0 B11R1.13 CCNc1cc[nH]c(=O)c1I 273a92d06a88cb3cb064da2c91656b30 [0,1,0,0,0,0|3,0,0]=4 1 B11R1.13 CCNc1cccc(=O)n1C 2e127ab8153618833517192a42bc1da2 [0,1,0,0,0,0|3,0,0]=4 2 B11R1.13 CCNc1cccc(c1Br)C ed7829251481a3cfde6837ed385be86e [0,1,0,0,0,0|3,0,0]=4 3 B11R1.13 CCNc1cccc(c1Br)Cl 158894c4a11b94ee4a8e9349e4b89b2d [0,1,0,0,0,0|3,0,0]=4 4 B11R1.13 CCNc1cccc(c1Br)F 30f97f271669e6188e3ee7385b9ee2c8 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.13 CCNc1cccc(c1C)C 3642074376e0f2e2a3313ddef04d0dd5 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.13 CCNc1cccc(c1C)Cl c7dcb24cf5249f94cf8709a5e971325b [0,1,0,0,0,0|3,0,0]=4 7 B11R1.13 CCNc1cccc(c1C)F 085b6a6f19242750a2a842b0b869df81 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.13 CCNc1cccc(c1C)I 7c60b619e4b664cada42f0c393672fb5 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.13 CCNc1cccc(c1Cl)C a1e995f2ebe9a127f6cc261e6cf3dfde [0,1,0,0,0,0|3,0,0]=4 10 B11R1.13 CCNc1cccc(c1Cl)Cl 346cc3f6036a3f22cbe4e502ada3fc7a [0,1,0,0,0,0|3,0,0]=4 11 B11R1.13 CCNc1cccc(c1Cl)F d0b20373d5bc5ebded49ed1493e5441c [0,1,0,0,0,0|3,0,0]=4 12 B11R1.13 CCNc1cccc(c1Cl)I 4c891832e0aa6ea79aa799986c7886f1 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.13 CCNc1cccc(c1F)C 8eca6e224d046e6886f547bed2a0735a [0,1,0,0,0,0|3,0,0]=4 14 B11R1.13 CCNc1cccc(c1F)Cl e0807536df738615965d831e0e652575 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.13 CCNc1cccc(c1F)F 3715e23d12884b395bdf76bfd66a9de9 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.13 CCNc1cccc(c1F)I 249c8ffb6d197873b39755e09c3a914d [0,1,0,0,0,0|3,0,0]=4 17 B11R1.13 CCNc1cccc(c1I)C 53e7bebfee04d3458a10932067e1a611 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.13 CCNc1cccc(c1I)F a666d4c9d4c949c2461a0fa3c7b62e4e [0,1,0,0,0,0|3,0,0]=4 19 B11R1.13 CCNc1nc[nH]c(=O)c1Br f63e7f44de8a24796152243648a21045 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.13 CCNc1nccc(c1Br)Br a4b6fb737443080a920004fcd995347c [0,1,0,0,0,0|3,0,0]=4 21 B11R1.13 CCNc1nccc(c1Br)C 2c0fdec026c57070ac0e4937e699358a [0,1,0,0,0,0|3,0,0]=4 22 B11R1.13 CCNc1nccc(c1Br)Cl 21b5141c3d0db0abc150d7582337bc81 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.13 CCNc1nccc(c1Br)F cf390d0cabc099563e13a2764b0acfa2 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.13 CCNc1nccc(c1C)Br 14f71be5b7f3e242e9c1ca571049179d [0,1,0,0,0,0|3,0,0]=4 25 B11R1.13 CCNc1nccc(c1C)C bcf2d5742828a5742a5190d1a60de6ef [0,1,0,0,0,0|3,0,0]=4 26 B11R1.13 CCNc1nccc(c1C)Cl 60cdcac962c7675992f7174fa9bbe808 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.13 CCNc1nccc(c1C)F e012cc70c706f4aed0db23cbe24872db [0,1,0,0,0,0|3,0,0]=4 28 B11R1.13 CCNc1nccc(c1C)I fd50bb40e7d81db9a9a4942fc52a29cf [0,1,0,0,0,0|3,0,0]=4 29 B11R1.13 CCNc1nccc(c1Cl)Br 60f7f0b0e0394dab95d973358d7f15e8 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.13 CCNc1nccc(c1Cl)C e080130e12731ce8a69c87dbf3fa493c [0,1,0,0,0,0|3,0,0]=4 31 B11R1.13 CCNc1nccc(c1Cl)Cl 51f89cac3e004aca62c7b78290916277 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.13 CCNc1nccc(c1Cl)I f3e953feeacab8b833806900b51f2789 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.13 CCNc1nccc(c1Cl)S cf5f0953f46abcb7fba12c046d4b26af [0,1,0,0,0,0|2,1,0]=4 34 B11R1.13 CCNc1nccc(c1F)Br 0bcafa181dc1b1395ebfd0aa228b9a22 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.13 CCNc1nccc(c1F)C 7a3aa00a30b6a81049bb34ad718c3c40 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.13 CCNc1nccc(c1F)Cl ce432c553f8a61dde165fb3715341580 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.13 CCNc1nccc(c1F)F f9db829a1cbf3a578908d4c2617aa371 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.13 CCNc1nccc(c1F)I a75b4bc1baf56dd028e7fa6242d4b882 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.13 CCNc1nccc(c1I)Br 52be7024dd4d51fc67beb7a53259132d [0,1,0,0,0,0|3,0,0]=4 40 B11R1.13 CCNc1nccc(c1I)C 5743dc85cc778400d0043460d22aa509 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.13 CCNc1nccc(c1I)Cl 5c126045717c6d6995b5f40a3e8184b1 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.13 CCOc1cc[nH]c(=O)c1C d1681e51c23756890bf8b1c488a4bb2f [0,1,0,0,0,0|3,0,0]=4 43 B11R1.13 CCOc1cc[nH]c(=O)c1I e57f991e0d114620530d354ff668c2d1 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.13 CCOc1cccc(c1Br)C 269eb92fd0111125f0aaab4f1aec9761 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.13 CCOc1cccc(c1Br)Cl cd35dc4e64a38912564aaa227ff1777f [0,1,0,0,0,0|3,0,0]=4 46 B11R1.13 CCOc1cccc(c1Br)F 9fef5d6a95a31ecc76c97eff3b3d4f5d [0,1,0,0,0,0|3,0,0]=4 47 B11R1.13 CCOc1cccc(c1Br)I 98741aa4f48afdd5bb08fde41ff7219c [0,1,0,0,0,0|3,0,0]=4 48 B11R1.13 CCOc1cccc(c1C)Br 3f8ac55aa301eb651635f39ca8b6324b [0,1,0,0,0,0|3,0,0]=4 49 B11R1.13 CCOc1cccc(c1C)C 316c4d29a046c3b5ba3311300dadfb49 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.13 CCOc1cccc(c1C)Cl ace53365b59e6a437ca81e7f3be8b733 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.13 CCOc1cccc(c1C)F 18fb584cfe40008c4275507f313dd88e [0,1,0,0,0,0|3,0,0]=4 52 B11R1.13 CCOc1cccc(c1C)I 822d56578ac52b25fbf3a38524c7b223 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.13 CCOc1cccc(c1Cl)C f24edeacf2f6ede7c925f383c34bc649 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.13 CCOc1cccc(c1Cl)Cl 3e49686041f483fe38a1856f4dd0e074 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.13 CCOc1cccc(c1Cl)F c7d4c58f4e8f718bcf0f3fc36c99bee0 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.13 CCOc1cccc(c1Cl)I 75e6ecb54aa545d9585404e8679a139f [0,1,0,0,0,0|3,0,0]=4 57 B11R1.13 CCOc1cccc(c1F)C 9d7f361e0033642a9e0a1b6f66b1446b [0,1,0,0,0,0|3,0,0]=4 58 B11R1.13 CCOc1cccc(c1F)Cl 63cf8aed6445997f9d0e30ab051e472c [0,1,0,0,0,0|3,0,0]=4 59 B11R1.13 CCOc1cccc(c1F)F 8d220cb67fadeb28da807ae22721096b [0,1,0,0,0,0|3,0,0]=4 60 B11R1.13 CCOc1cccc(c1F)I 945b392cdf8aab2dc45a7641a5a5fa97 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.13 CCOc1cccc(c1I)C 3820b734fb2310f6f6e7002f219423ce [0,1,0,0,0,0|3,0,0]=4 62 B11R1.13 CCOc1cccc(c1I)Cl e0efdb26f4f9e4a5c4ba70b10623dda9 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.13 CCOc1cccc(c1I)F 925f923c4ea9817709ceb71cf55ff291 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.13 CCOc1nc[nH]c(=O)c1I 96cd5b49b7aa4dd5d2aecdef53feb84c [0,1,0,0,0,0|3,0,0]=4 65 B11R1.13 CCOc1nccc(c1Br)C 296313876ef2286d34d47ba795422f43 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.13 CCOc1nccc(c1C)Br 44e88db7475e68ff34209447905e98cb [0,1,0,0,0,0|3,0,0]=4 67 B11R1.13 CCOc1nccc(c1C)C 700d8aa3da9cbbc30bc23b27933096da [0,1,0,0,0,0|3,0,0]=4 68 B11R1.13 CCOc1nccc(c1C)Cl 55bfbcc4a320974276fd01cfa9bf1347 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.13 CCOc1nccc(c1C)I ac6ab1dcbe9d9970879beee21bf5f683 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.13 CCOc1nccc(c1Cl)Br 2cede9eb47ee851aa535be1e34d6c03c [0,1,0,0,0,0|3,0,0]=4 71 B11R1.13 CCOc1nccc(c1F)I 2578e6e64aa3bf45039990bfc8eba14a [0,1,0,0,0,0|3,0,0]=4 72 B11R1.13 CCOc1nccc(c1I)Cl 03885cd65c2a9974a8a58932e6a48c67 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.27 C=CC(=O)C(=O)N(C)CC d4e4cccc5501d2700ff4e5b5cdff130a [0,0,1,0,0,0|2,0,1]=4 74 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [1,0,1,0,0,0|2,0,0]=4 75 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [1,0,1,0,0,0|2,0,0]=4 76 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [1,0,1,0,0,0|2,0,0]=4 77 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [1,0,1,0,0,0|2,0,0]=4 78 B10R1.10 CCNc1cc(ccn1)Br d059085370442a13584ded71a5ddc9b8 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.10 CCNc1cc(ccn1)C ead6e66bc426bd20a03df23491bb9b54 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.10 CCNc1cc(ccn1)Cl b2a45afedb1a2c06b6d2ed398b1b9fd7 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.10 CCNc1cc(ccn1)F fbdfc8a9a414de8ffb419ecbd943de26 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.10 CCNc1cc(ccn1)I d53a5d370716816198e976ed0d538017 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [1,1,0,0,0,0|2,0,0]=4 84 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [1,1,0,0,0,0|2,0,0]=4 85 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [1,1,0,0,0,0|2,0,0]=4 86 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [1,1,0,0,0,0|1,1,0]=4 89 B10R1.10 CCNc1nccc(=O)[nH]1 6d85a47f7605b912a336f23a28650da0 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.10 CCOc1cc(ccn1)Br 47baa3e649bbd6c09eab191c6164e915 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.10 CCOc1cc(ccn1)C 2da9c0524b55cd9ee02f9192b348218b [1,1,0,0,0,0|2,0,0]=4 92 B10R1.10 CCOc1cc(ccn1)Cl f1569f953b6ce89dfd8a230ba1b746f0 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.10 CCOc1cc(ccn1)F b1acf79f5addc912dd21fb19cb9afccc [1,1,0,0,0,0|2,0,0]=4 94 B10R1.10 CCOc1cccc(=O)[nH]1 c94839f401af37d9f4dfdf393db93386 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [1,1,0,0,0,0|2,0,0]=4 98 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [1,1,0,0,0,0|2,0,0]=4 100 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [1,1,0,0,0,0|1,1,0]=4 101 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [1,1,0,0,0,0|2,0,0]=4 104 B10R1.4 CCNc1ncccc1Br c725f87792bbf69d61dad0e1008718dc [1,1,0,0,0,0|2,0,0]=4 105 B10R1.4 CCNc1ncccc1C a7fd36b27f175706adc74e2aac7526d2 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.4 CCNc1ncccc1Cl 38db51258030951890daf204f7ed0b90 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.4 CCNc1ncccc1F 708bbe73960ac127c7a4adb5124c7937 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.4 CCNc1ncccc1I 816a15b4e18519781f24dc419625ba99 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.4 CCOc1ccccc1Cl 9b9ed61fe6629f2df6b1eaddc9ec2e8a [1,1,0,0,0,0|2,0,0]=4 111 B10R1.4 CCOc1ccccc1F 41f85306b1c4b7c4daecba5a00d66cce [1,1,0,0,0,0|2,0,0]=4 112 B10R1.4 CCOc1ccccc1I 3bfd90529c85539df6076f624de1f80d [1,1,0,0,0,0|2,0,0]=4 113 B10R1.4 CCOc1ncccc1Br f4383148a14f49cafea4eeb34cba2f7d [1,1,0,0,0,0|2,0,0]=4 114 B10R1.4 CCOc1ncccc1C e8543da7a575b70db65e7933cc01e850 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.4 CCOc1ncccc1Cl 4590ed1a2376b9070dd9165912ca6275 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.4 CCOc1ncccc1F a8635691cfd51eb96b174213d32b56ee [1,1,0,0,0,0|2,0,0]=4 117 B10R1.94 CCOC1=C(C(=O)CO1)C 067f03e18600d84d6ec86f992a169f63 [0,1,0,0,1,0|1,0,1]=4 118 B12R1.25 Oc1c(ccnc1NCCBr)F 4b3e4f4e25dac40ff62e3082caff6deb [0,2,0,0,0,0|2,0,0]=4 119 B12R1.25 Oc1c(ccnc1NCCS)F 92c29e8a10f4f381207d5c86b5213dda [0,2,0,0,0,0|2,0,0]=4 120 B12R1.280 CCOc1cccc(c1Br)C=O 6006a5ab3c7a94f20aef6d281609151f [0,2,0,0,0,0|2,0,0]=4 121 B12R1.280 CCOc1cccc(c1C)C=O d6cf9245208c61c009907d4f55db5c0c [0,2,0,0,0,0|2,0,0]=4 122 B12R1.280 CCOc1cccc(c1Cl)C=O ea90b60b7bf499d934b1eb411b849100 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.280 CCOc1cccc(c1F)C=O cdbce39725ce78d7854f3095d7e07f64 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.280 COc1cccc(c1O)NC=O f24d33b6ed6cbfb9d8b9e01d6c4b706d [0,2,0,0,0,0|2,0,0]=4 125 B12R1.280 O=CNc1cccc(c1O)CO d4f8590c4abaa44b246ae11a5ad37a66 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.542 CCNc1cccc(c1CO)Br 024531b98047f34775fbfa56b1d9df29 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.542 CCNc1cccc(c1CO)C fb483782e0d03c5ac8b2e6e353250b10 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.542 CCNc1cccc(c1CO)Cl b8abad453390cd986b00f2a9d92411a5 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.542 CCNc1cccc(c1CO)F 44587f9b529c18ae53af041dabbf5f01 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.542 CCNc1cccc(c1OC)C f66a857a57aec34cfd714340c2a4bb32 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.542 CCNc1cccc(c1OC)Cl 725f14791042b903439232b3c6f57f8c [0,2,0,0,0,0|2,0,0]=4 132 B12R1.542 CCNc1cccc(c1OC)F fd552258e92025087ae8d5b15f8ecb72 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.542 CCNc1nccc(c1CO)C 7397b5eb1c357e1edef73b9b402de849 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.542 CCNc1nccc(c1OC)Br 8e2407bd880a9a1bec9108787f7ff12a [0,2,0,0,0,0|2,0,0]=4 135 B12R1.542 CCNc1nccc(c1OC)Cl d4c5346ce1ddd7bfa66543c3265a9e12 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.542 CCNc1nccc(c1OC)F 0cea56223725db8e8ba04eb35f7aa5c9 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.542 CCOc1cccc(c1OC)C 739b20fd9160a9ca4145a6dacd6dc702 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.542 CCOc1cccc(c1OC)Cl ee2cb4cf62363143d056638bbbe1c69f [0,2,0,0,0,0|2,0,0]=4 139 B12R1.542 CCOc1cccc(c1OC)F c6fa6a4db5b3c3f216313dc0914eec82 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.542 CCOc1cccc(c1OC)I 19b4dc84424338cd39f69a797dc222d0 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.1112 CCOc1c(cccc1CC)Br 062942e852ebff9bed736ae2eac4f6e9 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.1112 CCOc1c(cccc1CC)C eb4937b8d908671e2163bc0bff8f17a4 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.1112 CCOc1c(occc1=O)CC ba2adcf29a49aed5af38b6be12fb99e1 [0,2,0,0,0,0|0,0,0]=2 144 B12R1.1112 CCc1cccc(c1NCO)C 386c4f7c3ec8b270e8eebd54f8fd970a [0,2,0,0,0,0|2,0,0]=4 145 B12R1.1112 CCc1cccc(c1OCF)Br 3a35efedd80dd5ca11e82f01005d6bca [0,2,0,0,0,0|2,0,0]=4 146 B12R1.1112 CCc1cccc(c1OCF)C 15dfc916b2328cbd229af1db3dea4cdd [0,2,0,0,0,0|2,0,0]=4 147 B12R1.1112 CCc1nccc(c1NCO)C 738aeac1115886fc1b7642055e10cb57 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.1112 CCc1occc(=O)c1OCF 776201f34f587ba6cb80b0425233154c [0,2,0,0,0,0|0,0,0]=2