0 B15R1.552 C=CCCCNc1cc([n+](c(n1)N)[O-])N bd4203d7c4bcc0444da35e37de76e508 [0,0,1,0,0,0|0,0,2]=3 1 B15R1.552 C=COCCNc1cc([n+](c(n1)N)[O-])N 7228ba722acc4152edd19aa50a0a7949 [0,0,1,0,0,0|1,0,2]=4 2 B15R1.552 CCCCCNc1cc([n+](c(n1)N)[O-])N 49c95d922a31791bddc0a2a254b35d20 [0,0,1,0,0,0|0,0,0]=1 3 B15R1.552 CCCCCNc1cc(c(c(c1)N)C)N 1209c4c1bf2a54aeb3c6234c87365129 [0,0,1,0,0,0|3,0,0]=4 4 B15R1.552 CCCCCNc1cc(c(c(c1)N)N)N de7247299dc3af225aa3624368836b63 [0,0,1,0,0,0|3,0,0]=4 5 B15R1.552 CCCCCNc1cc(c(c(n1)N)N)C f0987f82bae54cba5b2fbeb4eac2bf5d [0,0,1,0,0,0|3,0,0]=4 6 B15R1.552 CCOCCNc1cc([n+](c(n1)N)[O-])N 06241e9ca043c4c21a363fd3911283dd [0,0,1,0,0,0|1,0,0]=2 7 B15R1.552 CCSCCNc1cc([n+](c(n1)N)[O-])N 3d2200d1e437204217765ac2a596523a [0,0,1,0,0,0|1,0,0]=2 8 B15R1.552 COCCCNc1cc([n+](c(n1)N)[O-])N aeef3c693047a9f17596390a6a0b74e3 [0,0,1,0,0,0|1,0,0]=2 9 B15R1.552 CSCCCNc1cc([n+](c(n1)N)[O-])N f2467735d9c0ed2d866040019880fc03 [0,0,1,0,0,0|1,0,0]=2 10 B15R1.552 N#CCCCNc1cc([n+](c(n1)N)[O-])N 45bd623e5686c07feffd2432ca99a4bb [0,0,1,0,0,0|1,0,1]=3 11 B15R1.552 Nc1cc(nc([n+]1[O-])N)NCCCCCl 867c400ca92edf2615624e69da4ca719 [0,0,1,0,0,0|1,0,0]=2 12 B15R1.552 Nc1cc(nc([n+]1[O-])N)NCCCCO 0eb70e7bdf8f821cae7a9b3223813ea0 [0,0,1,0,0,0|1,0,0]=2 13 B15R1.552 Nc1cc(nc([n+]1[O-])N)NCCCCS 62daad901715605433cf3835bbb8166e [0,0,1,0,0,0|1,0,0]=2 14 B15R1.2620 CCCN(CC)c1cc([n+](c(n1)N)[O-])N 642a4174dcfd23810498eecfd9ef1a9a [0,0,1,0,0,0|0,0,0]=1 15 B15R1.2620 CCN(CC#N)c1cc([n+](c(n1)N)[O-])N f453abe5d8e0a46976a512286536ca8a [0,0,1,0,0,0|1,0,1]=3 16 B15R1.2620 CCN(CCCl)c1cc([n+](c(n1)N)[O-])N 98e682a03954b88b62f36d955e01ee14 [0,0,1,0,0,0|1,0,0]=2 17 B15R1.2620 CCN(CCO)c1cc([n+](c(n1)N)[O-])N 3b5d2669b4fab66ab5b58233cc9ce28e [0,0,1,0,0,0|1,0,0]=2 18 B15R1.2620 Nc1cc(nc([n+]1[O-])N)N(CO)CCO bed2ba09b6230d5f9392cf3f1f812234 [0,0,1,0,0,0|2,0,0]=3 19 B15R1.5924 C=CCCN(C)c1cc([n+](c(n1)N)[O-])N e18e3021b21fe89a0508bfe545afda8e [0,0,1,0,0,0|0,0,2]=3 20 B15R1.5924 CCCCN(C)c1cc([n+](c(n1)N)[O-])N 977500a65b4d09af23db88c747113b36 [0,0,1,0,0,0|0,0,0]=1 21 B15R1.5924 CCCCN(C)c1cc(c(c(c1)N)C)N a023ee51e90404f618abb78e2bdd516d [0,0,1,0,0,0|3,0,0]=4 22 B15R1.5924 CCCCN(C)c1cc(c(c(c1)N)N)N 71a2180a7de2776b8e043bd024375dbb [0,0,1,0,0,0|3,0,0]=4 23 B15R1.5924 CCCCN(C)c1cc(c(c(n1)N)N)C 8c96d70f19c066428d049d32e85eee45 [0,0,1,0,0,0|3,0,0]=4 24 B15R1.5924 CN(CCC#N)c1cc([n+](c(n1)N)[O-])N 35f4719d7eebe59cba61f72aa5f218f1 [0,0,1,0,0,0|1,0,1]=3 25 B15R1.5924 CN(CCCO)c1cc([n+](c(n1)N)[O-])N a270f104459e045a287b687b19a3ae02 [0,0,1,0,0,0|1,0,0]=2 26 B15R1.5924 CN(CCON)c1cc([n+](c(n1)N)[O-])N 8ad88675e32a5fb4a8e0e0e483d0d5bb [0,0,1,0,0,0|2,0,0]=3 27 B15R1.5924 COCCN(C)c1cc([n+](c(n1)N)[O-])N 08d62d0768bd05e0815246ea17864eab [0,0,1,0,0,0|1,0,0]=2 28 B15R1.5924 CSCCN(C)c1cc([n+](c(n1)N)[O-])N c53c79e042696a7be3cbd1134f219635 [0,0,1,0,0,0|1,0,0]=2 29 B17R2.36760 Nc1cc(nc([n+]1[O-])N)NC2C=CCCC2 8818b4482cf79698b74275e401ea65fb [0,0,0,0,0,1|1,0,2]=4 30 B14R1.61 C=CCCNc1cc([n+](c(n1)N)[O-])N 7ca8dff4b674c3f8be79a776302d9221 [1,0,1,0,0,0|0,0,2]=4 31 B14R1.61 CC=CCNc1cc([n+](c(n1)N)[O-])N 7cc9eb5899335e11bb5201e853bd4fa7 [1,0,1,0,0,0|0,0,2]=4 32 B14R1.61 CCCCNc1cc([n+](c(n1)N)[O-])N adc461fe941c46c6ac2f6c2676cf44c0 [1,0,1,0,0,0|0,0,0]=2 33 B14R1.61 COCCNc1cc([n+](c(n1)N)[O-])N 9b498474094939aba9c5e4ddd0f58e8b [1,0,1,0,0,0|1,0,0]=3 34 B14R1.61 CSCCNc1cc([n+](c(n1)N)[O-])N 927b42810e9a10326b9b2e1aa5b141dd [1,0,1,0,0,0|1,0,0]=3 35 B14R1.61 N#CCCNc1cc([n+](c(n1)N)[O-])N e67886d16bcdb01a7f33cbb425e7421e [1,0,1,0,0,0|1,0,1]=4 36 B14R1.61 NOCCNc1cc([n+](c(n1)N)[O-])N f42c5e4364f5752835e8591c43f5a5f2 [1,0,1,0,0,0|2,0,0]=4 37 B14R1.61 Nc1cc(nc([n+]1[O-])N)NCCCCl c0e60c2c4102d719bb6627a2506144b2 [1,0,1,0,0,0|1,0,0]=3 38 B14R1.61 Nc1cc(nc([n+]1[O-])N)NCCCO fb81f515810a09609edaf6e7e3c89085 [1,0,1,0,0,0|1,0,0]=3 39 B14R1.232 CCCCCNc1cc(c(cn1)N)N 0891f261b42c83cfce4c2f168db248fb [1,0,1,0,0,0|2,0,0]=4 40 B14R1.232 CCCCCNc1cc[n+](c(c1)C)[O-] c1e8b707174e70d569fe6938dc99e923 [1,0,1,0,0,0|2,0,0]=4 41 B14R1.232 CCCCCNc1ccc(c(n1)N)N ec9a7cb1f3fcc297834ec0cc443defa2 [1,0,1,0,0,0|2,0,0]=4 42 B14R1.443 CCCCCNc1cc(cc(c1)N)N a26804575bb90303a4c3edb85173b2f4 [1,0,1,0,0,0|2,0,0]=4 43 B14R1.443 CCCCCNc1cc(nc(c1)N)N 9af6d0dbe36b635c76be8db53959328c [1,0,1,0,0,0|1,0,1]=4 44 B14R1.443 CCCCCNc1cc(nc(n1)N)N 57f631cb6b47e454bd3780794fbcf561 [1,0,1,0,0,0|0,0,1]=3 45 B14R1.443 CCOCCNc1cc(nc(n1)N)N 8625768c727af66a11837a419efcbd7d [1,0,1,0,0,0|1,0,1]=4 46 B14R1.443 COCCCNc1cc(nc(n1)N)N 1c5c20b15be129b8c54af3b23b8c9b2b [1,0,1,0,0,0|1,0,1]=4 47 B14R1.443 CSCCCNc1cc(nc(n1)N)N 13c58076b1ae10df21f09f2fe9b718d6 [1,0,1,0,0,0|1,0,1]=4 48 B14R1.443 Nc1cc(nc(n1)N)NCCCCCl 96c62bee3b5664adb3f53572ed44d000 [1,0,1,0,0,0|1,0,1]=4 49 B14R1.443 Nc1cc(nc(n1)N)NCCCCO 6c5ad3d797a7e0ff40c5c7c80d7c316e [1,0,1,0,0,0|1,0,1]=4 50 B14R1.443 Nc1cc(nc(n1)N)NCCCCS 638c63517859ffeb774d352c5fd0611c [1,0,1,0,0,0|1,0,1]=4 51 B14R1.189 CCCN(CC)c1cc(nc(c1)N)N d3899044594cf43685111d889cad3f8c [1,0,1,0,0,0|1,0,1]=4 52 B14R1.189 CCN(CCO)c1cc(nc(n1)N)N 7f870b88e284be1521f1497cbacd935d [1,0,1,0,0,0|1,0,1]=4 53 B14R1.206 CCCN(CC)c1cc(c(cn1)N)N 900b85089641b91298b8cb2ca98fbd4b [1,0,1,0,0,0|2,0,0]=4 54 B14R1.6821 C=CCN(C)c1cc([n+](c(n1)N)[O-])N 843d8ebac221b7653cfa9a4137295231 [1,0,1,0,0,0|0,0,2]=4 55 B14R1.6821 CCCN(C)c1cc([n+](c(n1)N)[O-])N 435399242fe8a1a747200d56e3113754 [1,0,1,0,0,0|0,0,0]=2 56 B14R1.6821 CN(CC#N)c1cc([n+](c(n1)N)[O-])N ad08257147dd9cd75245ba2eba14881d [1,0,1,0,0,0|1,0,1]=4 57 B14R1.6821 CN(CCF)c1cc([n+](c(n1)N)[O-])N 73e316116b3516c115ba773656fcc0b7 [1,0,1,0,0,0|1,0,0]=3 58 B14R1.6821 CN(CCO)c1cc([n+](c(n1)N)[O-])N 3b8aab4cb52a50b7d16c6510d48371f2 [1,0,1,0,0,0|1,0,0]=3 59 B14R1.923 CCCCN(C)c1cc(cc(c1)N)N 2de3c09adff2228dc81d8fd0ecad4c5d [1,0,1,0,0,0|2,0,0]=4 60 B14R1.923 CCCCN(C)c1cc(nc(c1)N)N af104366d1e4a942eb16ed4099f83573 [1,0,1,0,0,0|1,0,1]=4 61 B14R1.923 CCCCN(C)c1cc(nc(n1)N)N a1fe4bbcfe4d6abaea8a0e6f0285fb99 [1,0,1,0,0,0|0,0,1]=3 62 B14R1.923 CCCCN(C)c1nc(cc(n1)N)N 5d179582a90900a703dfb16e62d8c1c2 [1,0,1,0,0,0|2,0,0]=4 63 B14R1.923 CCCCN(C)c1nc(nc(n1)N)N c73b5b62dd906b33134af9121b1b9541 [1,0,1,0,0,0|1,0,1]=4 64 B14R1.923 CN(CCCO)c1cc(nc(n1)N)N 9ab4b4905e6d7f369e668edce4fcee67 [1,0,1,0,0,0|1,0,1]=4 65 B14R1.923 COCCN(C)c1cc(nc(n1)N)N 96f17302ca544b1b0af7ee61731d7fc9 [1,0,1,0,0,0|1,0,1]=4 66 B14R1.923 CSCCN(C)c1cc(nc(n1)N)N 3f5d67b3bf4614010587f88504942104 [1,0,1,0,0,0|1,0,1]=4 67 B14R1.941 CCCCN(C)c1cc(c(cn1)N)N 53f47b59eaa930f11db751dd051d04ce [1,0,1,0,0,0|2,0,0]=4 68 B14R1.941 CCCCN(C)c1ccc(c(n1)N)N 33c16f1be92d5e77222356888564b5ac [1,0,1,0,0,0|2,0,0]=4 69 B16R1.1130 CC(CO)CCNc1cc([n+](c(n1)N)[O-])N 5ecc3da42ccee3e1c2acd78b89f92fc4 [0,1,1,0,0,0|1,0,0]=3 70 B16R1.1130 CCC(C)CCNc1cc([n+](c(n1)N)[O-])N ce4c36d714dd271b82d9d51668c63926 [0,1,1,0,0,0|0,0,0]=2 71 B16R1.1130 CNC(=O)CCNc1cc([n+](c(n1)N)[O-])N fee3acb5ae45f3546af70dbe64575f0c [0,1,1,0,0,0|1,0,1]=4 72 B16R1.1130 COC(=O)CCNc1cc([n+](c(n1)N)[O-])N 9dbb0187f4aad6ad7ea3796b1bd8011a [0,1,1,0,0,0|1,0,1]=4 73 B16R1.1130 C[C@@H](CO)CCNc1cc([n+](c(n1)N)[O-])N 2bd37b22adea4c98e344f5de2e06cc9a [0,1,1,0,0,0|1,0,0]=3 74 B16R1.1130 Nc1cc(nc([n+]1[O-])N)NCCC(O)CO 997fe00d9b7365880c10f8fe6f34a0b0 [0,1,1,0,0,0|1,0,0]=3 75 B16R1.1217 C=CCCCCNc1cc([n+](c(n1)N)[O-])N ebf8b5e06748756b77a6823af7a8f96d [0,1,1,0,0,0|0,0,1]=3 76 B16R1.1217 C=COCCCNc1cc([n+](c(n1)N)[O-])N b7c5745b46316c694724d11c51de1764 [0,1,1,0,0,0|0,0,2]=4 77 B16R1.1217 CCCCCCNc1cc([n+](c(n1)N)[O-])N 9e9cebe5e0a25db2f75339f5867e4424 [0,1,1,0,0,0|0,0,0]=2 78 B16R1.1217 CCCOCCNc1cc([n+](c(n1)N)[O-])N 86d0ec0d4e105ea681f7b8a5dc2451f7 [0,1,1,0,0,0|0,0,0]=2 79 B16R1.1217 CCOCCCNc1cc([n+](c(n1)N)[O-])N 12812aee4aba483e4d3c5d454c69a1ee [0,1,1,0,0,0|0,0,0]=2 80 B16R1.1217 COCCCCNc1cc([n+](c(n1)N)[O-])N 0004c059aa37a616d5155ae9a0aaa596 [0,1,1,0,0,0|0,0,0]=2 81 B16R1.1217 CSCCCCNc1cc([n+](c(n1)N)[O-])N c97e117f82f5bbe09155a88db52b91f4 [0,1,1,0,0,0|0,0,0]=2 82 B16R1.1217 N#CCCCCNc1cc([n+](c(n1)N)[O-])N a23023ddbc9f6f8ba7ddc3d8de61c7a2 [0,1,1,0,0,0|0,0,1]=3 83 B16R1.1217 Nc1cc(nc([n+]1[O-])N)NCCCCCCl 4be78b1e186eb9eb2dd125bc293233e8 [0,1,1,0,0,0|0,0,0]=2 84 B16R1.1217 Nc1cc(nc([n+]1[O-])N)NCCCCCO ca4e3b39675ed89634d8c67f8cd90aac [0,1,1,0,0,0|0,0,0]=2 85 B16R1.1217 Nc1cc(nc([n+]1[O-])N)NCCOCCO 5531caf8fe2fe25ad8740fe072dfb454 [0,1,1,0,0,0|1,0,0]=3 86 B16R1.1217 Nc1cc(nc([n+]1[O-])N)NCCOCCS c1b2b85ca9a5bbb581932df7e3fce940 [0,1,1,0,0,0|1,0,0]=3 87 B16R1.1217 Nc1cc(nc([n+]1[O-])N)NCCSCCO 032a7fa57acb85e2d75f9e215b9e843b [0,1,1,0,0,0|1,0,0]=3 88 B16R1.1451 CC(CCCO)Nc1cc([n+](c(n1)N)[O-])N ee70c735875e674d22e68ad3e1d6259d [0,1,1,0,0,0|1,0,0]=3 89 B16R1.1451 CCCCC(C)Nc1cc([n+](c(n1)N)[O-])N 03773ae0a6871d22bc3b473cc6a81ea1 [0,1,1,0,0,0|0,0,0]=2 90 B16R1.1451 CCCC[C@@H](C)Nc1cc([n+](c(n1)N)[O-])N 064fc803c3d5e6feb93de2682b9d5e8d [0,1,1,0,0,0|0,0,0]=2 91 B16R1.1451 C[C@H](CCCO)Nc1cc([n+](c(n1)N)[O-])N bc542be98f9b99640613b7f3e8e17c3c [0,1,1,0,0,0|1,0,0]=3 92 B16R1.1520 C=CCC(O)CNc1cc([n+](c(n1)N)[O-])N 96f7c9b8ff6b1abefb57e8a82a21f0e4 [0,1,1,0,0,0|0,0,2]=4 93 B16R1.1520 CC(CCO)CNc1cc([n+](c(n1)N)[O-])N a9a3ac6bb809aa69832fd726c564f390 [0,1,1,0,0,0|1,0,0]=3 94 B16R1.1520 CCCC(O)CNc1cc([n+](c(n1)N)[O-])N e87abbde3bbf47f0624d760318d24b3b [0,1,1,0,0,0|0,0,0]=2 95 B16R1.1520 CCNC(=O)CNc1cc([n+](c(n1)N)[O-])N 08f5e4f436b840db6711bcda0bcf4445 [0,1,1,0,0,0|1,0,1]=4 96 B16R1.1520 CCOC(=O)CNc1cc([n+](c(n1)N)[O-])N 051da523eaebd08b60b9edc505105fb4 [0,1,1,0,0,0|1,0,1]=4 97 B16R1.1520 CCOC(C)CNc1cc([n+](c(n1)N)[O-])N 87b9e4a15d2112e71d67d69f77f74f28 [0,1,1,0,0,0|1,0,0]=3 98 B16R1.1520 COCC(O)CNc1cc([n+](c(n1)N)[O-])N dbb289011266e9a852911f0424eead12 [0,1,1,0,0,0|1,0,0]=3 99 B16R1.1520 COC[C@@H](O)CNc1cc([n+](c(n1)N)[O-])N 3112d9b6bf56a6c06597dd40d4f11fb0 [0,1,1,0,0,0|1,0,0]=3 100 B16R1.3548 C=CCCCN(C)c1cc([n+](c(n1)N)[O-])N 458c50e5e67969945b16ca34b6473b99 [0,1,1,0,0,0|0,0,2]=4 101 B16R1.3548 CCCCCN(C)c1cc([n+](c(n1)N)[O-])N 58920755387c550214134a47ca7b33e5 [0,1,1,0,0,0|0,0,0]=2 102 B16R1.3548 CCOCCN(C)c1cc([n+](c(n1)N)[O-])N 61d2da2d0179963ba3059c72271cce24 [0,1,1,0,0,0|1,0,0]=3 103 B16R1.3548 CN(CCCCO)c1cc([n+](c(n1)N)[O-])N 96c02d95c93ada98523c9e5411cdedde [0,1,1,0,0,0|1,0,0]=3 104 B16R1.3548 COCCCN(C)c1cc([n+](c(n1)N)[O-])N 2cbf2f63c2b698b3d6b0cb96fc1a214d [0,1,1,0,0,0|1,0,0]=3 105 B16R1.52956 CC(=O)NCCNc1cc([n+](c(n1)N)[O-])N 9b48517fca7af7d9a9d2cfa6d7d936e9 [0,1,1,0,0,0|1,0,1]=4 106 B16R1.52956 CC(C)CCCNc1cc([n+](c(n1)N)[O-])N 45c91e1690bc4b136755b290a2f1bb71 [0,1,1,0,0,0|0,0,0]=2 107 B16R1.52956 CC(C)OCCNc1cc([n+](c(n1)N)[O-])N 63c5df42ca00fde9c49d58cdc88d8b07 [0,1,1,0,0,0|1,0,0]=3 108 B16R1.52956 CN(C)CCCNc1cc([n+](c(n1)N)[O-])N 68f901f07b79ccf971870e11285ef557 [0,1,1,0,0,0|1,0,0]=3 109 B16R1.52956 CS(=O)CCCNc1cc([n+](c(n1)N)[O-])N 124c117eec37be860500f07374ade93b [0,1,1,0,0,0|1,0,0]=3 110 B16R1.52956 NC(=O)CCCNc1cc([n+](c(n1)N)[O-])N 8186a1e430a34fee89adbc1baf9e5f6a [0,1,1,0,0,0|1,0,1]=4 111 B16R1.52956 Nc1cc(nc([n+]1[O-])N)NCCCC(=O)O c0ff45304bdc0082094998017cd97ee1 [0,1,1,0,0,0|1,0,1]=4 112 B16R1.52956 Nc1cc(nc([n+]1[O-])N)NCCOC(F)F 53955957a1926813e64f9a153ee1b57c [0,1,1,0,0,0|2,0,0]=4 113 B16R1.12581 C=C(C)CN(CC)c1cc([n+](c(n1)N)[O-])N 84e0d8894635172a2cdc356f72ee0edc [0,1,1,0,0,0|0,0,1]=3 114 B16R1.12581 CCN(CC(C)C)c1cc([n+](c(n1)N)[O-])N c4c0e4e9744309b9d8b519e1af943096 [0,1,1,0,0,0|0,0,0]=2 115 B16R1.12581 CCN(CC(C)O)c1cc([n+](c(n1)N)[O-])N fe7f36f3693d667687b696363067be36 [0,1,1,0,0,0|0,0,0]=2 116 B16R1.12581 CCN(CC(F)F)c1cc([n+](c(n1)N)[O-])N aa1ee89ab0fcd0d7e22e0825c7f78cab [0,1,1,0,0,0|1,0,0]=3 117 B16R1.12581 CCN(C[C@H](C)O)c1cc([n+](c(n1)N)[O-])N d56b1932db687eeb9be9f55d10a671ff [0,1,1,0,0,0|0,0,0]=2 118 B16R1.25981 CCCCN(CC)c1cc([n+](c(n1)N)[O-])N 9088631a59b761c32b9c2fc7225fba37 [0,1,1,0,0,0|0,0,0]=2 119 B16R1.25981 CCN(CCC#N)c1cc([n+](c(n1)N)[O-])N 72b4ef085ef9c2116e908f2e4057ccf3 [0,1,1,0,0,0|0,0,1]=3 120 B16R1.25981 CCN(CCCO)c1cc([n+](c(n1)N)[O-])N 4132fad2b44a62f2f307e6ce60fd1a5a [0,1,1,0,0,0|0,0,0]=2 121 B16R1.25981 CCN(CCOC)c1cc([n+](c(n1)N)[O-])N c79a3b76f5a8795d24d81d93ec57459a [0,1,1,0,0,0|0,0,0]=2 122 B16R1.26737 C=CCN(CCC)c1cc([n+](c(n1)N)[O-])N 434e00d148c5d35cd334c79651093d62 [0,1,1,0,0,0|0,0,1]=3 123 B16R1.26737 C=CCN(CCO)c1cc([n+](c(n1)N)[O-])N 6b10769639d1933a194fa2c30cec3c50 [0,1,1,0,0,0|0,0,2]=4 124 B16R1.26737 CCCN(CCC)c1cc([n+](c(n1)N)[O-])N 6503add47cf8dc75a59c62dbf7b7fb6b [0,1,1,0,0,0|0,0,0]=2 125 B16R1.26737 CCCN(CCO)c1cc([n+](c(n1)N)[O-])N 88661bb52773aa76fbc47536b2c4882c [0,1,1,0,0,0|0,0,0]=2 126 B16R1.26737 Nc1cc(nc([n+]1[O-])N)N(CCCl)CCCl 945f5fd74d7900d3fc238ba603c6efa2 [0,1,1,0,0,0|1,0,0]=3 127 B16R1.26737 Nc1cc(nc([n+]1[O-])N)N(CCO)CCO 5866f8a396e38b8296e95e5fe368ab41 [0,1,1,0,0,0|1,0,0]=3 128 B16R1.32362 CCN(c1cc([n+](c(n1)N)[O-])N)C(C)CO 1c21f8bba5b169a14d17ee1d6c6e82de [0,1,1,0,0,0|1,0,0]=3 129 B16R1.59644 C=CCN(c1cc([n+](c(n1)N)[O-])N)C(C)C 66ce5b188d32a1632ecd9177c118fe44 [0,1,1,0,0,0|0,0,2]=4 130 B16R1.59644 CC(C)N(CCO)c1cc([n+](c(n1)N)[O-])N 258feb9ee96342f8ba75b42be3c67adb [0,1,1,0,0,0|1,0,0]=3 131 B16R1.59644 CCCN(c1cc([n+](c(n1)N)[O-])N)C(C)C 38e2e82fe81c17f723c11fe62e92a66a [0,1,1,0,0,0|0,0,0]=2 132 B16R1.14848 CC(C#N)CN(C)c1cc([n+](c(n1)N)[O-])N 211a9f5a5f915a8093d741779a53021d [0,1,1,0,0,0|1,0,1]=4 133 B16R1.14848 CC(CO)CN(C)c1cc([n+](c(n1)N)[O-])N 1d6c43764c9d745a886ef7c1bf771058 [0,1,1,0,0,0|1,0,0]=3 134 B16R1.14848 CCC(O)CN(C)c1cc([n+](c(n1)N)[O-])N 0d5e82ef16fc688f26c9dc4d7c7fa940 [0,1,1,0,0,0|0,0,0]=2 135 B16R1.14848 CN(CC(O)CO)c1cc([n+](c(n1)N)[O-])N 5977138eeb1ddbd419350eeeacf1ffda [0,1,1,0,0,0|1,0,0]=3 136 B16R1.14848 CNC(=O)CN(C)c1cc([n+](c(n1)N)[O-])N 150afe043ca3aff6532a42a6a0546303 [0,1,1,0,0,0|1,0,1]=4 137 B16R1.14848 COC(=O)CN(C)c1cc([n+](c(n1)N)[O-])N 3badd937cb190ff353b0e74b4e8ae1a0 [0,1,1,0,0,0|1,0,1]=4 138 B16R1.52957 CC(C)CCN(C)c1cc([n+](c(n1)N)[O-])N 2ccfeb89a1f8144d2775d63eab0f909f [0,1,1,0,0,0|0,0,0]=2 139 B16R1.52957 CC(O)CCN(C)c1cc([n+](c(n1)N)[O-])N 3fb380a7dac2c57e151081df5e8dc773 [0,1,1,0,0,0|0,0,0]=2 140 B16R1.52957 CN(C)CCN(C)c1cc([n+](c(n1)N)[O-])N 7a9a91e83137addc4d26e144a059b007 [0,1,1,0,0,0|1,0,0]=3 141 B16R1.52957 CN(CCC(=O)N)c1cc([n+](c(n1)N)[O-])N 92904453e6a1306c8cfc75bb1987276e [0,1,1,0,0,0|1,0,1]=4 142 B16R1.52957 CN(CCC(=O)O)c1cc([n+](c(n1)N)[O-])N f62d9b2b76d43981c4fa5cb7457356a5 [0,1,1,0,0,0|1,0,1]=4 143 B16R1.52957 CN(CCC(F)F)c1cc([n+](c(n1)N)[O-])N 67cd64af3b77ab2cb047cd49b146e4bf [0,1,1,0,0,0|1,0,0]=3 144 B16R1.66350 CC(CCO)N(C)c1cc([n+](c(n1)N)[O-])N 5724ea190a4f03a20f07ddedc78b5e7a [0,1,1,0,0,0|1,0,0]=3 145 B16R1.66350 C[C@@H](CCO)N(C)c1cc([n+](c(n1)N)[O-])N 508f8feb5fffb938d9c3085f1f99c58e [0,1,1,0,0,0|1,0,0]=3 146 B18R2.273039 CC1CC(CCO1)Nc2cc([n+](c(n2)N)[O-])N 67d234be61b46f9347cc8493aaaf28e4 [0,1,0,0,0,1|2,0,0]=4 147 B18R2.273039 C[C@@H]1C[C@@H](CCO1)Nc2cc([n+](c(n2)N)[O-])N 3115be82e88ceb52fe2f0f0c08c668cb [0,1,0,0,0,1|2,0,0]=4 148 B18R2.273039 C[C@@H]1C[C@H](CCO1)Nc2cc([n+](c(n2)N)[O-])N 632111965521ab996b9d3d46b03d9c54 [0,1,0,0,0,1|2,0,0]=4 149 B18R2.273039 C[C@H]1C[C@@H](CCO1)Nc2cc([n+](c(n2)N)[O-])N a8ae6dfcdf0b31d3851d59121cf7fb96 [0,1,0,0,0,1|2,0,0]=4 150 B18R2.273039 C[C@H]1C[C@H](CCO1)Nc2cc([n+](c(n2)N)[O-])N e6bb980b8791baa89d40a6a5cc8a8f87 [0,1,0,0,0,1|2,0,0]=4 151 B18R2.273039 Nc1cc(nc([n+]1[O-])N)NC2CCCC(C2)O 2c1a8caab56d50112776499f55dbb330 [0,1,0,0,0,1|1,0,0]=3 152 B18R2.273039 Nc1cc(nc([n+]1[O-])N)N[C@@H]2CCC[C@@H](C2)O 3a314c637dff2057f9ce5c3c90268ce5 [0,1,0,0,0,1|1,0,0]=3 153 B18R2.273039 Nc1cc(nc([n+]1[O-])N)N[C@@H]2CCC[C@H](C2)O 98d94f5fe52c14320bdf8146502d81bf [0,1,0,0,0,1|1,0,0]=3 154 B18R2.273039 Nc1cc(nc([n+]1[O-])N)N[C@H]2CCC[C@@H](C2)O d3f7801870b8b70e56a782c5ede69169 [0,1,0,0,0,1|1,0,0]=3 155 B18R2.273039 Nc1cc(nc([n+]1[O-])N)N[C@H]2CCC[C@H](C2)O da86d7fa80fff7f2ad30a2abccf0fb8e [0,1,0,0,0,1|1,0,0]=3 156 B18R2.512566 Nc1cc(nc([n+]1[O-])N)N[C@@H]2COCC[C@@H]2O cb46449ee5544501c266a8abf9365109 [0,1,0,0,0,1|2,0,0]=4 157 B18R2.512566 Nc1cc(nc([n+]1[O-])N)N[C@@H]2COCC[C@H]2O 9775ca75c1d09b62f2928b0129e08b99 [0,1,0,0,0,1|2,0,0]=4 158 B18R2.512566 Nc1cc(nc([n+]1[O-])N)N[C@H]2COCC[C@@H]2O 7f8206aab5cd8962664cdd327aa15219 [0,1,0,0,0,1|2,0,0]=4 159 B18R2.512566 Nc1cc(nc([n+]1[O-])N)N[C@H]2COCC[C@H]2O b91dfdd9691bf3b5ea456b832118e79b [0,1,0,0,0,1|2,0,0]=4 160 B18R2.686212 Nc1cc(nc([n+]1[O-])N)NC2CCC(CC2)O fc79865ea7dffa66a56591f96c573354 [0,1,0,0,0,1|1,0,0]=3 161 B18R2.686212 Nc1cc(nc([n+]1[O-])N)N[C@H]2CC[C@@H](CC2)O d3758ee255c83761903bd881bc14529f [0,1,0,0,0,1|1,0,0]=3 162 B18R2.686212 Nc1cc(nc([n+]1[O-])N)N[C@H]2CC[C@H](CC2)O 38a734f0275a8eaeb2c20bb14f579a5f [0,1,0,0,0,1|1,0,0]=3 163 B16R2.14324 Nc1cc(nc([n+]1[O-])N)NC2CC=CC2 248978afa6a8fd19d762714486b84b55 [0,0,1,1,0,0|0,0,2]=4 164 B16R2.96987 CC1OCC1Nc2cc([n+](c(n2)N)[O-])N 9edb0c9ec93bac0b49469678921687d7 [0,0,1,1,0,0|1,0,0]=3 165 B16R2.96987 C[C@@H]1CC[C@@H]1Nc2cc([n+](c(n2)N)[O-])N 469c5ddda15e576feedcce65d60006d6 [0,0,1,1,0,0|0,0,0]=2 166 B16R2.96987 C[C@@H]1CC[C@H]1Nc2cc([n+](c(n2)N)[O-])N 52e5e855c854a0a7ad9c4839a347bbcb [0,0,1,1,0,0|0,0,0]=2 167 B16R2.96987 Nc1cc(nc([n+]1[O-])N)NC2CCC2F 899cc3d852e7267cb0742682ae4448c1 [0,0,1,1,0,0|1,0,0]=3 168 B16R2.96987 Nc1cc(nc([n+]1[O-])N)NC2CCC2O c842a957227d9233148b4541edfe3dd5 [0,0,1,1,0,0|1,0,0]=3 169 B16R2.96987 Nc1cc(nc([n+]1[O-])N)N[C@@H]2CC[C@@H]2O 88b67c36a587d4e6936c9ef99d6dff9c [0,0,1,1,0,0|1,0,0]=3 170 B16R2.96987 Nc1cc(nc([n+]1[O-])N)N[C@@H]2CC[C@H]2O b3c7833905bb3ba82049b3a1cd96fa5c [0,0,1,1,0,0|1,0,0]=3 171 B16R2.96987 Nc1cc(nc([n+]1[O-])N)N[C@H]2CC[C@@H]2O a47ddf9b8cdd19e432f3eccbfdf76477 [0,0,1,1,0,0|1,0,0]=3 172 B16R2.96987 Nc1cc(nc([n+]1[O-])N)N[C@H]2CC[C@H]2O 4fadb1a9f1968e57c35ec44d17bbc7e5 [0,0,1,1,0,0|1,0,0]=3 173 B16R2.199479 CO[C@H]1C[C@H]1Nc2cc([n+](c(n2)N)[O-])N 1da2850e5dcadaaa26f156dd3b5c0bd2 [0,0,1,1,0,0|1,0,0]=3 174 B16R2.199479 Nc1cc(nc([n+]1[O-])N)N[C@@H]2C[C@H]2CO acd93b00301ca82bac6d8a9ddeb1c464 [0,0,1,1,0,0|1,0,0]=3 175 B16R2.199479 Nc1cc(nc([n+]1[O-])N)N[C@H]2C[C@@H]2CO 6f5b60f95366e549e731383af27c2ae3 [0,0,1,1,0,0|1,0,0]=3 176 B16R2.199479 Nc1cc(nc([n+]1[O-])N)N[C@H]2C[C@H]2CO 0b92637e04e4f3bf261278995d6fddf7 [0,0,1,1,0,0|1,0,0]=3 177 B16R2.375751 Nc1cc(nc([n+]1[O-])N)NCC2CCC2 bef49f113a376382bbc0ba3c957515e8 [0,0,1,1,0,0|0,0,0]=2 178 B16R2.375751 Nc1cc(nc([n+]1[O-])N)NCC2CCO2 f4f7ac96eea6f53334fda7475fa215d1 [0,0,1,1,0,0|1,0,0]=3 179 B16R2.375751 Nc1cc(nc([n+]1[O-])N)NCC2COC2 08e2481721fc72da88397e937d1bd5d7 [0,0,1,1,0,0|1,0,0]=3 180 B16R2.375751 Nc1cc(nc([n+]1[O-])N)NC[C@@H]2CCO2 fcc358e2606f493fad7b798a04f4769d [0,0,1,1,0,0|1,0,0]=3 181 B16R2.375751 Nc1cc(nc([n+]1[O-])N)NC[C@H]2CCO2 b6711f17420bbbc474d74119c64d966c [0,0,1,1,0,0|1,0,0]=3 182 B16R2.375769 Nc1cc(nc([n+]1[O-])N)NCCC2CC2 7dda1d26144ad473a059ef20600de3b5 [0,0,1,1,0,0|0,0,0]=2 183 B16R2.375769 Nc1cc(nc([n+]1[O-])N)NCCN2CC2 9fd25069feaac0d215ab8689a8753674 [0,0,1,1,0,0|1,0,0]=3 184 B16R2.375760 CN(CC1CC1)c2cc([n+](c(n2)N)[O-])N f4323cb5d719665ed855f33dbdbe7dab [0,0,1,1,0,0|0,0,0]=2 185 B16R1.134 CCC(COC)Nc1cc([n+](c(n1)N)[O-])N d1879c2d1b18dc8c6ebf7e16fbb09863 [0,0,1,0,0,1|2,0,0]=4 186 B16R1.134 CCCC(CO)Nc1cc([n+](c(n1)N)[O-])N 909e8aca72ffc22627f91d9d98879ef9 [0,0,1,0,0,1|2,0,0]=4 187 B16R1.134 CCC[C@@H](CO)Nc1cc([n+](c(n1)N)[O-])N 1d9b0c2452838c969db66f476c228228 [0,0,1,0,0,1|2,0,0]=4 188 B16R1.134 CCC[C@H](CO)Nc1cc([n+](c(n1)N)[O-])N 9e7c7b903b323835ce0ec27c3d591a0c [0,0,1,0,0,1|2,0,0]=4 189 B18R2.38706 Nc1cc(nc([n+]1[O-])N)NCC2=CCCCC2 9da24a0fe6c48bba94d5cc510aa3732b [0,0,0,0,0,2|1,0,1]=4 190 B18R2.38706 Nc1cc(nc([n+]1[O-])N)NCC2CCCCC2 38c3123b451f1ab8524f22609fb0f4da [0,0,0,0,0,2|1,0,0]=3 191 B18R2.38706 Nc1cc(nc([n+]1[O-])N)NCC2CCCCO2 47c06abc38ec1dbbb855861a64369437 [0,0,0,0,0,2|2,0,0]=4 192 B18R2.38706 Nc1cc(nc([n+]1[O-])N)NCC2CCCOC2 97dc1a5926b076c655d2487ca8f8af17 [0,0,0,0,0,2|2,0,0]=4 193 B18R2.38706 Nc1cc(nc([n+]1[O-])N)NCC2CCOCC2 ee23974904ca265e4c6068926a59e4e1 [0,0,0,0,0,2|2,0,0]=4 194 B18R2.38706 Nc1cc(nc([n+]1[O-])N)NC[C@@H]2CCCOC2 c814c680431a5d59ec05b7669cce8a5d [0,0,0,0,0,2|2,0,0]=4 195 B18R2.38706 Nc1cc(nc([n+]1[O-])N)NC[C@H]2CCCOC2 58cb7c0cd98762ab08aa55216e8973d9 [0,0,0,0,0,2|2,0,0]=4