2.gz URFSVOLFMPSZAI-UHFFFAOYSA-N 2 2 393.491 3.831 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502339442 847771885 /nfs/dbraw/zinc/77/18/85/847771885.db2.gz JAJJCPBDQQMEIL-INIZCTEOSA-N 2 2 384.480 3.906 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502339442 847771891 /nfs/dbraw/zinc/77/18/91/847771891.db2.gz JAJJCPBDQQMEIL-INIZCTEOSA-N 2 2 384.480 3.906 20 5 GHBDLP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000048563300 853142307 /nfs/dbraw/zinc/14/23/07/853142307.db2.gz QAPQCBKOJMVANQ-UHFFFAOYSA-N 2 2 399.495 3.733 20 5 GHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000594993305 858360473 /nfs/dbraw/zinc/36/04/73/858360473.db2.gz NOEFKANIFYAJSH-MRXNPFEDSA-N 2 2 387.505 3.666 20 5 GHBDLP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619722881 872921954 /nfs/dbraw/zinc/92/19/54/872921954.db2.gz PJYKJIDDJIQRFM-QGZVFWFLSA-N 2 2 384.480 3.776 20 5 GHBDLP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619722881 872921963 /nfs/dbraw/zinc/92/19/63/872921963.db2.gz PJYKJIDDJIQRFM-QGZVFWFLSA-N 2 2 384.480 3.776 20 5 GHBDLP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000768214972 873168556 /nfs/dbraw/zinc/16/85/56/873168556.db2.gz KKKQPDXICDFASD-UHFFFAOYSA-N 2 2 377.872 3.821 20 5 GHBDLP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000768214972 873168566 /nfs/dbraw/zinc/16/85/66/873168566.db2.gz KKKQPDXICDFASD-UHFFFAOYSA-N 2 2 377.872 3.821 20 5 GHBDLP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001201770230 875850787 /nfs/dbraw/zinc/85/07/87/875850787.db2.gz QCRVTYAPXWQRBF-QFIPXVFZSA-N 2 2 399.491 3.547 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537982429 878621820 /nfs/dbraw/zinc/62/18/20/878621820.db2.gz YJDMDDUSTGBFGR-XMSQKQJNSA-N 2 2 382.508 3.813 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537982429 878621825 /nfs/dbraw/zinc/62/18/25/878621825.db2.gz YJDMDDUSTGBFGR-XMSQKQJNSA-N 2 2 382.508 3.813 20 5 GHBDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000453323425 880794177 /nfs/dbraw/zinc/79/41/77/880794177.db2.gz JNPSMBKIGCTNLK-INIZCTEOSA-N 2 2 396.491 3.868 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428554695 884975782 /nfs/dbraw/zinc/97/57/82/884975782.db2.gz SUMUBOQVITUZQE-UOCRBVKVSA-N 2 2 395.503 3.879 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428554695 884975796 /nfs/dbraw/zinc/97/57/96/884975796.db2.gz SUMUBOQVITUZQE-UOCRBVKVSA-N 2 2 395.503 3.879 20 5 GHBDLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815621677 894054120 /nfs/dbraw/zinc/05/41/20/894054120.db2.gz AGGDGHQNPKVGPJ-VCANKDNSSA-N 2 2 386.418 3.633 20 5 GHBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645174 901503674 /nfs/dbraw/zinc/50/36/74/901503674.db2.gz YWEMWDZKMYWGCA-SOFGYWHQSA-N 2 2 380.492 3.642 20 5 GHBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645174 901503690 /nfs/dbraw/zinc/50/36/90/901503690.db2.gz YWEMWDZKMYWGCA-SOFGYWHQSA-N 2 2 380.492 3.642 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000470203877 930450689 /nfs/dbraw/zinc/45/06/89/930450689.db2.gz FUNGPWHDZXBQJL-FMTUWFKASA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000470203877 930450694 /nfs/dbraw/zinc/45/06/94/930450694.db2.gz FUNGPWHDZXBQJL-FMTUWFKASA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000470203877 930450695 /nfs/dbraw/zinc/45/06/95/930450695.db2.gz FUNGPWHDZXBQJL-FMTUWFKASA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470203877 930450697 /nfs/dbraw/zinc/45/06/97/930450697.db2.gz FUNGPWHDZXBQJL-FMTUWFKASA-N 2 2 395.503 3.567 20 5 GHBDLP O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC001462478167 1070287684 /nfs/dbraw/zinc/28/76/84/1070287684.db2.gz ADEACIFPASFBLQ-LBPRGKRZSA-N 2 2 388.331 3.630 20 5 GHBDLP O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC001462478167 1070287696 /nfs/dbraw/zinc/28/76/96/1070287696.db2.gz ADEACIFPASFBLQ-LBPRGKRZSA-N 2 2 388.331 3.630 20 5 GHBDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001308303630 1049943745 /nfs/dbraw/zinc/94/37/45/1049943745.db2.gz OKQIRAAVEOZRJR-UHFFFAOYSA-N 2 2 387.480 3.834 20 5 GHBDLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001459862464 1064246987 /nfs/dbraw/zinc/24/69/87/1064246987.db2.gz DHDHKTGMOBEFON-JOCHJYFZSA-N 2 2 382.508 3.848 20 5 GHBDLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415100864 839206265 /nfs/dbraw/zinc/20/62/65/839206265.db2.gz AQKXHMNVOKAHAO-VQIMIIECSA-N 2 2 399.491 3.599 20 5 GHBDLP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415100864 839206277 /nfs/dbraw/zinc/20/62/77/839206277.db2.gz AQKXHMNVOKAHAO-VQIMIIECSA-N 2 2 399.491 3.599 20 5 GHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430956284 843252462 /nfs/dbraw/zinc/25/24/62/843252462.db2.gz NYKZDSUSZVZRQI-GOSISDBHSA-N 3 2 388.556 3.784 20 5 GHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430956284 843252479 /nfs/dbraw/zinc/25/24/79/843252479.db2.gz NYKZDSUSZVZRQI-GOSISDBHSA-N 3 2 388.556 3.784 20 5 GHBDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000421374514 846185407 /nfs/dbraw/zinc/18/54/07/846185407.db2.gz NSWZFAOUWRSHAD-UHFFFAOYSA-N 2 2 388.556 3.710 20 5 GHBDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000421374514 846185410 /nfs/dbraw/zinc/18/54/10/846185410.db2.gz NSWZFAOUWRSHAD-UHFFFAOYSA-N 2 2 388.556 3.710 20 5 GHBDLP CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393060 857284238 /nfs/dbraw/zinc/28/42/38/857284238.db2.gz HLCGYUQLMONWMJ-UHFFFAOYSA-N 2 2 384.480 3.737 20 5 GHBDLP CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393060 857284272 /nfs/dbraw/zinc/28/42/72/857284272.db2.gz HLCGYUQLMONWMJ-UHFFFAOYSA-N 2 2 384.480 3.737 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000595007258 858364553 /nfs/dbraw/zinc/36/45/53/858364553.db2.gz LJXNKHMHKSVALM-KRWDZBQOSA-N 2 2 383.492 3.961 20 5 GHBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000509443710 859458689 /nfs/dbraw/zinc/45/86/89/859458689.db2.gz FUQWCFJLXOEFPX-NRFANRHFSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000509443710 859458695 /nfs/dbraw/zinc/45/86/95/859458695.db2.gz FUQWCFJLXOEFPX-NRFANRHFSA-N 2 2 383.492 3.994 20 5 GHBDLP Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302199742 860917928 /nfs/dbraw/zinc/91/79/28/860917928.db2.gz URXGHPHTOGGNLA-UHFFFAOYSA-N 2 2 383.477 3.620 20 5 GHBDLP Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302199742 860917939 /nfs/dbraw/zinc/91/79/39/860917939.db2.gz URXGHPHTOGGNLA-UHFFFAOYSA-N 2 2 383.477 3.620 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000129783163 867394787 /nfs/dbraw/zinc/39/47/87/867394787.db2.gz UKIMFWOWVYHALC-PXNSSMCTSA-N 2 2 380.492 3.960 20 5 GHBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001168967720 871062509 /nfs/dbraw/zinc/06/25/09/871062509.db2.gz SPVJUEPJAJSRQO-YJBOKZPZSA-N 2 2 385.430 3.705 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598306 871914620 /nfs/dbraw/zinc/91/46/20/871914620.db2.gz UZNHVHXOEZKTSW-GGAORHGYSA-N 2 2 395.503 3.853 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598306 871914632 /nfs/dbraw/zinc/91/46/32/871914632.db2.gz UZNHVHXOEZKTSW-GGAORHGYSA-N 2 2 395.503 3.853 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537982427 878621891 /nfs/dbraw/zinc/62/18/91/878621891.db2.gz YJDMDDUSTGBFGR-GCJKJVERSA-N 2 2 382.508 3.813 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537982427 878621894 /nfs/dbraw/zinc/62/18/94/878621894.db2.gz YJDMDDUSTGBFGR-GCJKJVERSA-N 2 2 382.508 3.813 20 5 GHBDLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000116396915 883410719 /nfs/dbraw/zinc/41/07/19/883410719.db2.gz CKPVOMZRWBLKMF-BLLLJJGKSA-N 2 2 384.908 3.531 20 5 GHBDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809951900 888017954 /nfs/dbraw/zinc/01/79/54/888017954.db2.gz QLLORPVBGLPFGV-HNNXBMFYSA-N 2 2 390.311 3.834 20 5 GHBDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809951900 888017965 /nfs/dbraw/zinc/01/79/65/888017965.db2.gz QLLORPVBGLPFGV-HNNXBMFYSA-N 2 2 390.311 3.834 20 5 GHBDLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000872056964 891133573 /nfs/dbraw/zinc/13/35/73/891133573.db2.gz VLBILEGOCWGRQM-CQSZACIVSA-N 2 2 387.459 3.832 20 5 GHBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1C(F)(F)F ZINC000600778238 902903524 /nfs/dbraw/zinc/90/35/24/902903524.db2.gz XDWSJJGIODKIIG-CJNGLKHVSA-N 2 2 383.370 3.814 20 5 GHBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1C(F)(F)F ZINC000600778238 902903532 /nfs/dbraw/zinc/90/35/32/902903532.db2.gz XDWSJJGIODKIIG-CJNGLKHVSA-N 2 2 383.370 3.814 20 5 GHBDLP COc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000798497857 932672580 /nfs/dbraw/zinc/67/25/80/932672580.db2.gz GIJICKGHXFCQEW-QFIPXVFZSA-N 2 2 399.491 3.614 20 5 GHBDLP COc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000798497857 932672585 /nfs/dbraw/zinc/67/25/85/932672585.db2.gz GIJICKGHXFCQEW-QFIPXVFZSA-N 2 2 399.491 3.614 20 5 GHBDLP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427725 842463404 /nfs/dbraw/zinc/46/34/04/842463404.db2.gz DSRSDQPROVRZGH-PGRDOPGGSA-N 2 2 383.492 3.775 20 5 GHBDLP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000432427725 842463408 /nfs/dbraw/zinc/46/34/08/842463408.db2.gz DSRSDQPROVRZGH-PGRDOPGGSA-N 2 2 383.492 3.775 20 5 GHBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cnn(C)c1 ZINC000434013102 845727405 /nfs/dbraw/zinc/72/74/05/845727405.db2.gz SNUMCADMWJWVFY-GHTZIAJQSA-N 2 2 385.512 3.542 20 5 GHBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cnn(C)c1 ZINC000434013102 845727412 /nfs/dbraw/zinc/72/74/12/845727412.db2.gz SNUMCADMWJWVFY-GHTZIAJQSA-N 2 2 385.512 3.542 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cnn(C)c1 ZINC000434013102 845727417 /nfs/dbraw/zinc/72/74/17/845727417.db2.gz SNUMCADMWJWVFY-GHTZIAJQSA-N 2 2 385.512 3.542 20 5 GHBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cnn(C)c1 ZINC000434013102 845727423 /nfs/dbraw/zinc/72/74/23/845727423.db2.gz SNUMCADMWJWVFY-GHTZIAJQSA-N 2 2 385.512 3.542 20 5 GHBDLP COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000422561542 847693451 /nfs/dbraw/zinc/69/34/51/847693451.db2.gz LUVWXJZZPHHKFZ-UHFFFAOYSA-N 2 2 397.475 3.510 20 5 GHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000151307116 851891581 /nfs/dbraw/zinc/89/15/81/851891581.db2.gz JIQCSCOOHDBUFB-NRFANRHFSA-N 2 2 376.460 3.951 20 5 GHBDLP COc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596138763 858790231 /nfs/dbraw/zinc/79/02/31/858790231.db2.gz NGCZJLQMNOVCPZ-UHFFFAOYSA-N 2 2 396.919 3.619 20 5 GHBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125554138 860704258 /nfs/dbraw/zinc/70/42/58/860704258.db2.gz BGRQHUPFSGMFKZ-LJQANCHMSA-N 2 2 399.491 3.566 20 5 GHBDLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125554138 860704262 /nfs/dbraw/zinc/70/42/62/860704262.db2.gz BGRQHUPFSGMFKZ-LJQANCHMSA-N 2 2 399.491 3.566 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000766009539 860876852 /nfs/dbraw/zinc/87/68/52/860876852.db2.gz KEUTWXNYDRUKGB-HSZRJFAPSA-N 2 2 394.519 3.818 20 5 GHBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000766009539 860876859 /nfs/dbraw/zinc/87/68/59/860876859.db2.gz KEUTWXNYDRUKGB-HSZRJFAPSA-N 2 2 394.519 3.818 20 5 GHBDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878057 881766478 /nfs/dbraw/zinc/76/64/78/881766478.db2.gz RTGNOWYNZACFGU-HZPDHXFCSA-N 2 2 398.463 3.749 20 5 GHBDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447539652 871807301 /nfs/dbraw/zinc/80/73/01/871807301.db2.gz HMQUCJQMJOFELY-WDSOQIARSA-N 2 2 385.512 3.994 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598304 871914270 /nfs/dbraw/zinc/91/42/70/871914270.db2.gz UZNHVHXOEZKTSW-FYYLOGMGSA-N 2 2 395.503 3.853 20 5 GHBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000447598304 871914277 /nfs/dbraw/zinc/91/42/77/871914277.db2.gz UZNHVHXOEZKTSW-FYYLOGMGSA-N 2 2 395.503 3.853 20 5 GHBDLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102419355 873055591 /nfs/dbraw/zinc/05/55/91/873055591.db2.gz YNWXXMMNQLQZDX-UHFFFAOYSA-N 2 2 382.258 3.659 20 5 GHBDLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001196960977 873498668 /nfs/dbraw/zinc/49/86/68/873498668.db2.gz GUJVIRUQIJBLSH-ZRZAMGCNSA-N 2 2 395.503 3.818 20 5 GHBDLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001196960977 873498672 /nfs/dbraw/zinc/49/86/72/873498672.db2.gz GUJVIRUQIJBLSH-ZRZAMGCNSA-N 2 2 395.503 3.818 20 5 GHBDLP C[C@@]12C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001196960977 873498676 /nfs/dbraw/zinc/49/86/76/873498676.db2.gz GUJVIRUQIJBLSH-ZRZAMGCNSA-N 2 2 395.503 3.818 20 5 GHBDLP C[C@@]12C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001196960977 873498677 /nfs/dbraw/zinc/49/86/77/873498677.db2.gz GUJVIRUQIJBLSH-ZRZAMGCNSA-N 2 2 395.503 3.818 20 5 GHBDLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000116396911 883410533 /nfs/dbraw/zinc/41/05/33/883410533.db2.gz CKPVOMZRWBLKMF-WBMJQRKESA-N 2 2 384.908 3.531 20 5 GHBDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000565460636 895647253 /nfs/dbraw/zinc/64/72/53/895647253.db2.gz QFMRKLIWPIKQST-CYBMUJFWSA-N 2 2 376.420 3.816 20 5 GHBDLP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569814694 898966700 /nfs/dbraw/zinc/96/67/00/898966700.db2.gz IOQJFYOZPRLZOA-UHFFFAOYSA-N 2 2 375.494 3.524 20 5 GHBDLP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000153017843 904321487 /nfs/dbraw/zinc/32/14/87/904321487.db2.gz NAGKZTMNRPYVCB-QGZVFWFLSA-N 2 2 399.491 3.677 20 5 GHBDLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H](C)O1 ZINC000558942202 1017317645 /nfs/dbraw/zinc/31/76/45/1017317645.db2.gz UYOHZKGDPAXTDP-HOTGVXAUSA-N 2 2 389.521 3.912 20 5 GHBDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605677 1040377247 /nfs/dbraw/zinc/37/72/47/1040377247.db2.gz CFKIUIZRYSSBRK-JOCHJYFZSA-N 2 2 383.467 3.798 20 5 GHBDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605677 1040377267 /nfs/dbraw/zinc/37/72/67/1040377267.db2.gz CFKIUIZRYSSBRK-JOCHJYFZSA-N 2 2 383.467 3.798 20 5 GHBDLP c1cc2ccc3ccc(C[N@@H+]4CCO[C@@]5(C4)C[NH2+]CCOC5)c4ccc(c1)c2c34 ZINC001234999637 1040494878 /nfs/dbraw/zinc/49/48/78/1040494878.db2.gz SIUOFSDCAPYIPI-RUZDIDTESA-N 2 2 386.495 3.775 20 5 GHBDLP c1cc2ccc3ccc(C[N@H+]4CCO[C@@]5(C4)C[NH2+]CCOC5)c4ccc(c1)c2c34 ZINC001234999637 1040494881 /nfs/dbraw/zinc/49/48/81/1040494881.db2.gz SIUOFSDCAPYIPI-RUZDIDTESA-N 2 2 386.495 3.775 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134900276 836205975 /nfs/dbraw/zinc/20/59/75/836205975.db2.gz QGQYODRYPFXQNH-IDHHARJASA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134900276 836205986 /nfs/dbraw/zinc/20/59/86/836205986.db2.gz QGQYODRYPFXQNH-IDHHARJASA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134900276 836205996 /nfs/dbraw/zinc/20/59/96/836205996.db2.gz QGQYODRYPFXQNH-IDHHARJASA-N 2 2 397.479 3.655 20 5 GHBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134900276 836206003 /nfs/dbraw/zinc/20/60/03/836206003.db2.gz QGQYODRYPFXQNH-IDHHARJASA-N 2 2 397.479 3.655 20 5 GHBDLP O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000510800843 843509501 /nfs/dbraw/zinc/50/95/01/843509501.db2.gz YBNJYXWZBCTQTE-UHFFFAOYSA-N 2 2 376.407 3.785 20 5 GHBDLP C[NH+]1CCC([NH+]2CCC(Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000123036382 855308209 /nfs/dbraw/zinc/30/82/09/855308209.db2.gz VKGPWXMNXYWIHC-UHFFFAOYSA-N 2 2 387.311 3.872 20 5 GHBDLP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000554078090 855777011 /nfs/dbraw/zinc/77/70/11/855777011.db2.gz BYNHLRSZUUUTPY-UHFFFAOYSA-N 2 2 399.495 3.507 20 5 GHBDLP COc1ccc(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)c([N+](=O)[O-])c1 ZINC000092648689 860095197 /nfs/dbraw/zinc/09/51/97/860095197.db2.gz RLJIMHLGUYGOLT-UHFFFAOYSA-N 2 2 382.420 3.897 20 5 GHBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001168967718 871062556 /nfs/dbraw/zinc/06/25/56/871062556.db2.gz SPVJUEPJAJSRQO-MAUKXSAKSA-N 2 2 385.430 3.705 20 5 GHBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001168974632 871072077 /nfs/dbraw/zinc/07/20/77/871072077.db2.gz RKRSPZPXYXUIOE-AVRDEDQJSA-N 2 2 379.504 3.743 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000776586210 878231728 /nfs/dbraw/zinc/23/17/28/878231728.db2.gz KTGRXOIUYSGXKI-ACIOBRDBSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000776586210 878231747 /nfs/dbraw/zinc/23/17/47/878231747.db2.gz KTGRXOIUYSGXKI-ACIOBRDBSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000776586210 878231750 /nfs/dbraw/zinc/23/17/50/878231750.db2.gz KTGRXOIUYSGXKI-ACIOBRDBSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000776586210 878231765 /nfs/dbraw/zinc/23/17/65/878231765.db2.gz KTGRXOIUYSGXKI-ACIOBRDBSA-N 2 2 395.503 3.615 20 5 GHBDLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060830 891133516 /nfs/dbraw/zinc/13/35/16/891133516.db2.gz URGAIABUWOZMOQ-CRAIPNDOSA-N 2 2 387.455 3.541 20 5 GHBDLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060830 891133519 /nfs/dbraw/zinc/13/35/19/891133519.db2.gz URGAIABUWOZMOQ-CRAIPNDOSA-N 2 2 387.455 3.541 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001173192868 906274878 /nfs/dbraw/zinc/27/48/78/906274878.db2.gz NCRWRXKIIGSDAT-OAHLLOKOSA-N 2 2 398.438 3.991 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001173192868 906274887 /nfs/dbraw/zinc/27/48/87/906274887.db2.gz NCRWRXKIIGSDAT-OAHLLOKOSA-N 2 2 398.438 3.991 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000246258599 910206595 /nfs/dbraw/zinc/20/65/95/910206595.db2.gz KOMATUCVFWACAS-MDNUFGMLSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000246258599 910206612 /nfs/dbraw/zinc/20/66/12/910206612.db2.gz KOMATUCVFWACAS-MDNUFGMLSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000246258599 910206628 /nfs/dbraw/zinc/20/66/28/910206628.db2.gz KOMATUCVFWACAS-MDNUFGMLSA-N 2 2 395.503 3.615 20 5 GHBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000246258599 910206645 /nfs/dbraw/zinc/20/66/45/910206645.db2.gz KOMATUCVFWACAS-MDNUFGMLSA-N 2 2 395.503 3.615 20 5 GHBDLP C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001322363131 1056651423 /nfs/dbraw/zinc/65/14/23/1056651423.db2.gz JAPKZJTWERRXNI-OAHLLOKOSA-N 2 2 396.451 3.666 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000430219734 835232437 /nfs/dbraw/zinc/23/24/37/835232437.db2.gz PEOVZWXQHKGNQZ-YPGOJHLTSA-N 2 2 383.492 3.850 20 5 GHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000430219734 835232440 /nfs/dbraw/zinc/23/24/40/835232440.db2.gz PEOVZWXQHKGNQZ-YPGOJHLTSA-N 2 2 383.492 3.850 20 5 GHBDLP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415050468 839118579 /nfs/dbraw/zinc/11/85/79/839118579.db2.gz CUVJXGXOZLQBKD-OPAMFIHVSA-N 2 2 399.491 3.599 20 5 GHBDLP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415050468 839118584 /nfs/dbraw/zinc/11/85/84/839118584.db2.gz CUVJXGXOZLQBKD-OPAMFIHVSA-N 2 2 399.491 3.599 20 5 GHBDLP CCOc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768959 839970238 /nfs/dbraw/zinc/97/02/38/839970238.db2.gz YWXSQMCSYUXRSF-RTWAWAEBSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768959 839970242 /nfs/dbraw/zinc/97/02/42/839970242.db2.gz YWXSQMCSYUXRSF-RTWAWAEBSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768959 839970249 /nfs/dbraw/zinc/97/02/49/839970249.db2.gz YWXSQMCSYUXRSF-RTWAWAEBSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579768959 839970253 /nfs/dbraw/zinc/97/02/53/839970253.db2.gz YWXSQMCSYUXRSF-RTWAWAEBSA-N 2 2 395.503 3.947 20 5 GHBDLP CCOc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000434739895 851606813 /nfs/dbraw/zinc/60/68/13/851606813.db2.gz UJDWLAYORMDUKG-UHFFFAOYSA-N 2 2 384.480 3.906 20 5 GHBDLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611144 856314495 /nfs/dbraw/zinc/31/44/95/856314495.db2.gz WNPQTEALCPAPBS-WOJBJXKFSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611144 856314508 /nfs/dbraw/zinc/31/45/08/856314508.db2.gz WNPQTEALCPAPBS-WOJBJXKFSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611144 856314519 /nfs/dbraw/zinc/31/45/19/856314519.db2.gz WNPQTEALCPAPBS-WOJBJXKFSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611144 856314533 /nfs/dbraw/zinc/31/45/33/856314533.db2.gz WNPQTEALCPAPBS-WOJBJXKFSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170321821 881355009 /nfs/dbraw/zinc/35/50/09/881355009.db2.gz BVBQGCLVNFALMU-PXNSSMCTSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170321821 881355028 /nfs/dbraw/zinc/35/50/28/881355028.db2.gz BVBQGCLVNFALMU-PXNSSMCTSA-N 2 2 383.492 3.789 20 5 GHBDLP O=[N+]([O-])c1sc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000602515563 860068199 /nfs/dbraw/zinc/06/81/99/860068199.db2.gz PSKDEGJJCSRNQZ-UHFFFAOYSA-N 2 2 397.298 3.572 20 5 GHBDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689945 867068390 /nfs/dbraw/zinc/06/83/90/867068390.db2.gz PRXQRRRPXUGASZ-HOTGVXAUSA-N 2 2 393.491 3.717 20 5 GHBDLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408748 868188298 /nfs/dbraw/zinc/18/82/98/868188298.db2.gz MCHFRCRHXXPGHD-LJQANCHMSA-N 2 2 393.491 3.746 20 5 GHBDLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408748 868188310 /nfs/dbraw/zinc/18/83/10/868188310.db2.gz MCHFRCRHXXPGHD-LJQANCHMSA-N 2 2 393.491 3.746 20 5 GHBDLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408748 868188320 /nfs/dbraw/zinc/18/83/20/868188320.db2.gz MCHFRCRHXXPGHD-LJQANCHMSA-N 2 2 393.491 3.746 20 5 GHBDLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743408748 868188329 /nfs/dbraw/zinc/18/83/29/868188329.db2.gz MCHFRCRHXXPGHD-LJQANCHMSA-N 2 2 393.491 3.746 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575166357 901149318 /nfs/dbraw/zinc/14/93/18/901149318.db2.gz FRGYWELMTYTHAY-ICSRJNTNSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575166357 901149324 /nfs/dbraw/zinc/14/93/24/901149324.db2.gz FRGYWELMTYTHAY-ICSRJNTNSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166357 901149328 /nfs/dbraw/zinc/14/93/28/901149328.db2.gz FRGYWELMTYTHAY-ICSRJNTNSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166357 901149331 /nfs/dbraw/zinc/14/93/31/901149331.db2.gz FRGYWELMTYTHAY-ICSRJNTNSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)c1F ZINC001173183246 906264446 /nfs/dbraw/zinc/26/44/46/906264446.db2.gz XCSZTQUIPQVCMU-HUUCEWRRSA-N 2 2 379.476 3.670 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)c1F ZINC001173183246 906264464 /nfs/dbraw/zinc/26/44/64/906264464.db2.gz XCSZTQUIPQVCMU-HUUCEWRRSA-N 2 2 379.476 3.670 20 5 GHBDLP C[C@H](C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12)n1cc[nH+]c1 ZINC001177926907 908801338 /nfs/dbraw/zinc/80/13/38/908801338.db2.gz QKDRWGAEWMTZIR-CYBMUJFWSA-N 2 2 383.411 3.961 20 5 GHBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1Br ZINC000123011057 840913170 /nfs/dbraw/zinc/91/31/70/840913170.db2.gz GOKSCQLCCZXEDW-UHFFFAOYSA-N 2 2 382.302 3.665 20 5 GHBDLP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279593 843951038 /nfs/dbraw/zinc/95/10/38/843951038.db2.gz UDIGWINWRYTRDQ-FYYLOGMGSA-N 2 2 395.503 3.544 20 5 GHBDLP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433279593 843951044 /nfs/dbraw/zinc/95/10/44/843951044.db2.gz UDIGWINWRYTRDQ-FYYLOGMGSA-N 2 2 395.503 3.544 20 5 GHBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000420913163 847532065 /nfs/dbraw/zinc/53/20/65/847532065.db2.gz AKINWTVJFLVJKS-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000420913163 847532071 /nfs/dbraw/zinc/53/20/71/847532071.db2.gz AKINWTVJFLVJKS-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429423693 859336332 /nfs/dbraw/zinc/33/63/32/859336332.db2.gz YVJKCARLDKZNNH-KNQAVFIVSA-N 2 2 397.519 3.797 20 5 GHBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429423693 859336341 /nfs/dbraw/zinc/33/63/41/859336341.db2.gz YVJKCARLDKZNNH-KNQAVFIVSA-N 2 2 397.519 3.797 20 5 GHBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429423690 859336612 /nfs/dbraw/zinc/33/66/12/859336612.db2.gz YVJKCARLDKZNNH-DENIHFKCSA-N 2 2 397.519 3.797 20 5 GHBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429423690 859336623 /nfs/dbraw/zinc/33/66/23/859336623.db2.gz YVJKCARLDKZNNH-DENIHFKCSA-N 2 2 397.519 3.797 20 5 GHBDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160870 859855295 /nfs/dbraw/zinc/85/52/95/859855295.db2.gz MQFIUKCNSKKSNX-ILWGZMRPSA-N 2 2 383.492 3.519 20 5 GHBDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000484160870 859855301 /nfs/dbraw/zinc/85/53/01/859855301.db2.gz MQFIUKCNSKKSNX-ILWGZMRPSA-N 2 2 383.492 3.519 20 5 GHBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539687544 869599835 /nfs/dbraw/zinc/59/98/35/869599835.db2.gz GVUAFPZQDKZJKV-KRWDZBQOSA-N 2 2 397.523 3.953 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249044458 885856899 /nfs/dbraw/zinc/85/68/99/885856899.db2.gz VSCQNZWLBRFHCB-ACDBMABISA-N 2 2 381.476 3.889 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249044458 885856914 /nfs/dbraw/zinc/85/69/14/885856914.db2.gz VSCQNZWLBRFHCB-ACDBMABISA-N 2 2 381.476 3.889 20 5 GHBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000872049305 891132048 /nfs/dbraw/zinc/13/20/48/891132048.db2.gz SJCPJVZBJPXNCR-GDIGMMSISA-N 2 2 393.553 3.735 20 5 GHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000533846528 893230499 /nfs/dbraw/zinc/23/04/99/893230499.db2.gz ORDQMQCZEJVBMB-UHFFFAOYSA-N 2 2 398.507 3.732 20 5 GHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000533846528 893230516 /nfs/dbraw/zinc/23/05/16/893230516.db2.gz ORDQMQCZEJVBMB-UHFFFAOYSA-N 2 2 398.507 3.732 20 5 GHBDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000565460637 895647301 /nfs/dbraw/zinc/64/73/01/895647301.db2.gz QFMRKLIWPIKQST-ZDUSSCGKSA-N 2 2 376.420 3.816 20 5 GHBDLP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000291091878 914968928 /nfs/dbraw/zinc/96/89/28/914968928.db2.gz HXJFFQSFCUPLPI-UHFFFAOYSA-N 2 2 379.810 3.797 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCC3(F)F)o2)c(Cl)c1 ZINC000903955920 923435741 /nfs/dbraw/zinc/43/57/41/923435741.db2.gz CDMGEEOMPSIGPF-LLVKDONJSA-N 2 2 385.798 3.843 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000470203881 930450317 /nfs/dbraw/zinc/45/03/17/930450317.db2.gz FUNGPWHDZXBQJL-UOCRBVKVSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000470203881 930450321 /nfs/dbraw/zinc/45/03/21/930450321.db2.gz FUNGPWHDZXBQJL-UOCRBVKVSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000470203881 930450326 /nfs/dbraw/zinc/45/03/26/930450326.db2.gz FUNGPWHDZXBQJL-UOCRBVKVSA-N 2 2 395.503 3.567 20 5 GHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000470203881 930450330 /nfs/dbraw/zinc/45/03/30/930450330.db2.gz FUNGPWHDZXBQJL-UOCRBVKVSA-N 2 2 395.503 3.567 20 5 GHBDLP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218621283 1031007190 /nfs/dbraw/zinc/00/71/90/1031007190.db2.gz QPGMPVSWCDXGBJ-QFIPXVFZSA-N 2 2 381.479 3.807 20 5 GHBDLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232221902 1035170269 /nfs/dbraw/zinc/17/02/69/1035170269.db2.gz GEHBVWYVKHNTTP-UHFFFAOYSA-N 2 2 390.531 3.858 20 5 GHBDLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232221902 1035170272 /nfs/dbraw/zinc/17/02/72/1035170272.db2.gz GEHBVWYVKHNTTP-UHFFFAOYSA-N 2 2 390.531 3.858 20 5 GHBDLP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC001246670820 1037537244 /nfs/dbraw/zinc/53/72/44/1037537244.db2.gz GCYWEIVGNUBAOT-AMHTUMDSSA-N 2 2 395.503 3.756 20 5 GHBDLP COc1ccc(C[C@H](C)[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c([N+](=O)[O-])c1 ZINC001246670820 1037537253 /nfs/dbraw/zinc/53/72/53/1037537253.db2.gz GCYWEIVGNUBAOT-AMHTUMDSSA-N 2 2 395.503 3.756 20 5 GHBDLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001254548575 1040316206 /nfs/dbraw/zinc/31/62/06/1040316206.db2.gz OBHIRWIETQFDMK-QGZVFWFLSA-N 2 2 383.492 3.789 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000548931735 836243169 /nfs/dbraw/zinc/24/31/69/836243169.db2.gz ZFESLDDJTVGBIN-NRFANRHFSA-N 2 2 383.492 3.994 20 5 GHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000548931735 836243182 /nfs/dbraw/zinc/24/31/82/836243182.db2.gz ZFESLDDJTVGBIN-NRFANRHFSA-N 2 2 383.492 3.994 20 5 GHBDLP C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185700651 861209846 /nfs/dbraw/zinc/20/98/46/861209846.db2.gz FRHZGIPVTBBZHR-RDJZCZTQSA-N 2 2 384.480 3.992 20 5 GHBDLP C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700651 861209861 /nfs/dbraw/zinc/20/98/61/861209861.db2.gz FRHZGIPVTBBZHR-RDJZCZTQSA-N 2 2 384.480 3.992 20 5 GHBDLP Cc1c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000430934302 843198600 /nfs/dbraw/zinc/19/86/00/843198600.db2.gz LPWAMUREHGDDOT-UHFFFAOYSA-N 3 2 388.556 3.531 20 5 GHBDLP Cc1c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000430934302 843198609 /nfs/dbraw/zinc/19/86/09/843198609.db2.gz LPWAMUREHGDDOT-UHFFFAOYSA-N 3 2 388.556 3.531 20 5 GHBDLP O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000420938727 847557730 /nfs/dbraw/zinc/55/77/30/847557730.db2.gz PMJWWPBVUCYYPF-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000420938727 847557737 /nfs/dbraw/zinc/55/77/37/847557737.db2.gz PMJWWPBVUCYYPF-UHFFFAOYSA-N 2 2 381.476 3.592 20 5 GHBDLP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503408374 847686867 /nfs/dbraw/zinc/68/68/67/847686867.db2.gz STTRRAQVLBOULX-KRWDZBQOSA-N 2 2 384.480 3.906 20 5 GHBDLP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503408374 847686873 /nfs/dbraw/zinc/68/68/73/847686873.db2.gz STTRRAQVLBOULX-KRWDZBQOSA-N 2 2 384.480 3.906 20 5 GHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440647 850529229 /nfs/dbraw/zinc/52/92/29/850529229.db2.gz YMZMEXSEWXQKPI-YZTRRJNXSA-N 2 2 384.505 3.709 20 5 GHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440647 850529238 /nfs/dbraw/zinc/52/92/38/850529238.db2.gz YMZMEXSEWXQKPI-YZTRRJNXSA-N 2 2 384.505 3.709 20 5 GHBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000108427953 853069044 /nfs/dbraw/zinc/06/90/44/853069044.db2.gz QMLGLOAQLLVZGS-GOSISDBHSA-N 2 2 399.491 3.614 20 5 GHBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000108427953 853069056 /nfs/dbraw/zinc/06/90/56/853069056.db2.gz QMLGLOAQLLVZGS-GOSISDBHSA-N 2 2 399.491 3.614 20 5 GHBDLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000116396664 858958920 /nfs/dbraw/zinc/95/89/20/858958920.db2.gz LEORBUBMLRLQPT-WBMJQRKESA-N 2 2 384.908 3.531 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170355421 881401149 /nfs/dbraw/zinc/40/11/49/881401149.db2.gz DPLPZEVLKKVMGC-MRXNPFEDSA-N 2 2 375.513 3.873 20 5 GHBDLP COc1ccc(C[C@@H](C)[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170355421 881401163 /nfs/dbraw/zinc/40/11/63/881401163.db2.gz DPLPZEVLKKVMGC-MRXNPFEDSA-N 2 2 375.513 3.873 20 5 GHBDLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649928 867004785 /nfs/dbraw/zinc/00/47/85/867004785.db2.gz LTFRNXIZMHQJKO-MRXNPFEDSA-N 2 2 385.512 3.948 20 5 GHBDLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649928 867004799 /nfs/dbraw/zinc/00/47/99/867004799.db2.gz LTFRNXIZMHQJKO-MRXNPFEDSA-N 2 2 385.512 3.948 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495438010 885807400 /nfs/dbraw/zinc/80/74/00/885807400.db2.gz FTWZBSFZSVSXLI-BEFAXECRSA-N 2 2 388.899 3.686 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495438010 885807406 /nfs/dbraw/zinc/80/74/06/885807406.db2.gz FTWZBSFZSVSXLI-BEFAXECRSA-N 2 2 388.899 3.686 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249044462 885862836 /nfs/dbraw/zinc/86/28/36/885862836.db2.gz VSCQNZWLBRFHCB-OWZKRDHZSA-N 2 2 381.476 3.889 20 5 GHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249044462 885862847 /nfs/dbraw/zinc/86/28/47/885862847.db2.gz VSCQNZWLBRFHCB-OWZKRDHZSA-N 2 2 381.476 3.889 20 5 GHBDLP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532538193 885936893 /nfs/dbraw/zinc/93/68/93/885936893.db2.gz LRLODJMQOOPPIG-AWEZNQCLSA-N 2 2 396.919 3.627 20 5 GHBDLP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532538193 885936907 /nfs/dbraw/zinc/93/69/07/885936907.db2.gz LRLODJMQOOPPIG-AWEZNQCLSA-N 2 2 396.919 3.627 20 5 GHBDLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402872 894939160 /nfs/dbraw/zinc/93/91/60/894939160.db2.gz ARZWGORQSKLDMK-WOJBJXKFSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402872 894939163 /nfs/dbraw/zinc/93/91/63/894939163.db2.gz ARZWGORQSKLDMK-WOJBJXKFSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402872 894939170 /nfs/dbraw/zinc/93/91/70/894939170.db2.gz ARZWGORQSKLDMK-WOJBJXKFSA-N 2 2 381.476 3.557 20 5 GHBDLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000564402872 894939171 /nfs/dbraw/zinc/93/91/71/894939171.db2.gz ARZWGORQSKLDMK-WOJBJXKFSA-N 2 2 381.476 3.557 20 5 GHBDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1)c1ccccc1 ZINC000819066074 896383578 /nfs/dbraw/zinc/38/35/78/896383578.db2.gz SUUPAYIFEAIDPE-UTKZUKDTSA-N 2 2 383.492 3.881 20 5 GHBDLP CC(C)[N@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C1CC[NH+](C)CC1 ZINC001173019425 906096473 /nfs/dbraw/zinc/09/64/73/906096473.db2.gz LAZMZQVXFMJWRT-UHFFFAOYSA-N 2 2 396.482 3.646 20 5 GHBDLP CC(C)[N@@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C1CC[NH+](C)CC1 ZINC001173019425 906096481 /nfs/dbraw/zinc/09/64/81/906096481.db2.gz LAZMZQVXFMJWRT-UHFFFAOYSA-N 2 2 396.482 3.646 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)c1F ZINC001173182487 906262897 /nfs/dbraw/zinc/26/28/97/906262897.db2.gz SYTOKKMMFAASPU-WBVHZDCISA-N 2 2 393.503 3.918 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)c1F ZINC001173182487 906262911 /nfs/dbraw/zinc/26/29/11/906262911.db2.gz SYTOKKMMFAASPU-WBVHZDCISA-N 2 2 393.503 3.918 20 5 GHBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001173218623 906296255 /nfs/dbraw/zinc/29/62/55/906296255.db2.gz RBJXEVBUSFJOBP-CQSZACIVSA-N 2 2 394.566 3.567 20 5 GHBDLP [NH3+][C@@H]1C[C@@H](O)C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958478 1033184448 /nfs/dbraw/zinc/18/44/48/1033184448.db2.gz WPBHQQSSRPJEPP-HUUCEWRRSA-N 2 2 384.483 3.850 20 5 GHBDLP [NH3+][C@@H]1C[C@@H](O)C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001204958478 1033184452 /nfs/dbraw/zinc/18/44/52/1033184452.db2.gz WPBHQQSSRPJEPP-HUUCEWRRSA-N 2 2 384.483 3.850 20 5 GHBDLP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001353157649 1065717648 /nfs/dbraw/zinc/71/76/48/1065717648.db2.gz NJUUDXSIDQRYAC-UHFFFAOYSA-N 2 2 393.447 3.875 20 5 GHBDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC001460319186 1068923532 /nfs/dbraw/zinc/92/35/32/1068923532.db2.gz UQKRHDKJTYLBAJ-IYBDPMFKSA-N 2 2 389.521 3.898 20 5 GHBDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC001460319186 1068923539 /nfs/dbraw/zinc/92/35/39/1068923539.db2.gz UQKRHDKJTYLBAJ-IYBDPMFKSA-N 2 2 389.521 3.898 20 5 GHBDLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC001460319186 1068923541 /nfs/dbraw/zinc/92/35/41/1068923541.db2.gz UQKRHDKJTYLBAJ-IYBDPMFKSA-N 2 2 389.521 3.898 20 5 GHBDLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC001460319186 1068923546 /nfs/dbraw/zinc/92/35/46/1068923546.db2.gz UQKRHDKJTYLBAJ-IYBDPMFKSA-N 2 2 389.521 3.898 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502339443 847772454 /nfs/dbraw/zinc/77/24/54/847772454.db2.gz JAJJCPBDQQMEIL-MRXNPFEDSA-N 2 2 384.480 3.906 20 5 GHBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502339443 847772460 /nfs/dbraw/zinc/77/24/60/847772460.db2.gz JAJJCPBDQQMEIL-MRXNPFEDSA-N 2 2 384.480 3.906 20 5 GHBDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC[NH2+]1 ZINC000423414564 849915827 /nfs/dbraw/zinc/91/58/27/849915827.db2.gz CHZCGFJOKCILRB-IFXJQAMLSA-N 2 2 375.494 3.743 20 5 GHBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000451049034 877280430 /nfs/dbraw/zinc/28/04/30/877280430.db2.gz YIPMFFUHUKOQRO-UHFFFAOYSA-N 2 2 399.495 3.507 20 5 GHBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H](C)O1 ZINC000520209892 880220865 /nfs/dbraw/zinc/22/08/65/880220865.db2.gz NUZCZOHZESDJHS-IYBDPMFKSA-N 2 2 389.521 3.912 20 5 GHBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H](C)O1 ZINC000520209892 880220879 /nfs/dbraw/zinc/22/08/79/880220879.db2.gz NUZCZOHZESDJHS-IYBDPMFKSA-N 2 2 389.521 3.912 20 5 GHBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c[nH+]cc2-c2cccc(C[NH3+])c2)c1F ZINC001173178031 906254834 /nfs/dbraw/zinc/25/48/34/906254834.db2.gz GLYGWMODDXXYMB-ZDUSSCGKSA-N 2 2 384.411 3.868 20 5 GHBDLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001459862510 1064247260 /nfs/dbraw/zinc/24/72/60/1064247260.db2.gz DHDHKTGMOBEFON-QFIPXVFZSA-N 2 2 382.508 3.848 20 5 GHBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414797663 838838668 /nfs/dbraw/zinc/83/86/68/838838668.db2.gz PHIPNUDHGPTVII-OAHLLOKOSA-N 2 2 382.258 3.690 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020211 839952182 /nfs/dbraw/zinc/95/21/82/839952182.db2.gz NUOYCWHAKXPYJW-CXAGYDPISA-N 2 2 391.493 3.543 20 5 GHBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000893020211 839952192 /nfs/dbraw/zinc/95/21/92/839952192.db2.gz NUOYCWHAKXPYJW-CXAGYDPISA-N 2 2 391.493 3.543 20 5 GHBDLP C[NH+]1CCC(CNc2ccc3ncccc3c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000301450953 854755390 /nfs/dbraw/zinc/75/53/90/854755390.db2.gz LIYQTOVJRVVCAH-UHFFFAOYSA-N 2 2 383.496 3.505 20 5 GHBDLP O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000173798257 857153622 /nfs/dbraw/zinc/15/36/22/857153622.db2.gz PAOFHRCRCPMTGH-UHFFFAOYSA-N 2 2 378.432 3.824 20 5 GHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060981 858133651 /nfs/dbraw/zinc/13/36/51/858133651.db2.gz AJVREFHKGYBXES-UHFFFAOYSA-N 2 2 399.495 3.621 20 5 GHBDLP CC(C)([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429259978 858846353 /nfs/dbraw/zinc/84/63/53/858846353.db2.gz LUSFXXPJUYVZOI-UHFFFAOYSA-N 2 2 382.508 3.632 20 5 GHBDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878055 881766137 /nfs/dbraw/zinc/76/61/37/881766137.db2.gz RTGNOWYNZACFGU-HOTGVXAUSA-N 2 2 398.463 3.749 20 5 GHBDLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409218 868187264 /nfs/dbraw/zinc/18/72/64/868187264.db2.gz SNDYFJPSXCCDLW-LJQANCHMSA-N 2 2 393.491 3.746 20 5 GHBDLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409218 868187270 /nfs/dbraw/zinc/18/72/70/868187270.db2.gz SNDYFJPSXCCDLW-LJQANCHMSA-N 2 2 393.491 3.746 20 5 GHBDLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409218 868187279 /nfs/dbraw/zinc/18/72/79/868187279.db2.gz SNDYFJPSXCCDLW-LJQANCHMSA-N 2 2 393.491 3.746 20 5 GHBDLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743409218 868187285 /nfs/dbraw/zinc/18/72/85/868187285.db2.gz SNDYFJPSXCCDLW-LJQANCHMSA-N 2 2 393.491 3.746 20 5 GHBDLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584283 870467063 /nfs/dbraw/zinc/46/70/63/870467063.db2.gz BMTRUIMWFMKHML-VXKWHMMOSA-N 2 2 383.492 3.927 20 5 GHBDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000617584283 870467075 /nfs/dbraw/zinc/46/70/75/870467075.db2.gz BMTRUIMWFMKHML-VXKWHMMOSA-N 2 2 383.492 3.927 20 5 GHBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001168974633 871071670 /nfs/dbraw/zinc/07/16/70/871071670.db2.gz RKRSPZPXYXUIOE-GCJKJVERSA-N 2 2 379.504 3.743 20 5 GHBDLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000776592473 878304454 /nfs/dbraw/zinc/30/44/54/878304454.db2.gz OTUMDSKKGMMHOH-ZPMCFJSWSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000776592473 878304468 /nfs/dbraw/zinc/30/44/68/878304468.db2.gz OTUMDSKKGMMHOH-ZPMCFJSWSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1Cc1ccccc1 ZINC000776592473 878304483 /nfs/dbraw/zinc/30/44/83/878304483.db2.gz OTUMDSKKGMMHOH-ZPMCFJSWSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1Cc1ccccc1 ZINC000776592473 878304498 /nfs/dbraw/zinc/30/44/98/878304498.db2.gz OTUMDSKKGMMHOH-ZPMCFJSWSA-N 2 2 383.492 3.613 20 5 GHBDLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060834 891133552 /nfs/dbraw/zinc/13/35/52/891133552.db2.gz URGAIABUWOZMOQ-QAPCUYQASA-N 2 2 387.455 3.541 20 5 GHBDLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060834 891133554 /nfs/dbraw/zinc/13/35/54/891133554.db2.gz URGAIABUWOZMOQ-QAPCUYQASA-N 2 2 387.455 3.541 20 5 GHBDLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060835 891133916 /nfs/dbraw/zinc/13/39/16/891133916.db2.gz URGAIABUWOZMOQ-YJBOKZPZSA-N 2 2 387.455 3.541 20 5 GHBDLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872060835 891133923 /nfs/dbraw/zinc/13/39/23/891133923.db2.gz URGAIABUWOZMOQ-YJBOKZPZSA-N 2 2 387.455 3.541 20 5 GHBDLP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000153017952 904321837 /nfs/dbraw/zinc/32/18/37/904321837.db2.gz NAGKZTMNRPYVCB-KRWDZBQOSA-N 2 2 399.491 3.677 20 5 GHBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191499849 908632425 /nfs/dbraw/zinc/63/24/25/908632425.db2.gz QEKFBYRKRKCZNS-UHFFFAOYSA-N 2 2 383.452 3.921 20 5 GHBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191499849 908632432 /nfs/dbraw/zinc/63/24/32/908632432.db2.gz QEKFBYRKRKCZNS-UHFFFAOYSA-N 2 2 383.452 3.921 20 5 GHBDLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000903126952 922794854 /nfs/dbraw/zinc/79/48/54/922794854.db2.gz GAMOMACEJAPVGI-HOTGVXAUSA-N 2 2 384.480 3.875 20 5 GHBDLP O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)c2)cc1 ZINC000782943606 931370140 /nfs/dbraw/zinc/37/01/40/931370140.db2.gz XHCKHVQUEKSBDX-UHFFFAOYSA-N 2 2 394.479 3.805 20 5 GHBDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607722 1040379228 /nfs/dbraw/zinc/37/92/28/1040379228.db2.gz MPSDQDWQPOWAFW-NRFANRHFSA-N 2 2 383.467 3.798 20 5 GHBDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607722 1040379241 /nfs/dbraw/zinc/37/92/41/1040379241.db2.gz MPSDQDWQPOWAFW-NRFANRHFSA-N 2 2 383.467 3.798 20 5 GHBDLP