0 B11R1.13 Cc1cccc(c1Br)NC=O 181885ab6e30039f3b9dc589d9bbf1ab [0,0,1,0,0,0|2,0,1]=4 1 B11R1.13 Cc1cccc(c1C)NC=O b052de2d2e2c7416164b100a16a0c4e7 [0,0,1,0,0,0|2,0,1]=4 2 B11R1.13 Cc1cccc(c1Cl)NC=O 37f9656895fe01f111917345c21dec00 [0,0,1,0,0,0|2,0,1]=4 3 B11R1.13 Cc1cccc(c1F)NC=O 41f52056fbc32f2090a82dcfb00d40ce [0,0,1,0,0,0|2,0,1]=4 4 B11R1.13 Cc1cccc(c1O)NC=O fdf29ae661c974846d552f60f7aca7b4 [0,0,1,0,0,0|2,0,1]=4 5 B11R1.16 C=CCN(C)c1ccccn1 d1965239475cc8283ac27acb48b569ca [0,0,1,0,0,0|2,0,1]=4 6 B11R1.16 C=CCN(C)c1cccnc1 4d9cbfab931614ef9e9cc7b0df80f0bd [0,0,1,0,0,0|2,0,1]=4 7 B11R1.16 C=CCN(C)c1cnccn1 cc787492a46ddbcf60b305b71c24191e [0,0,1,0,0,0|1,0,1]=3 8 B11R1.16 C=CCN(C)c1nccnn1 5a89404f2d3b99731f155ef119e1fc1f [0,0,1,0,0,0|2,0,1]=4 9 B11R1.16 CC(NC=O)c1cnccn1 b12aa70178da0d6f388963a11219364c [0,0,1,0,0,0|2,0,1]=4 10 B11R1.16 CN(CC=O)c1cnccn1 7c6a09d326b306da2afe6afe92255679 [0,0,1,0,0,0|2,0,1]=4 11 B11R1.17 C=CCNc1ccccc1C 227804e9ec39e8a3152168e4771a33a4 [0,0,1,0,0,0|1,0,2]=4 12 B11R1.17 C=CCOc1ccccc1C 420c56a798f432c55ab7076030ddf302 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.17 Cc1ccccc1CNC=O a0b11915ba3bdfe6d1bbea580cf346f5 [0,0,1,0,0,0|3,0,0]=4 14 B11R1.17 Cc1ccccc1NCC=O 3978b3e144b493b059eb1f48959067dc [0,0,1,0,0,0|1,0,2]=4 15 B11R1.17 Cc1ccccc1OCC=O e0558a57ba2ba7c3e857a3e3bd611b2b [0,0,1,0,0,0|2,0,1]=4 16 B11R1.24 C=CCNc1cccc(c1)C 173e403cf0963a6de904610bdd677509 [0,0,1,0,0,0|1,0,2]=4 17 B11R1.24 C=CCOc1cccc(c1)C e1142b28e80a4fc87fd34559eb6a5af1 [0,0,1,0,0,0|2,0,1]=4 18 B11R1.24 Cc1cccc(c1)CNC=O f999de901cc8b568a96ef98318b0e85f [0,0,1,0,0,0|3,0,0]=4 19 B11R1.24 Cc1cccc(c1)NCC=O 02b27afd26a0d485177136f96a1c2349 [0,0,1,0,0,0|1,0,2]=4 20 B11R1.24 Cc1cccc(c1)OCC=O d45d2710eb10d050ca7ae3507eaed4d8 [0,0,1,0,0,0|2,0,1]=4 21 B11R1.28 C/C=C/CNc1ccccn1 5a61b9aee47fe046ef4ac884866e0a57 [0,0,1,0,0,0|2,0,1]=4 22 B11R1.28 C/C=C/CNc1cccnc1 016f8674f0de62bc0968120f36183bbf [0,0,1,0,0,0|2,0,1]=4 23 B11R1.28 C/C=C/CNc1cnccn1 5d6aa3ff812a6eaf94686ca08968ea31 [0,0,1,0,0,0|1,0,1]=3 24 B11R1.28 C/C=C/CNc1cnncn1 38363ad2bc2d7c3a6c0676f51ff9bdd4 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.28 C/C=C/CNc1nccnn1 7cb1ffb76fec5990e045c63c1707bb7a [0,0,1,0,0,0|2,0,1]=4 26 B11R1.28 C/C=C/COc1ccccn1 ed755d9f4a3a906e4d287cc92f6a9256 [0,0,1,0,0,0|2,0,1]=4 27 B11R1.28 C/C=C/COc1cccnc1 182aabd1e115f20a2221ff63f4609b70 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.28 C/C=C/COc1cnccn1 85823c1c6d2023da6588af5580a5caba [0,0,1,0,0,0|1,0,1]=3 29 B11R1.28 C/C=C/COc1cncnn1 d24de98ff659d5b6dd4737d516aec4de [0,0,1,0,0,0|2,0,1]=4 30 B11R1.28 C/C=C\CNc1ccccn1 c173af20e99f83d9a5c456a592ef1e15 [0,0,1,0,0,0|2,0,1]=4 31 B11R1.28 C/C=C\CNc1cccnc1 be373d2993e9bf82390bd09b9626574e [0,0,1,0,0,0|2,0,1]=4 32 B11R1.28 C/C=C\CNc1cnccn1 7027c690ceaa69d20b23aebd92f8f62a [0,0,1,0,0,0|1,0,1]=3 33 B11R1.28 C/C=C\CNc1cnncn1 11687f2072e073bfb4099b085c32a2a0 [0,0,1,0,0,0|2,0,1]=4 34 B11R1.28 C/C=C\CNc1nccnn1 ae5c6bfccac10c8f863ed0384c125211 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.28 C/C=C\COc1ccccn1 69073974b597ab405a0094b540a97f81 [0,0,1,0,0,0|2,0,1]=4 36 B11R1.28 C/C=C\COc1cccnc1 d486f9f7e5b795e5a8aedabfa7f6ce63 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.28 C/C=C\COc1cnccn1 c00ea75da659218ea75bb003849efbfc [0,0,1,0,0,0|1,0,1]=3 38 B11R1.28 C/C=C\COc1cncnn1 05e3981d68fd6c843435722b4cd6e978 [0,0,1,0,0,0|2,0,1]=4 39 B11R1.28 CC=CCNc1ccccn1 dff63d253924f7dd0d25e5ccec37e70c [0,0,1,0,0,0|2,0,1]=4 40 B11R1.28 CC=CCNc1cccnc1 712a10215e7a39b6e923461fbfb9f854 [0,0,1,0,0,0|2,0,1]=4 41 B11R1.28 CC=CCNc1cnccn1 624a4e385f3a26516887975ae8830dc4 [0,0,1,0,0,0|1,0,1]=3 42 B11R1.28 CC=CCNc1cncnn1 4ae22734a6613ebc4bdabe33d914a711 [0,0,1,0,0,0|2,0,1]=4 43 B11R1.28 Cl/C=C/CNc1cnccn1 e8671713dc6a06cebb41104eaae1499e [0,0,1,0,0,0|2,0,1]=4 44 B11R1.28 Cl/C=C/COc1cnccn1 93836513adf36447c946d6aa52435be4 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.28 Cl/C=C\CNc1cnccn1 fcc2e741b817023bf28c61cda14bd03e [0,0,1,0,0,0|2,0,1]=4 46 B11R1.28 Cl/C=C\COc1cnccn1 10fb739c9a0db182f545820f9f4cb27a [0,0,1,0,0,0|2,0,1]=4 47 B11R1.28 O/C=C\CNc1cnccn1 42856907adf1463c572cd4925a22f64f [0,0,1,0,0,0|2,0,1]=4 48 B11R1.41 CCc1nccnc1NC=O 619ab142ddd8ffd8cc79e691509afd80 [0,0,1,0,0,0|2,0,1]=4 49 B11R1.41 COc1nccnc1NC=O 7a05052076c50d6256b37a426b38925a [0,0,1,0,0,0|3,0,0]=4 50 B11R1.41 O=CNc1nccnc1C=O 94d399889d2bd88bd99ca4db209ae3d2 [0,0,1,0,0,0|3,0,0]=4 51 B11R1.222 CN(C=O)c1nccnc1Cl 0d08066d4784478757ba6db0d16a0737 [0,0,1,0,0,0|3,0,0]=4 52 B11R1.222 Cc1nccnc1N(C)C=O 03976daf01a3a8e9ef35e3b8de40aebc [0,0,1,0,0,0|2,0,1]=4 53 B11R1.605 Cc1cccc(c1NC=O)F 9933ecf81495add00429c360a8733743 [0,0,1,0,0,0|2,0,1]=4 54 B11R1.605 Cc1cccc(c1NC=O)I b5bc4c24a173a4bb8c8f27a3b33107da [0,0,1,0,0,0|2,0,1]=4 55 B10R1.4 Cc1ccccc1NC=O 93463d97863750f67f3c00d910f09802 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.4 Cc1nccnc1NC=O 8a484b3cbf5462e9e715573d77acff31 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.10 Cc1cccc(c1)NC=O 05038cbe055575047c41b1e8757f2545 [1,0,1,0,0,0|1,0,1]=4 58 B10R1.17 C=CCNc1cnccn1 7e2fedbeb6954ebe9f1fbde2a577d90a [1,0,1,0,0,0|1,0,1]=4 59 B10R1.17 C=CCOc1cnccn1 4666c6b00a4f4348694de26ab0f9e595 [1,0,1,0,0,0|1,0,1]=4 60 B12R1.25 C=CCNc1cccc(c1Br)C 3b3601856f30c29b16f944ed791abc7a [0,1,1,0,0,0|1,0,1]=4 61 B12R1.25 C=CCNc1cccc(c1C)C fb4b36cd850f8ef4680131fb75ebb19a [0,1,1,0,0,0|1,0,1]=4 62 B12R1.25 C=CCNc1cccc(c1Cl)C e6545135a941afea896f8b013368e8b3 [0,1,1,0,0,0|1,0,1]=4 63 B12R1.25 C=CCNc1cccc(c1F)C d96ac0156a2c554ff360d4c0876679ea [0,1,1,0,0,0|1,0,1]=4 64 B12R1.25 C=CCNc1cccc(c1I)C 24c19bd39ae35ce53b75dfc5fb52317e [0,1,1,0,0,0|1,0,1]=4 65 B12R1.25 C=CCOc1cccc(c1Br)C c7d6a00002c50dffeb6950930903977d [0,1,1,0,0,0|2,0,0]=4 66 B12R1.25 C=CCOc1cccc(c1C)C 760e80cbecfdaee56251d49fc5acd03b [0,1,1,0,0,0|2,0,0]=4 67 B12R1.25 C=CCOc1cccc(c1Cl)C 497d8b654ec924972108c35f8f0e800c [0,1,1,0,0,0|2,0,0]=4 68 B12R1.25 C=CCOc1cccc(c1F)C 9148ca4a1a3108f6c034b72e350030e6 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.25 C=CCOc1cccc(c1I)C a3077b64062eb2971550f763f9e47751 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.3 C=CCN(CC)c1cnccn1 3ec8a4f5e3334827489e21fd73ddc16b [0,1,1,0,0,0|1,0,1]=4 71 B12R1.16 C=CCN(C)c1cnc(cn1)Br 88d5f25d01bb5ef4a7370c51fe9bc422 [0,1,1,0,0,0|1,0,1]=4 72 B12R1.16 C=CCN(C)c1cnc(cn1)C 0134fa68324e11335fc74f883480da71 [0,1,1,0,0,0|1,0,1]=4 73 B12R1.16 C=CCN(C)c1cnc(cn1)Cl 452328f7e2a39f1544e156798676b049 [0,1,1,0,0,0|1,0,1]=4 74 B12R1.16 C=CCN(C)c1cnc(cn1)F bfbbbb1a296c1ef1e25faa661907728b [0,1,1,0,0,0|1,0,1]=4 75 B12R1.17 C=CCN(C)c1cncc(n1)Br 2b07cce43033552adb0051cfb90a3a19 [0,1,1,0,0,0|1,0,1]=4 76 B12R1.17 C=CCN(C)c1cncc(n1)C 1e8c0d908848a33d0d673e01fb1457a4 [0,1,1,0,0,0|1,0,1]=4 77 B12R1.17 C=CCN(C)c1cncc(n1)Cl eb35c8328c3935c5d6d2b96a8e2ab42c [0,1,1,0,0,0|1,0,1]=4 78 B12R1.30 C/C=C/CN(C)c1cnccn1 a8e234a0ff8c07718f97ddcd12184f59 [0,1,1,0,0,0|1,0,1]=4 79 B12R1.30 C/C=C\CN(C)c1cnccn1 12920e817e02a27813bab9d396222f43 [0,1,1,0,0,0|1,0,1]=4 80 B12R1.30 C=CCCN(C)c1cnccn1 4fb43e2d4e5cb266dd87fc4765572d07 [0,1,1,0,0,0|1,0,1]=4 81 B12R1.30 C=CCNC(C)c1cnccn1 f826cd65c2cd068b9e99c8f439102db7 [0,1,1,0,0,0|0,0,2]=4 82 B12R1.30 C=CCOC(C)c1cnccn1 22167fbc934fc0142374816a614e2c0d [0,1,1,0,0,0|0,0,2]=4 83 B12R1.30 C=CCO[C@@H](C)c1cnccn1 cde8fd2d11211a43befc9d68b46a189d [0,1,1,0,0,0|0,0,2]=4 84 B12R1.30 C=CCO[C@H](C)c1cnccn1 d4fd749c56e8e4e5ae033e7fc7aa6497 [0,1,1,0,0,0|0,0,2]=4 85 B12R1.30 CN(C/C=C/Cl)c1cnccn1 2d629863c6c8dc9aff65c61958e30210 [0,1,1,0,0,0|1,0,1]=4 86 B12R1.30 CN(C/C=C\Cl)c1cnccn1 f702aebde3d2d8e3964092c5de0555b0 [0,1,1,0,0,0|1,0,1]=4 87 B12R1.30 CN(C/C=C\O)c1cnccn1 1ece53559bdde99e331a85418f06101d [0,1,1,0,0,0|1,0,1]=4 88 B12R1.34 C=CC(=O)N(C)c1ccccn1 c52028e19112aae4977a4f2a8477d094 [0,1,1,0,0,0|2,0,0]=4 89 B12R1.34 C=CC(=O)N(C)c1cccnc1 50a29cc4cfb53019dc0a17e0bd9b12f0 [0,1,1,0,0,0|2,0,0]=4 90 B12R1.34 C=CC(=O)N(C)c1cnccn1 07a45d88f602cd8447371c050f4145d1 [0,1,1,0,0,0|1,0,0]=3 91 B12R1.34 C=CC(C)N(C)c1cnccn1 1d68bc3958a79d8d20d10b3272ed1eea [0,1,1,0,0,0|1,0,1]=4 92 B12R1.34 CN(C(=O)C=O)c1cnccn1 7ea9e39bdb156453efdff098025e6e0c [0,1,1,0,0,0|2,0,0]=4 93 B12R1.107 C=C(Br)CN(C)c1cnccn1 582d51f5dfc2d10d1ec2076804cef0c8 [0,1,1,0,0,0|1,0,1]=4 94 B12R1.107 C=C(C)CN(C)c1cnccn1 aac1ded1943f3887c430d0df9a855701 [0,1,1,0,0,0|1,0,1]=4 95 B12R1.107 C=C(Cl)CN(C)c1cnccn1 8fa80d040122708ca7ca5d877435e8cb [0,1,1,0,0,0|1,0,1]=4 96 B12R1.107 C=C(F)CN(C)c1cnccn1 bad149396be6874a75869c10da9311a2 [0,1,1,0,0,0|1,0,1]=4 97 B12R1.308 C=CCN(C)c1nccnc1C dc24dd29c626ad1c5f76600eb8487fe7 [0,1,1,0,0,0|1,0,1]=4 98 B12R1.308 C=CCN(C)c1nccnc1Cl 454e960e59d9e70a6479cf14e0e4939a [0,1,1,0,0,0|1,0,1]=4 99 B12R1.308 C=CCN(C)c1nccnc1F 27fcee504b47561dbef4d524ac1f65ae [0,1,1,0,0,0|1,0,1]=4 100 B12R1.267 C/C=C/CNc1ccccc1C 99bc8a92ed1ace18679e2408606f3364 [0,1,1,0,0,0|1,0,1]=4 101 B12R1.267 C/C=C/COc1ccccc1C dce1e2cf7549461e4472af0213bfe590 [0,1,1,0,0,0|2,0,0]=4 102 B12R1.267 C/C=C\CNc1ccccc1C 68ea7ffbacfbcab8c5090428fecdfc68 [0,1,1,0,0,0|1,0,1]=4 103 B12R1.267 C/C=C\COc1ccccc1C ce1881f33dc4a07b3ef4b747164c5783 [0,1,1,0,0,0|2,0,0]=4 104 B12R1.267 CC=CCNc1ccccc1C 6c625ce9f8fd51bea675332d8ecee0b4 [0,1,1,0,0,0|1,0,1]=4 105 B12R1.267 Cc1ccccc1NC/C=C/Cl 76b6e6caa9d31ea263ed285f901eb563 [0,1,1,0,0,0|1,0,1]=4 106 B12R1.267 Cc1ccccc1NC/C=C\Cl af5a7fdc2ac8bfd15810a141bdf29d09 [0,1,1,0,0,0|1,0,1]=4 107 B12R1.267 Cc1ccccc1NC/C=C\O e209ed49eeb2421b7d0894c2af288847 [0,1,1,0,0,0|1,0,1]=4 108 B12R1.267 Cc1ccccc1OC/C=C/Cl 6d75ead4efabd09d208cb4b128a66ac1 [0,1,1,0,0,0|2,0,0]=4 109 B12R1.267 Cc1ccccc1OC/C=C\Cl 3bddba132224f29245a95416191a087a [0,1,1,0,0,0|2,0,0]=4 110 B12R1.371 C=CC(=O)Nc1ccccc1C acb3e10026991d61c64ba4069b9746f5 [0,1,1,0,0,0|1,0,1]=4 111 B12R1.371 Cc1ccccc1NC(=O)C=O c48e8fd2ba5e58f34d83735c8fa1debf [0,1,1,0,0,0|1,0,1]=4 112 B12R1.28 C/C=C/CNc1cccc(c1)C 8da617065114d03b678a93cf249b27f7 [0,1,1,0,0,0|1,0,1]=4 113 B12R1.28 C/C=C/COc1cccc(c1)C 3ba4d822cba50bbc6be0b4bb2f2ebb3d [0,1,1,0,0,0|2,0,0]=4 114 B12R1.28 C/C=C\CNc1cccc(c1)C d9d5a3b664a5f0201836bd778c9a0849 [0,1,1,0,0,0|1,0,1]=4 115 B12R1.28 C/C=C\COc1cccc(c1)C 8f36ad1133ab371e69bffa981477ceda [0,1,1,0,0,0|2,0,0]=4 116 B12R1.28 CC=CCNc1cccc(c1)C 30ec1285d9bc656faa9242a94847159d [0,1,1,0,0,0|1,0,1]=4 117 B12R1.28 Cc1cccc(c1)NC/C=C/Cl 98ac79b3da1847d1dd1a78ffc7e5b093 [0,1,1,0,0,0|1,0,1]=4 118 B12R1.28 Cc1cccc(c1)NC/C=C\Cl cd348f4d584c5591d9b7bbe49b8f0697 [0,1,1,0,0,0|1,0,1]=4 119 B12R1.28 Cc1cccc(c1)NC/C=C\O c7010db5847beca6cb09d1b8488a6efc [0,1,1,0,0,0|1,0,1]=4 120 B12R1.28 Cc1cccc(c1)OC/C=C/Cl 9037dd5a990de15c270ec61c89c14278 [0,1,1,0,0,0|2,0,0]=4 121 B12R1.28 Cc1cccc(c1)OC/C=C\Cl d1571fcc028e84e3b10f8a86ba31f081 [0,1,1,0,0,0|2,0,0]=4 122 B12R1.50 C=CC(=O)Nc1cccc(c1)C d548557b52a2efa30bffb47407de5415 [0,1,1,0,0,0|1,0,1]=4 123 B12R1.50 Cc1cccc(c1)NC(=O)C=O 04381f8f7ac23bd03987503a439afe38 [0,1,1,0,0,0|1,0,1]=4 124 B12R1.1 C/C=C/CNc1cnc(cn1)Br e5a0bd3d13ec43647325a9b1de47c3f6 [0,1,1,0,0,0|1,0,1]=4 125 B12R1.1 C/C=C/CNc1cnc(cn1)C 5e77af3b8ca3eb4862315c3b80f39d43 [0,1,1,0,0,0|1,0,1]=4 126 B12R1.1 C/C=C/CNc1cnc(cn1)Cl 2125a79237d4f3651a64311bdee65f62 [0,1,1,0,0,0|1,0,1]=4 127 B12R1.1 C/C=C/CNc1cnc(cn1)I 63165e369a4a1b500234605e0061d97d [0,1,1,0,0,0|1,0,1]=4 128 B12R1.1 C/C=C/COc1cnc(cn1)Br 0a34273db31658f63c4720da71cf1c14 [0,1,1,0,0,0|1,0,1]=4 129 B12R1.1 C/C=C/COc1cnc(cn1)C 5d843fb53e2ffcadfe20169673dd6fa8 [0,1,1,0,0,0|1,0,1]=4 130 B12R1.1 C/C=C/COc1cnc(cn1)Cl 13de800ad7f1b5bdbb55d3b3b53bb5b3 [0,1,1,0,0,0|1,0,1]=4 131 B12R1.1 C/C=C/COc1cnc(cn1)I b463c986ca5612f634c08cdbda11e75f [0,1,1,0,0,0|1,0,1]=4 132 B12R1.1 C/C=C\CNc1cnc(cn1)Br 949e99fa27b7b23c0673fc30fba6f5cc [0,1,1,0,0,0|1,0,1]=4 133 B12R1.1 C/C=C\CNc1cnc(cn1)C f8320de02e15c7c277fd512dd5aad578 [0,1,1,0,0,0|1,0,1]=4 134 B12R1.1 C/C=C\CNc1cnc(cn1)Cl 7fff78a3c66b2100a3342d46077247a6 [0,1,1,0,0,0|1,0,1]=4 135 B12R1.1 C/C=C\CNc1cnc(cn1)I 962e0ca64e76c0f123dbe9ca28f3bb2e [0,1,1,0,0,0|1,0,1]=4 136 B12R1.1 C/C=C\COc1cnc(cn1)Br a4f2de17a8f3b96fd35bead87fcf7064 [0,1,1,0,0,0|1,0,1]=4 137 B12R1.1 C/C=C\COc1cnc(cn1)C 4081670f7a60f743d3450f14bf4c9fe3 [0,1,1,0,0,0|1,0,1]=4 138 B12R1.1 C/C=C\COc1cnc(cn1)Cl 78575afc3b0b5aecc8ed54fad46bf4be [0,1,1,0,0,0|1,0,1]=4 139 B12R1.1 C/C=C\COc1cnc(cn1)I 542b91e96c74fd15f22a3af2dd558fa9 [0,1,1,0,0,0|1,0,1]=4 140 B12R1.1 CC=CCNc1cnc(cn1)C 1921ec09231cd898b32bf2d811a76360 [0,1,1,0,0,0|1,0,1]=4 141 B12R1.1 CC=CCNc1cnc(cn1)F f24d7b614f520fa78b053893448562a3 [0,1,1,0,0,0|1,0,1]=4 142 B12R1.1 CC=CCNc1cnc(cn1)O 405c533639e8bc139580ab5eba650601 [0,1,1,0,0,0|1,0,1]=4 143 B12R1.8 C/C=C/CNCc1cnccn1 bc37e6988f58e50df247b59a4901a4ad [0,1,1,0,0,0|0,0,2]=4 144 B12R1.8 C/C=C/COCc1cnccn1 7f70b85635db06ccdcd0b37ae0b4ba8f [0,1,1,0,0,0|0,0,2]=4 145 B12R1.8 C/C=C\CNCc1cnccn1 6e636615f0edab030e79013230f65e73 [0,1,1,0,0,0|0,0,2]=4 146 B12R1.8 C/C=C\COCc1cnccn1 ea3c80b2a3c08d276c3f998ca6b9464a [0,1,1,0,0,0|0,0,2]=4 147 B12R1.8 CC/C=C/CNc1cnccn1 1c624a9557cb3232a4ec125302039eaf [0,1,1,0,0,0|0,0,2]=4 148 B12R1.8 CC/C=C/COc1cnccn1 d6fd5361fa1d59a46f726dfab945fb55 [0,1,1,0,0,0|0,0,2]=4 149 B12R1.32 C/C=C/C(=O)Nc1ccccn1 fbe15365814713cb3247d141f6602b0f [0,1,1,0,0,0|2,0,0]=4 150 B12R1.32 C/C=C/C(=O)Nc1cccnc1 8cf296947079f8325abe699420205b81 [0,1,1,0,0,0|2,0,0]=4 151 B12R1.32 C/C=C/C(=O)Nc1cnccn1 668dcfc8ccc6b572965b4db6571c160c [0,1,1,0,0,0|1,0,0]=3 152 B12R1.32 C/C=C/C(=O)Nc1cnncn1 6a6ee0e057604b6d4fb186f13120221b [0,1,1,0,0,0|2,0,0]=4 153 B12R1.32 O=C(/C=C/Br)Nc1cnccn1 8ce54715b62f2402f0c34a54c49dc38d [0,1,1,0,0,0|2,0,0]=4 154 B12R1.32 O=C(/C=C/Cl)Nc1cnccn1 28fa33254a81c5302c7d8bab3c8b6c5e [0,1,1,0,0,0|2,0,0]=4 155 B12R1.32 O=C(/C=C/I)Nc1cnccn1 3bcb9f5d47767da8a568707c37fae800 [0,1,1,0,0,0|2,0,0]=4 156 B12R1.32 O=C(/C=C\Br)Nc1cnccn1 48f33b74ca38f650e7d48558f19dec8d [0,1,1,0,0,0|2,0,0]=4 157 B12R1.32 O=C(/C=C\Cl)Nc1cnccn1 bfb2f56d51f2c605929454ff0b1c7392 [0,1,1,0,0,0|2,0,0]=4 158 B12R1.32 O=C(/C=C\I)Nc1cnccn1 fe46b676968310215d19907b4499793d [0,1,1,0,0,0|2,0,0]=4 159 B12R1.32 O=C(C=CBr)Nc1cnccn1 bb0072cf6d90d6a0745760ace26751d4 [0,1,1,0,0,0|2,0,0]=4 160 B12R1.32 O=C(C=CI)Nc1cnccn1 4618ca95bd9293f1248154827c394100 [0,1,1,0,0,0|2,0,0]=4 161 B12R1.252 C/C(=C/CNc1cnccn1)/I 80a23f941718e830f704ad11950b7eec [0,1,1,0,0,0|1,0,1]=4 162 B12R1.252 C/C(=C/COc1cnccn1)/I 981335015e42d717840007bdaceef3e3 [0,1,1,0,0,0|1,0,1]=4 163 B12R1.252 C/C(=C\CNc1cnccn1)/Cl df5e2040a9bdb1691b16f5cf0a595486 [0,1,1,0,0,0|1,0,1]=4 164 B12R1.252 C/C(=C\COc1cnccn1)/Cl 417343144fe978f86c9c7e1cccc5cb2c [0,1,1,0,0,0|1,0,1]=4 165 B12R1.252 CC(=CCNc1cnccn1)C a6a45cf44a8dfb07f364345c191f2260 [0,1,1,0,0,0|1,0,1]=4 166 B12R1.252 CC(=CCNc1cnccn1)Cl 3292f2da75f4239cedaa514b2d8e6615 [0,1,1,0,0,0|1,0,1]=4 167 B12R1.252 CC(=CCNc1cnccn1)I 1b7da0a91d7ba62364d807f7e1ca9e41 [0,1,1,0,0,0|1,0,1]=4 168 B12R1.252 CC(=CCOc1cnccn1)C 823470a3be6eead9fe26a9645b6fc2da [0,1,1,0,0,0|1,0,1]=4 169 B12R1.252 CC(=CCOc1cnccn1)Cl 70672e8bb9b5b5d2e16e7341dc42d1fa [0,1,1,0,0,0|1,0,1]=4 170 B12R1.252 CC(=CCOc1cnccn1)I 751b93f2b63246ae3c92aa80f84fe4bd [0,1,1,0,0,0|1,0,1]=4 171 B12R1.283 CC(=O)c1nccnc1NC=O 3f20d95f100c2ef0f8f7ae5785916117 [0,1,1,0,0,0|2,0,0]=4 172 B14R2.7150 CCNc1cccc2c1cccn2 e6e7ed27fc40b55a2f7560267ff11a70 [0,2,0,0,0,0|1,0,0]=3 173 B14R2.7150 CCNc1cccc2c1cncn2 5975b0d7e2d2e48f47f64f60188ec38e [0,2,0,0,0,0|2,0,0]=4 174 B14R2.7150 CCNc1cccc2c1nccc2 16d8e66823aead4cb4dfb3523fefe361 [0,2,0,0,0,0|1,0,0]=3 175 B14R2.7150 CCNc1cccc2c1nccn2 b08671b57b0056e2ea6ad79cebca8f59 [0,2,0,0,0,0|0,0,0]=2 176 B14R2.7150 CCNc1cccc2c1ncnc2 01d7e271751d5727f0795eb43382b99f [0,2,0,0,0,0|2,0,0]=4 177 B14R2.7150 CCNc1ccnc2c1nccc2 491f193ae65f3c761d71f00c0aa7b36c [0,2,0,0,0,0|2,0,0]=4 178 B14R2.7150 CCNc1cncc2c1nccc2 264aab5818dabe01fad0e2baff7ebba7 [0,2,0,0,0,0|2,0,0]=4 179 B14R2.7150 CCNc1nccc2c1cccn2 a939f96db9e83fe888d8e03c7b86aaba [0,2,0,0,0,0|2,0,0]=4 180 B14R2.7150 CCNc1nccc2c1nccc2 2204f9826d402a0b8090e1d4f71d31e2 [0,2,0,0,0,0|2,0,0]=4 181 B14R2.7150 CCOc1cccc2c1CC=CC2 0f838d40d77dcf7c2d94d58025b14e7f [0,2,0,0,0,0|2,0,0]=4 182 B14R2.7150 CCOc1cccc2c1cccc2 99a6a3a46ff0c7e3e8a1d045886b7fc6 [0,2,0,0,0,0|2,0,0]=4 183 B14R2.7150 CCOc1cccc2c1cccn2 af785ad7c99ea92e4c3fda59829da971 [0,2,0,0,0,0|1,0,0]=3 184 B14R2.7150 CCOc1cccc2c1nccc2 970e32578de3b39f9261281a21a4cbd5 [0,2,0,0,0,0|1,0,0]=3 185 B14R2.7150 CCOc1cccc2c1nccn2 1c2cda7a2d3ed25a0c3c32df22b8968d [0,2,0,0,0,0|0,0,0]=2 186 B14R2.7150 CCOc1cccc2c1ncnc2 95a7f1266544940a67970d2c04207a61 [0,2,0,0,0,0|2,0,0]=4 187 B14R2.7150 CCOc1ccnc2c1cccn2 892aaf71c0d8621d487ff831683ecc8a [0,2,0,0,0,0|2,0,0]=4 188 B14R2.7150 CCOc1ccnc2c1nccc2 e4285e87aa0eb0b9b770c25854798d2c [0,2,0,0,0,0|2,0,0]=4 189 B14R2.7150 CCOc1ncnc2c1nccn2 ace04aebebb493f704bd07c53f77a61b [0,2,0,0,0,0|2,0,0]=4 190 B14R2.7150 FCNc1cccc2c1cccn2 f0815339f190f9dc592af7c16a5f84eb [0,2,0,0,0,0|1,0,0]=3 191 B14R2.7150 FCNc1cccc2c1cncn2 19fca11c1e27db39b7f9386c732a529f [0,2,0,0,0,0|2,0,0]=4 192 B14R2.7150 FCNc1cccc2c1nccc2 23d3e4b5153bf5a765774036a29adb6e [0,2,0,0,0,0|1,0,0]=3 193 B14R2.7150 FCNc1cccc2c1nccn2 11207b39b39015386b95c8a3f613a0e9 [0,2,0,0,0,0|0,0,0]=2 194 B14R2.7150 FCNc1cccc2c1ncnc2 b37106585b6f501cc93ee63905264014 [0,2,0,0,0,0|2,0,0]=4 195 B14R2.7150 FCNc1ccnc2c1nccc2 04b530e9012f358ca5b47ab5c69c6ee9 [0,2,0,0,0,0|2,0,0]=4 196 B14R2.7150 FCNc1cncc2c1nccc2 37bfd9fba72c18f4843548bf90bddf2e [0,2,0,0,0,0|2,0,0]=4 197 B14R2.7150 FCNc1nccc2c1cccn2 41074a0a71234e8dfb208adb60d11343 [0,2,0,0,0,0|2,0,0]=4 198 B14R2.7150 FCNc1nccc2c1nccc2 2cea782ffaa5045f55dbfccab897f989 [0,2,0,0,0,0|2,0,0]=4 199 B14R2.7150 FCOc1cccc2c1CC=CC2 b04bcdba018b2dd5d9cc3a0327a85b27 [0,2,0,0,0,0|2,0,0]=4 200 B14R2.7150 FCOc1cccc2c1cccc2 342779f054d02ae865cdda589c7fc5f6 [0,2,0,0,0,0|2,0,0]=4 201 B14R2.7150 FCOc1cccc2c1cccn2 bc60e257d8bf39c602516e60821d9ba3 [0,2,0,0,0,0|1,0,0]=3 202 B14R2.7150 FCOc1cccc2c1nccc2 36246ce4b6c280392aa2fe86d0ec588b [0,2,0,0,0,0|1,0,0]=3 203 B14R2.7150 FCOc1cccc2c1nccn2 bc014e790f31d6566218762d8d49c441 [0,2,0,0,0,0|0,0,0]=2 204 B14R2.7150 FCOc1ccnc2c1cccn2 8859b1a01ef79661b76307b24305d82e [0,2,0,0,0,0|2,0,0]=4 205 B14R2.7150 FCOc1ccnc2c1nccc2 844c1047d3a11ef9cd71a99685ac0609 [0,2,0,0,0,0|2,0,0]=4 206 B14R2.7150 FCOc1ncnc2c1nccn2 11270111d2169ec823127b3e9df5be74 [0,2,0,0,0,0|2,0,0]=4 207 B14R2.7150 O=CNc1cccc2c1cccn2 c17bde8efd2e277b8f85fca60510e6f4 [0,2,0,0,0,0|1,0,1]=4 208 B14R2.7150 O=CNc1cccc2c1nccc2 d9815af5b96430d572960e0e6b1684dd [0,2,0,0,0,0|1,0,1]=4 209 B14R2.7150 O=CNc1cccc2c1nccn2 80a0e83a1c19ea6cd06a40598cf47c96 [0,2,0,0,0,0|0,0,1]=3 210 B14R2.7150 OCNc1cccc2c1cccn2 3d08b2fcf36de2f15a47d4c41dcbb26e [0,2,0,0,0,0|1,0,0]=3 211 B14R2.7150 OCNc1cccc2c1cncn2 ee2d80e523c2503b6499ca72a8b03213 [0,2,0,0,0,0|2,0,0]=4 212 B14R2.7150 OCNc1cccc2c1nccc2 a22dd1786308d575389c44df6e6ca85b [0,2,0,0,0,0|1,0,0]=3 213 B14R2.7150 OCNc1cccc2c1nccn2 ad3161dd6f5eb04d06ce34ad84821b41 [0,2,0,0,0,0|0,0,0]=2 214 B14R2.7150 OCNc1cccc2c1ncnc2 47917bdac8a97bfb1b04f1ad2f3c0e0d [0,2,0,0,0,0|2,0,0]=4 215 B14R2.7150 OCNc1ccnc2c1nccc2 8ff181118becc1ccc63de0ce54325ab2 [0,2,0,0,0,0|2,0,0]=4 216 B14R2.7150 OCNc1cncc2c1nccc2 a8b0ce85b3a493b138af72c8b6f9d508 [0,2,0,0,0,0|2,0,0]=4 217 B14R2.7150 OCNc1nccc2c1cccn2 0b70fbed9f8222ec08d79ba99c95ad6c [0,2,0,0,0,0|2,0,0]=4 218 B14R2.7150 OCNc1nccc2c1nccc2 9e1cc1ac96c62a703108ad6e6ab44757 [0,2,0,0,0,0|2,0,0]=4 219 B12R2.2 c1c[nH]c(c1)c2cnccn2 f63a5c864aff07f824c78b1cbae8890a [0,0,1,1,0,0|1,0,0]=3 220 B12R2.2 c1c[nH]c(c1)c2cncnn2 930251cad72ebf0472d82354bebfc855 [0,0,1,1,0,0|2,0,0]=4 221 B12R2.2 c1ccc(nc1)c2ccc[nH]2 cb5e87c7aff4050998d5fc84c3f38ca1 [0,0,1,1,0,0|2,0,0]=4 222 B12R2.2 c1ccc(nc1)c2ccco2 3e8cd58e5409a07e09f07e93f6992690 [0,0,1,1,0,0|2,0,0]=4 223 B12R2.2 c1ccc(nc1)c2cccs2 8c84e4b032f42e8dcf4c3e6d708b90b7 [0,0,1,1,0,0|2,0,0]=4 224 B12R2.2 c1ccn(c1)c2cnccn2 01ecbd843e26388070ecdcc6b04968d8 [0,0,1,1,0,0|1,0,1]=4 225 B12R2.2 c1cnc(cn1)c2c[nH]cn2 02e4c3495cefb4e5cf80fc1509a6ab7f [0,0,1,1,0,0|2,0,0]=4 226 B12R2.2 c1cnc(cn1)c2cc[nH]c2 44926ab7d87e2a1434daae7dc76c4808 [0,0,1,1,0,0|1,0,1]=4 227 B12R2.2 c1cnc(cn1)c2ccn[nH]2 21cc1659a4c95d3a0927a7a80922f33e [0,0,1,1,0,0|2,0,0]=4 228 B12R2.2 c1cnc(cn1)c2ccno2 ce8f925c76e52811ee938ac6a1df7cde [0,0,1,1,0,0|2,0,0]=4 229 B12R2.2 c1cnc(cn1)c2ccns2 d40f420b5b9706747111405ef7432a8a [0,0,1,1,0,0|2,0,0]=4 230 B12R2.2 c1cnc(cn1)c2ccoc2 70a5ff04f28d1798b773c6ebdc3b2f83 [0,0,1,1,0,0|1,0,1]=4 231 B12R2.2 c1cnc(cn1)c2ccon2 3cd6b6859afeeff378a0bcc86944cad0 [0,0,1,1,0,0|2,0,0]=4 232 B12R2.2 c1cnc(cn1)c2ccsc2 94298745636c67fc80877059062afe38 [0,0,1,1,0,0|1,0,1]=4 233 B12R2.2 c1cnc(cn1)c2ccsn2 aa3c9d52dda92de15b992345c8f89a53 [0,0,1,1,0,0|2,0,0]=4 234 B12R2.2 c1cnc(cn1)c2cnco2 6f2d20277c4e6b6e6255d75761b79703 [0,0,1,1,0,0|2,0,0]=4 235 B12R2.2 c1cnc(cn1)c2cncs2 422e5029676c2d4caec87450dfb9e0c9 [0,0,1,1,0,0|2,0,0]=4 236 B12R2.2 c1cnc(cn1)c2cocn2 65a9c111b4d650a3e492fda6762368db [0,0,1,1,0,0|2,0,0]=4 237 B12R2.2 c1cnc(cn1)c2cscn2 8e483a7ee87ab5c47efa7bc5a41b7eba [0,0,1,1,0,0|2,0,0]=4 238 B12R2.2 c1cnc(cn1)c2ncc[nH]2 19f99c9c14f7129061857b225e5cfb90 [0,0,1,1,0,0|2,0,0]=4 239 B12R2.2 c1cnc(cn1)c2ncco2 a63159b7f2b5ec5fd3e3592e01cbfbe6 [0,0,1,1,0,0|2,0,0]=4 240 B12R2.2 c1cnc(cn1)c2nccs2 a61bbdc162b0f732c77957a61fe4526d [0,0,1,1,0,0|2,0,0]=4 241 B12R2.2 c1cncc(c1)c2ccc[nH]2 f1c3e69652a9b85e21419c80019a7625 [0,0,1,1,0,0|2,0,0]=4 242 B12R2.2 c1cncc(c1)c2ccco2 fa36aaa20f1537d247a60065bd2ee876 [0,0,1,1,0,0|2,0,0]=4 243 B12R2.2 c1cncc(c1)c2cccs2 330584b542712289d210f7e407d26bf9 [0,0,1,1,0,0|2,0,0]=4 244 B12R2.2 c1coc(c1)c2cnccn2 f58ce8e736550bc4d2dbd703da0e9baf [0,0,1,1,0,0|1,0,0]=3 245 B12R2.2 c1coc(c1)c2cncnn2 4557cf22342578ea624e5684b951f3cb [0,0,1,1,0,0|2,0,0]=4 246 B12R2.2 c1csc(c1)c2cnccn2 9f6ca4d6444da49d7969f43433db9d5a [0,0,1,1,0,0|1,0,0]=3 247 B12R2.2 c1csc(c1)c2cncnn2 dff7f6039c74731ce1bbf751b0770a11 [0,0,1,1,0,0|2,0,0]=4