0 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 BrCCNc1ccccn1 3e3884def368abe14a8394ce1a1093e4 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 BrCCNc1cccnc1 2d13be8c88ebb7269676c6abc03a383d [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 BrCCNc1cccnn1 8bb1d2166673e66012e04a5297d759dc [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 BrCCNc1ccncc1 aa3f433af4f4f2183977f3124b404d50 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 BrCCNc1ccncn1 009ea89d37668eca0fd908b13fadca96 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 C#CCNc1ccccc1 61f0baab40ac49dd5c7bdcf3c0e69fb4 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 C#CCNc1ccccn1 d6e1769cae1c3272157b84417d737e93 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 C#CCNc1cccnc1 eab2f89c8ef7db5012639b0af7544f62 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 C#CCNc1ccncc1 b1c9ee8cf5d9966ad401dfaa8153f485 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 C#CCOc1ccccn1 ed1d9c134ad2cbb060972098b462edbb [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 C#CCOc1cccnc1 a0b168844b4ce712744918a8214c551f [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 C#CCOc1ccncc1 c4e73a58c8af5a2457ec87cf359e9578 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.17 C=CCNc1ccccn1 a09a0780182f6d8fa8752ca3713a2f3e [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 C=CCNc1cccnc1 91b240dd75d71a218918690927e5881a [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 C=CCNc1ccncc1 fc2828cd8f2e538daa95abd157d2f583 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.17 C=CCOc1ccccn1 eb9f74f9d52407e143455993efad096c [0,0,0,0,0,0|3,0,1]=4 18 B10R1.17 C=CCOc1cccnc1 7fb30f1efe498d0d31dd0f3d48945875 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 C=CCOc1ccncc1 c45ea9f8d1069d36df9c7358e1f29e58 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.17 CCCNc1ccccn1 d0e3424364e1c8a55b80e6e83d3696ba [0,0,0,0,0,0|3,0,0]=3 22 B10R1.17 CCCNc1cccnc1 54f0ece250e78709faf1eb2fd4dc869b [0,0,0,0,0,0|3,0,0]=3 23 B10R1.17 CCCNc1cccnn1 563334c6dadea743653cde03719d759b [0,0,0,0,0,0|4,0,0]=4 24 B10R1.17 CCCNc1ccncc1 d6095b2a5c05617a6cec49b81fb053c5 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.17 CCCNc1ccncn1 b9fcfeaf51b4e3f06d605d771d307526 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.17 CCCNc1ccnnc1 2caee9d9c90b98666cbfecfa06fa8cff [0,0,0,0,0,0|4,0,0]=4 27 B10R1.17 CCCNc1cnccn1 21846cbecedbe2640cf1187c9cb12883 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.17 CCCNc1cncnc1 2bb7fb2ced184242938c7fda4c6e1a37 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.17 CCCNc1ncccn1 75419027ddb25105c51dd1506820ccba [0,0,0,0,0,0|4,0,0]=4 30 B10R1.17 CCCOc1ccccn1 6e04423b9fd777130a88eaa9fd38fe0c [0,0,0,0,0,0|3,0,0]=3 31 B10R1.17 CCCOc1cccnc1 a97f517fc793a805aaab3ac7468bbd26 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.17 CCCOc1ccncc1 f349ca52270425380eacc7a2a158cca4 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.17 CCCOc1ccnnc1 3c9c3d60b434f5a1bdb1673f40955496 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.17 CCCOc1cnccn1 63621ef82dd8a608febe84451551c55a [0,0,0,0,0,0|4,0,0]=4 35 B10R1.17 CCCOc1cncnc1 3e9abc9b1ba148ce4f151dd0bc3facae [0,0,0,0,0,0|4,0,0]=4 36 B10R1.17 CCCOc1ncccn1 5c5a6b9b9ac104a48d6c4b0d32992f0c [0,0,0,0,0,0|4,0,0]=4 37 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.17 CCNCc1ccccn1 18cfef8413e038075fdfe85720c8bb60 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.17 CCNCc1cccnc1 ef83bfb13d2744bc293d6f1d68f67b86 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.17 CCNCc1cccnn1 d81bd9bf1bc516576c473bbc4cf064a6 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.17 CCNCc1ccncc1 2e26d8de78e71e06bcd28df387653244 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.17 CCNCc1ccncn1 ae6a093ba5aef71c0ed8d67651e0dd26 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.17 CCNCc1ccnnc1 dc0861acfe2535501016a881a15b8655 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.17 CCNCc1cnccn1 e42a4917d2a6a9dffed5bdafd4c5a5d6 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.17 CCNCc1cncnc1 f9703e58bb488c49affd31e2d844b19f [0,0,0,0,0,0|4,0,0]=4 46 B10R1.17 CCNCc1ncccn1 7e64da8f6dedc74d9803d8b0ac5afe0e [0,0,0,0,0,0|4,0,0]=4 47 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [0,0,0,0,0,0|2,0,0]=2 48 B10R1.17 CCOCc1ccccn1 0c63694580ac3136b3801886d248907b [0,0,0,0,0,0|3,0,0]=3 49 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.17 CCOCc1cccnn1 a18ecdaafc84bd92138525fb2f4ad399 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.17 CCOCc1ccncc1 1d1afe04b02325a5cf955e686c22ba10 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.17 CCOCc1ccncn1 d55d0b80fa8d405bad8866668c0f9fa7 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.17 CCOCc1ccnnc1 eb3f0189714571d275860574016314ed [0,0,0,0,0,0|4,0,0]=4 54 B10R1.17 CCOCc1cnccn1 7fb271123056acc990d03d3767398eec [0,0,0,0,0,0|4,0,0]=4 55 B10R1.17 CCOCc1cncnc1 c69748ab8bdd1b31da65e1fc4248cd6d [0,0,0,0,0,0|4,0,0]=4 56 B10R1.17 CCOCc1ncccn1 ba95357c7224be2db8f523f6aa6f9bb0 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.17 COCNc1ccccn1 a7abef3468bc69aa80ea510854a664da [0,0,0,0,0,0|4,0,0]=4 59 B10R1.17 COCNc1cccnc1 06eb298a8599044156c09f99ea626504 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.17 COCNc1ccncc1 cff9bc6476b5f7fb176472d400021849 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.17 COCOc1ccccn1 20cd252a71a5a01c3e93af63053a4326 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.17 COCOc1cccnc1 d9b37fb8d6b9f459b8606485db596791 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.17 COCOc1ccncc1 18fbb570a0961cb423d27776329da350 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [0,0,0,0,0,0|3,0,0]=3 65 B10R1.17 CSCNc1ccccn1 cc0ec9b3c5cc0b5eddbb2cfb429d6e35 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.17 CSCNc1cccnc1 e9d3d08db46089fcfbd01833b3252a03 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.17 CSCNc1ccncc1 b2728812347dbf5a187f75cde2f2f0f7 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.17 CSCOc1ccccn1 af78560ad465f4d707ca132fa83d0e3a [0,0,0,0,0,0|4,0,0]=4 69 B10R1.17 CSCOc1cccnc1 ba5df6f707d429b8683f03b4c7f7b4a6 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.17 CSCOc1ccncc1 4513be07dbfed35afed2a35144dfb259 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.17 FCCNc1ccccn1 6ab197fb6cbd8dea7ad6d85c80356b58 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.17 FCCNc1cccnc1 948881de1f8cebdb00d3305a89cccf21 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.17 FCCNc1cccnn1 50662e1b5530675bc8d8d1093a0bcb88 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.17 FCCNc1ccncc1 261e26a80d82936049687c2cbf67d868 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.17 FCCNc1ccncn1 28287bfb6cdbc721436daf6264c17c69 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.17 FCCNc1ccnnc1 f72a0e5efc8e040396ed3eb557f12e84 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.17 FCCNc1cnccn1 dd60db3af5d33017b5272adbacfa821e [0,0,0,0,0,0|4,0,0]=4 79 B10R1.17 FCCNc1cncnc1 5544af6c105b140c42d0d584a7ec4dee [0,0,0,0,0,0|4,0,0]=4 80 B10R1.17 FCCNc1ncccn1 b6a3f35367c076e0e2eb0138e0781769 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.17 FCCOc1ccccn1 06b65dfb48082d4779fc37c34dadb476 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.17 FCCOc1cccnc1 7a88b89adbe5c70a007fa3204bf675ab [0,0,0,0,0,0|3,0,0]=3 83 B10R1.17 FCCOc1ccncc1 7674fd5219d4fad9f3b2390ff6ade4b7 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.17 FCCOc1ccnnc1 243e0c54c052e6ff2349f314f0ec297b [0,0,0,0,0,0|4,0,0]=4 85 B10R1.17 FCCOc1cnccn1 a0c148fc7e01278295d3fef98ce5f3d8 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.17 FCCOc1cncnc1 68e30014a141764f0ec796d610eefe90 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.17 FCCOc1ncccn1 20e83a8a3be70e78ea887ddb53a9464b [0,0,0,0,0,0|4,0,0]=4 88 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [0,0,0,0,0,0|2,0,0]=2 89 B10R1.17 FCNCc1ccccn1 14327276004818c05fc55a3ce987673c [0,0,0,0,0,0|3,0,0]=3 90 B10R1.17 FCNCc1cccnc1 303a68c3e72902076a5285aac654492a [0,0,0,0,0,0|3,0,0]=3 91 B10R1.17 FCNCc1cccnn1 bce279edad5329c009e9b508fb1aee5b [0,0,0,0,0,0|4,0,0]=4 92 B10R1.17 FCNCc1ccncc1 f86a74e0d1d92929ce958fb624476f4c [0,0,0,0,0,0|3,0,0]=3 93 B10R1.17 FCNCc1ccncn1 86997bd0980cabeeea4fdf8cfb1980d9 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.17 FCNCc1ccnnc1 d185692542f754d77cea426ab5a1d258 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.17 FCNCc1cnccn1 b6859870939f07ca1816c457c1ced744 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.17 FCNCc1ncccn1 631804a848c2f7581758f33d98025650 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [0,0,0,0,0,0|2,0,0]=2 98 B10R1.17 FCOCc1ccccn1 52de5aacdb8cde16edb0cbea31183c40 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.17 FCOCc1cccnc1 d58467b55ec7fcb175961d4ef6210edb [0,0,0,0,0,0|3,0,0]=3 100 B10R1.17 FCOCc1cccnn1 be211298f0d8017761d0379df43db85c [0,0,0,0,0,0|4,0,0]=4 101 B10R1.17 FCOCc1ccncc1 90104d817a6745d762aa8ebc5bd6efa2 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.17 FCOCc1ccncn1 095b77e062a0a54a0c13c35fafab8dee [0,0,0,0,0,0|4,0,0]=4 103 B10R1.17 FCOCc1ccnnc1 4a1d0d881ff603951714ac4c6a9ce218 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.17 FCOCc1cnccn1 a11466f76fde0f26dadf75b6a45d47be [0,0,0,0,0,0|4,0,0]=4 105 B10R1.17 FCOCc1cncnc1 d848736714f42309e73dcca953822687 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.17 FCOCc1ncccn1 01a146b5b6805692958b2312a16de3b5 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [0,0,0,0,0,0|2,0,0]=2 108 B10R1.17 ICCNc1cccnc1 bd2873fb4e8705ac6b2391510b61aca0 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.17 ICCNc1cccnn1 25a4665350da72721cd932013095093a [0,0,0,0,0,0|4,0,0]=4 110 B10R1.17 N#CCNc1ccccc1 fb8b42e8ff84ada914e54c1d3d6bf55b [0,0,0,0,0,0|2,0,1]=3 111 B10R1.17 N#CCNc1ccccn1 49c7d19f4d4a23e5bd1952f105c61103 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.17 N#CCNc1cccnc1 aef19f28ef5503c740dae1a61fe37e81 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.17 N#CCNc1ccncc1 d14ae359b70ff1be7431f7ed6c2110a2 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.17 N#CCOc1ccccn1 34a3895b8030e0f5731db636d99745cf [0,0,0,0,0,0|3,0,1]=4 115 B10R1.17 N#CCOc1cccnc1 1683bec3c106a0c94f6430f126b41bb0 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.17 N#CCOc1ccncc1 93109e100db6bb2c885530bed1dae33a [0,0,0,0,0,0|3,0,1]=4 117 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [0,0,0,0,0,0|2,0,1]=3 118 B10R1.17 N#CNCc1ccccn1 73d970ffa881cb91d14134c59642f4f6 [0,0,0,0,0,0|3,0,1]=4 119 B10R1.17 N#CNCc1cccnc1 b7cd89e5cd4646b42c64988159c94b48 [0,0,0,0,0,0|3,0,1]=4 120 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [0,0,0,0,0,0|1,0,2]=3 121 B10R1.17 O=CCNc1ccccn1 b00390cf782e1a66064d84fbb4455a3c [0,0,0,0,0,0|2,0,2]=4 122 B10R1.17 O=CCNc1cccnc1 e9d89fc8f59db8f4ca1573408ae38233 [0,0,0,0,0,0|2,0,2]=4 123 B10R1.17 O=CCNc1ccncc1 b936de0afb8269a2a61f35e281fea4e9 [0,0,0,0,0,0|2,0,2]=4 124 B10R1.17 O=CCOc1ccccn1 78f53edacda55ffdc5004f3168d63b47 [0,0,0,0,0,0|2,0,2]=4 125 B10R1.17 O=CCOc1cccnc1 1d2e939a386c96cb8d89a6882c0c8d7c [0,0,0,0,0,0|2,0,2]=4 126 B10R1.17 O=CCOc1ccncc1 1ccec03aa34336841de9232973adaefb [0,0,0,0,0,0|2,0,2]=4 127 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [0,0,0,0,0,0|1,0,2]=3 128 B10R1.17 O=CNCc1ccccn1 2a4bd7c465ac0ab8804867d1eeb7fd18 [0,0,0,0,0,0|2,0,2]=4 129 B10R1.17 O=CNCc1cccnc1 86ebf2990a9293a0c4bc35942f9e4571 [0,0,0,0,0,0|2,0,2]=4 130 B10R1.17 O=CNCc1ccncc1 1f2ebcdeb77286cfab7ddcdf6ac042b2 [0,0,0,0,0,0|2,0,2]=4 131 B10R1.17 OCCCN1CC=CCC1 747e9f039aea28e507227bb73598b67f [0,0,0,0,0,0|1,0,3]=4 132 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [0,0,0,0,0,0|1,0,0]=1 133 B10R1.17 OCCNc1ccccn1 14d1f9671b0391e7cf5b318b74673aa8 [0,0,0,0,0,0|2,0,0]=2 134 B10R1.17 OCCNc1cccnc1 528072d5adbbf320415662e70c05db36 [0,0,0,0,0,0|2,0,0]=2 135 B10R1.17 OCCNc1cccnn1 904669d1e67b66fbedf39e30d8f01302 [0,0,0,0,0,0|3,0,0]=3 136 B10R1.17 OCCNc1ccncc1 2d153fc0224e0960cc8e262d108ccf9f [0,0,0,0,0,0|2,0,0]=2 137 B10R1.17 OCCNc1ccncn1 16630884411af81ebaafd51b9ece01ce [0,0,0,0,0,0|3,0,0]=3 138 B10R1.17 OCCNc1ccnnc1 6c844b991ad1b9c7f6f76a597c7a9487 [0,0,0,0,0,0|3,0,0]=3 139 B10R1.17 OCCNc1cnccn1 b8c8b329bec75a99372dd1b5fe38a887 [0,0,0,0,0,0|3,0,0]=3 140 B10R1.17 OCCNc1cncnc1 41f2b3166167c4b3726a258fdaf09eb3 [0,0,0,0,0,0|3,0,0]=3 141 B10R1.17 OCCNc1cnncn1 e69210d24020efd9e5307d7dab7980f8 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.17 OCCNc1ncccn1 f239abfea1ae338c0c6b2d47a465751c [0,0,0,0,0,0|3,0,0]=3 143 B10R1.17 OCCNc1nccnn1 2fb8cb2b43266f1bf89cf977698b3d69 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.17 OCCNc1ncncn1 73532110eb7cc07e9177e7347545944a [0,0,0,0,0,0|4,0,0]=4 145 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [0,0,0,0,0,0|1,0,0]=1 146 B10R1.17 OCNCc1ccccn1 9488b9a65408dc593594baac432012ff [0,0,0,0,0,0|2,0,0]=2 147 B10R1.17 OCNCc1cccnc1 86bd6343ace558a3752eaa3d1a554844 [0,0,0,0,0,0|2,0,0]=2 148 B10R1.17 OCNCc1cccnn1 ab22a6b6bf709ff19959feb80ebef395 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.17 OCNCc1ccncc1 31d693e5cbaa1006fa13d8924b3493eb [0,0,0,0,0,0|2,0,0]=2 150 B10R1.17 OCNCc1ccncn1 e1601b835614d257d03e1a317c6e849b [0,0,0,0,0,0|3,0,0]=3 151 B10R1.17 OCNCc1ccnnc1 b085a3150d717e399252729324dde4be [0,0,0,0,0,0|3,0,0]=3 152 B10R1.17 OCNCc1cnccn1 2e97e3c7cc39869beec41193ed233122 [0,0,0,0,0,0|3,0,0]=3 153 B10R1.17 OCNCc1cncnc1 c9fd3f017cac60092425968f0623c6bf [0,0,0,0,0,0|3,0,0]=3 154 B10R1.17 OCNCc1ncccn1 c2a1de97786ff8120b7277138f237b3a [0,0,0,0,0,0|3,0,0]=3 155 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [0,0,0,0,0,0|1,1,0]=2 156 B10R1.17 SCCNc1ccccn1 de2447df01f4514b4267a28db291424f [0,0,0,0,0,0|2,1,0]=3 157 B10R1.17 SCCNc1cccnc1 d7661b93dffeb3e5de5eb3930ee71345 [0,0,0,0,0,0|2,1,0]=3 158 B10R1.17 SCCNc1cccnn1 ea4f3403b14ed9358eb50c9965b8278f [0,0,0,0,0,0|3,1,0]=4 159 B10R1.17 SCCNc1ccncc1 577353449c24c89c4540584279fd2c55 [0,0,0,0,0,0|2,1,0]=3 160 B10R1.17 SCCNc1ccncn1 2bfdb9a116c43f44649ab3d9243c2a49 [0,0,0,0,0,0|3,1,0]=4 161 B10R1.17 SCCNc1ccnnc1 4b98d416f498dfa7b33f72b7412f9107 [0,0,0,0,0,0|3,1,0]=4 162 B10R1.17 SCCNc1cnccn1 7a532bee0aa009efe26ced5e1fd07b4c [0,0,0,0,0,0|3,1,0]=4 163 B10R1.17 SCCNc1cncnc1 ed8d75b060e30c05ab7a82cf5f2c11f0 [0,0,0,0,0,0|3,1,0]=4 164 B10R1.17 SCCNc1ncccn1 d101d1cc4fdf91fde35f39137b9892aa [0,0,0,0,0,0|3,1,0]=4 165 B10R1.17 SCCOc1ccccn1 80884e7103538d273738856f1f9d4222 [0,0,0,0,0,0|2,1,0]=3 166 B10R1.17 SCCOc1cccnc1 84b759d60311f3e5695c1f1ffc5005e0 [0,0,0,0,0,0|2,1,0]=3 167 B10R1.17 SCCOc1ccncc1 bcb2c22e459aa7ecd2660e818a75429e [0,0,0,0,0,0|2,1,0]=3 168 B10R1.17 SCCOc1ccnnc1 5673b631a1663bfb350079153c8c7cce [0,0,0,0,0,0|3,1,0]=4 169 B10R1.17 SCCOc1cnccn1 9ed631421fd79ea9b405fc40aac58272 [0,0,0,0,0,0|3,1,0]=4 170 B10R1.17 SCCOc1cncnc1 cd4bab19f2b8cb77cdfafa7e307db447 [0,0,0,0,0,0|3,1,0]=4 171 B10R1.17 SCCOc1ncccn1 9ee0a1056d21851b24aff1da7da6461b [0,0,0,0,0,0|3,1,0]=4 172 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,0,0,0,0,0|1,0,0]=2 173 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [1,0,0,0,0,0|2,0,0]=3 174 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.8 CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.8 CCNc1ccnnc1 84df08ea46526da8091efc8e7dc98bc3 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.8 CCNc1cncnc1 d22064ed1cc1956224a6568ef26d5099 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.8 CCNc1ncccn1 e5f30c193b5ab11515bad37a4470b1a9 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,0,0,0,0,0|2,0,0]=3 184 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.8 CCOc1ccnnc1 495bf99ef1353fb62f88bfe5786129d6 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.8 CCOc1cncnc1 8629022d8ea6564de249e44f3cfd1da9 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.8 CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [1,0,0,0,0,0|3,0,0]=4 189 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [1,0,0,0,0,0|2,0,0]=3 190 B9R1.8 FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.8 FCNc1ccncc1 b2ec03e01efad68d3352b8bfa837899b [1,0,0,0,0,0|3,0,0]=4 193 B9R1.8 FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [1,0,0,0,0,0|3,0,0]=4 194 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.8 FCOc1ccncc1 ac9d070deb144d6d363d1c265a3b25fa [1,0,0,0,0,0|3,0,0]=4 196 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.8 OCNc1cccnn1 d8959988e09873d44f8b640f1fe386e3 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.8 OCNc1ccncc1 25e64b963b18028da179c82ed337c929 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.8 OCNc1ccncn1 5807087c5c4108ffa8c52d7444f962d7 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.8 OCNc1ccnnc1 3894cb787e7b8600c63a04771d062bff [1,0,0,0,0,0|3,0,0]=4 203 B9R1.8 OCNc1cnccn1 a22ea0b3c17d02d754f571b9860bc923 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.8 OCNc1cncnc1 f94e24e43a9b982a2515c894be0cdeee [1,0,0,0,0,0|3,0,0]=4 205 B9R1.8 OCNc1ncccn1 9fc76ad0c84f53b08af40c3faa9bb85c [1,0,0,0,0,0|3,0,0]=4 206 B11R1.1 C#CCNc1ccc(cc1)Br 05bed8b415056736c647e58b7b2f9202 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.1 C#CCNc1ccc(cc1)C 34c9f197f971da874ae7626a0b74173e [0,1,0,0,0,0|2,0,1]=4 208 B11R1.1 C#CCNc1ccc(cc1)Cl c0d447e42332fe7792c40cc6848a76c2 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.1 C#CCNc1ccc(cc1)F 41e3db4964670c905a488dbe2d238ff1 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.1 C#CCNc1ccc(cc1)I 0ca24471589bd50d7bf0a837994f4d5f [0,1,0,0,0,0|2,0,1]=4 211 B11R1.1 C#CCNc1ccc(cc1)S bf9c2d2a34562279d7f7314fd803f98c [0,1,0,0,0,0|2,0,1]=4 212 B11R1.1 C#CCOc1ccc(cc1)Br 4060fdb277e13444e48fd8ffc2e01d06 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.1 C#CCOc1ccc(cc1)C 896547e9686664dd8ea557b7ec0e9941 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.1 C#CCOc1ccc(cc1)Cl 4412f9679d6b6c5bb1c7afaf4d63837c [0,1,0,0,0,0|2,0,1]=4 215 B11R1.1 C#CCOc1ccc(cc1)F f5ee94ae0ebda38907ff4450ba45b6e7 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.1 C#CCOc1ccc(cc1)I 4d37462fd18b6cf07845e2db48718c8b [0,1,0,0,0,0|2,0,1]=4 217 B11R1.1 C#CCOc1ccc(cc1)S 0f5e88c4a670425d2c1de69cb9a0702c [0,1,0,0,0,0|2,0,1]=4 218 B11R1.1 C=CCNc1ccc(cc1)Br 8b2a9bff3ffe25a417572a2ff271e5fc [0,1,0,0,0,0|2,0,1]=4 219 B11R1.1 C=CCNc1ccc(cc1)C 62056623a0561a4540c8c52e6e31e32f [0,1,0,0,0,0|2,0,1]=4 220 B11R1.1 C=CCNc1ccc(cc1)Cl 0abc2df2ac22be65b98841965971ccfd [0,1,0,0,0,0|2,0,1]=4 221 B11R1.1 C=CCNc1ccc(cc1)F fefad214b2afc5e82912832cf062e6a3 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.1 C=CCNc1ccc(cc1)I 10233b6ee7006f40e50da9f11b95a16b [0,1,0,0,0,0|2,0,1]=4 223 B11R1.1 C=CCNc1ccc(cc1)S 719398e8412f8b050af1b35db7f6d7b4 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.1 C=CCOc1ccc(cc1)Br 4caddf4c4fa821b8a23c3e22b37a63a5 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.1 C=CCOc1ccc(cc1)C cef0428792cf4168ad9fd81785326672 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.1 C=CCOc1ccc(cc1)Cl d433b2e6e63cf4589dfcd18b4828cc35 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.1 C=CCOc1ccc(cc1)F 623e09165a78fc8bfadfaf0dca3fcb71 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.1 C=CCOc1ccc(cc1)I 92187a6fbc41b07a7b0a3b019b772fa1 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.1 C=CCOc1ccc(cc1)S 6f29ee42ebfe44e544a0b50ff22fc196 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.1 CCCNc1ccc(=O)[nH]c1 788491b37865b7508a806e3465be9c1e [0,1,0,0,0,0|3,0,0]=4 231 B11R1.1 CCCNc1ccc(cc1)Br 95e3de2d252597fde5ce9a477304d00e [0,1,0,0,0,0|2,0,0]=3 232 B11R1.1 CCCNc1ccc(cc1)C 60206ed79d50ce0b51d2c9baa6a9bfd8 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.1 CCCNc1ccc(cc1)Cl 78619a742ccf6ba08a4394e2ee033c54 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.1 CCCNc1ccc(cc1)F 03593481ab116133e85310d463cb3940 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.1 CCCNc1ccc(cc1)I 1d619469e460bbb1d49ca10b65682c62 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.1 CCCNc1ccc(cc1)S 5de90476a8c0464c76157dc952d2c04c [0,1,0,0,0,0|2,0,0]=3 237 B11R1.1 CCCNc1ccc(cn1)Br 21ad52c0b7cad2f16279c41b12c3dd20 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.1 CCCNc1ccc(cn1)C 49b1b111cca17d95ac5b969044ae90fe [0,1,0,0,0,0|3,0,0]=4 239 B11R1.1 CCCNc1ccc(cn1)Cl a95c01f05e53613156fba3b0f8d7f780 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.1 CCCNc1ccc(cn1)F bd191ccc5254163826bb8b5b65ee6ba9 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.1 CCCNc1ccc(cn1)I 3117f77f4a2d396d13ad23c0ed5be14e [0,1,0,0,0,0|3,0,0]=4 242 B11R1.1 CCCNc1ccc(nc1)Br c94a8cb0ce30ba24f74624f4b9b038a4 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.1 CCCNc1ccc(nc1)C 7d88a307944adac731bde6f988e446cd [0,1,0,0,0,0|3,0,0]=4 244 B11R1.1 CCCNc1ccc(nc1)Cl b1c722121661a42e5d6842a9b28519ac [0,1,0,0,0,0|3,0,0]=4 245 B11R1.1 CCCNc1ccc(nc1)F 85865fae01c522e244e3ef69d8b38878 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.1 CCCNc1ccc(nc1)I b4159aeffce60ad6131e4364b9368e94 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.1 CCCOc1ccc(cc1)Br fcee74d69e8e023a5434abc8b0385424 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.1 CCCOc1ccc(cc1)C 4fdcf2ff939bb0420513a197f77843e9 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.1 CCCOc1ccc(cc1)Cl 6ca291266ab2c05a274ea67a7fbcb647 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.1 CCCOc1ccc(cc1)F 18444060e70b801a4550e15d090495f3 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.1 CCCOc1ccc(cc1)I 1cc2cc68a2ed4244fd1e94b3d6df9d5e [0,1,0,0,0,0|2,0,0]=3 252 B11R1.1 CCCOc1ccc(cc1)S 5c2ad8fc9e5698065bd7177da22c3e46 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.1 CCCOc1ccc(cn1)C a2aa3425c184ebbd01762c44679803c0 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.1 CCCOc1ccc(cn1)Cl 0c1b7fe9f246d104ebcbc468a16004c1 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.1 CCCOc1ccc(cn1)F 6a93fffcdab2ace921c013c1d2a630f1 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.1 CCCOc1ccc(cn1)I ca1682e59f74f1735f8a64800a62750a [0,1,0,0,0,0|3,0,0]=4 257 B11R1.1 CCCOc1ccc(nc1)Br c0aef75a4817cab606425a2121c50d36 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.1 CCCOc1ccc(nc1)C e7dbc804100b6abbbe2b0f45f45546ba [0,1,0,0,0,0|3,0,0]=4 259 B11R1.1 CCCOc1ccc(nc1)Cl 18ab5a610d56358eac2068ee56cbca89 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.1 CCCOc1ccc(nc1)F d5473478a7dbdb85a03b2038e1b4207d [0,1,0,0,0,0|3,0,0]=4 261 B11R1.1 CCCOc1ccc(nc1)I 8a80b63748b30da8afc9dd9cedc24183 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.1 CCNCc1ccc(=O)[nH]c1 1254ebee348ff16c368fd1d2a91b5fef [0,1,0,0,0,0|3,0,0]=4 263 B11R1.1 CCNCc1ccc(cc1)Br 2cd51938999c20d02733c25a0b5c4804 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.1 CCNCc1ccc(cc1)C 587aa1ee1f45a7f7f3762adcf6ab1e89 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.1 CCNCc1ccc(cc1)Cl 521dc09ab663236062b599824b274153 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.1 CCNCc1ccc(cc1)F 507a49f5c428a46a95718b00a3fd1bd9 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.1 CCNCc1ccc(cc1)I cb00fc5924e1405950f010ec806d6a94 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.1 CCNCc1ccc(cn1)Br 882a30c5c31be62d8df2ad05ade9700e [0,1,0,0,0,0|3,0,0]=4 269 B11R1.1 CCNCc1ccc(cn1)C ce28a7edd6e5cb339d15632619449df9 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.1 CCNCc1ccc(cn1)Cl a8b3098af6f06b71ef76b0a789adb905 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.1 CCNCc1ccc(cn1)F 8ce16a3c3b9cfcc722411ae28895539b [0,1,0,0,0,0|3,0,0]=4 272 B11R1.1 CCNCc1ccc(nc1)Br 459eae4b7edb145b4c74858ed5083f2a [0,1,0,0,0,0|3,0,0]=4 273 B11R1.1 CCNCc1ccc(nc1)C be9f6396d87f569ee4a97d2c73536694 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.1 CCNCc1ccc(nc1)Cl e61d7305db5ae395b6483f66380e1fe0 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.1 CCNCc1ccc(nc1)F bfcb52b611bb6fe9e54b00a336ddce06 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.1 CCOCc1cc[n+](cc1)[O-] c821ee3885c58d89975b7f31b845487a [0,1,0,0,0,0|3,0,0]=4 277 B11R1.1 CCOCc1ccc(cc1)Br 55e365425e5287f17bedcdf9c6cf8797 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.1 CCOCc1ccc(cc1)C 4d215a4a9529a309b910ed7006942890 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.1 CCOCc1ccc(cc1)Cl 162fb8a5396843344a75f2243153a2a9 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.1 CCOCc1ccc(cc1)F 67e386059816bee45125127b16cfcbee [0,1,0,0,0,0|2,0,0]=3 281 B11R1.1 CCOCc1ccc(cc1)I 25d977d51d9f47d9f153070d57dca8b8 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.1 CCOCc1ccc(cc1)S 51de74da01a41ad35713330690173be6 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.1 CCOCc1ccc(cn1)Br 7fa2d6660ca0fac0c5d496c90646d302 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.1 CCOCc1ccc(cn1)C d87497b35c5f44e142aec59de5813e88 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.1 CCOCc1ccc(cn1)Cl 6991b553b81a946d1923a2d827bfdbc3 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.1 CCOCc1ccc(cn1)F c13b565598015e639c197d30e6fbe232 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.1 CCOCc1ccc(cn1)I 401d1ae041509fd6bf393ad89597efa1 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.1 CCOCc1ccc(nc1)Br 16508d9e74e22116b4378afff1fa9aa5 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.1 CCOCc1ccc(nc1)C a880cc0302e1c9d4e4d89c1a296d8d06 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.1 CCOCc1ccc(nc1)Cl 78e1cd2f782133a4dfac861a528ccf0c [0,1,0,0,0,0|3,0,0]=4 291 B11R1.1 CCOCc1ccc(nc1)F 965c536d19c11eee65b05ccac1580358 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.1 COCNc1ccc(cc1)Br 239c0132d7f14bf3bf07ff69790489a4 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.1 COCNc1ccc(cc1)C e4f246b36607f9f18bc5aa859e62100a [0,1,0,0,0,0|3,0,0]=4 294 B11R1.1 COCNc1ccc(cc1)Cl 9367c645aa9d92ecdc3a5eedabcc13c5 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.1 COCNc1ccc(cc1)F f296a10dbbbc66104f13afdffc18051f [0,1,0,0,0,0|3,0,0]=4 296 B11R1.1 COCNc1ccc(cc1)I 021e3c73bb722af1abf9e932759670c7 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.1 COCNc1ccc(cc1)S b5677477be0bd1f2c09ba9bfaae89e50 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.1 COCOc1ccc(cc1)Br 4c7a6b8e747219dccfee467c9fcd68b9 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.1 COCOc1ccc(cc1)C 6de4302c41d46032c578a0645b570acc [0,1,0,0,0,0|3,0,0]=4 300 B11R1.1 COCOc1ccc(cc1)Cl fdd4da30c0d821dac2a0c1ce91307d0f [0,1,0,0,0,0|3,0,0]=4 301 B11R1.1 COCOc1ccc(cc1)F d726aa507ee8c13d395daa40b41c2957 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.1 COCOc1ccc(cc1)I df653f5f1ee1638a0aae84a7d8d68f8d [0,1,0,0,0,0|3,0,0]=4 303 B11R1.1 COCOc1ccc(cc1)S eb0b44c1e1c77f48cae0fd09b89123bf [0,1,0,0,0,0|3,0,0]=4 304 B11R1.1 CSCNc1ccc(cc1)Br 7d08b9f3e3f2fe34f6d8e854d51e1202 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.1 CSCNc1ccc(cc1)C 7cc547f88ae9a9501b6ce615095d8aea [0,1,0,0,0,0|3,0,0]=4 306 B11R1.1 CSCNc1ccc(cc1)Cl bf742730b893efd050ccc2ddd2ce37af [0,1,0,0,0,0|3,0,0]=4 307 B11R1.1 CSCNc1ccc(cc1)F 475459e06b9cf82ddf55d707b377d320 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.1 CSCNc1ccc(cc1)I 8b3c0b54c1e3dd9102ae085ef652923c [0,1,0,0,0,0|3,0,0]=4 309 B11R1.1 CSCNc1ccc(cc1)S b2c1b0484112c3320d0a0a482bf3fabe [0,1,0,0,0,0|3,0,0]=4 310 B11R1.1 CSCOc1ccc(cc1)Br f5a0542c9ba04fa96a3d6a460de6215d [0,1,0,0,0,0|3,0,0]=4 311 B11R1.1 CSCOc1ccc(cc1)C 35277f269b6e4bad5ee1cc6923a583fd [0,1,0,0,0,0|3,0,0]=4 312 B11R1.1 CSCOc1ccc(cc1)Cl 818101ab26ff3d96beedc8f3f9d2fff2 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.1 CSCOc1ccc(cc1)F aa65f6b5260241febe6e598cb66d47bd [0,1,0,0,0,0|3,0,0]=4 314 B11R1.1 CSCOc1ccc(cc1)I 0cc9619b354e201460eaff3ce7c4b6e3 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.1 CSCOc1ccc(cc1)S 5eb766d81a2c5ac1d793ebde9bbc88c4 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.1 Cc1ccc(cc1)CNC#N 71ef650b7559551102b125c1e29d68e5 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.1 Cc1ccc(cc1)CNC=O f28e952319097b22b95735c4699de02f [0,1,0,0,0,0|1,0,2]=4 318 B11R1.1 Cc1ccc(cc1)CNCF 3d235376bf58ba37ce4fc4687e7358b9 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.1 Cc1ccc(cc1)CNCO a64a75f18e5667093ebf917d1b07eefc [0,1,0,0,0,0|1,0,0]=2 320 B11R1.1 Cc1ccc(cc1)COCF be23a3cdf78a8f91f485a087d32e2751 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.1 Cc1ccc(cc1)NCC#N 136b2c6b9bc1df5a3223827f88881879 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.1 Cc1ccc(cc1)NCC=O 4fda9751a355cee6e87b68007294a6d1 [0,1,0,0,0,0|1,0,2]=4 323 B11R1.1 Cc1ccc(cc1)NCCF 386681a63315a2a02458b9e317339172 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.1 Cc1ccc(cc1)NCCI 021b0820ca00ee1bd1c722072e28fcea [0,1,0,0,0,0|2,0,0]=3 325 B11R1.1 Cc1ccc(cc1)NCCO c023022501f62f6373bdd984b07a8e61 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.1 Cc1ccc(cc1)NCCS 6ed2fe969f35f3c0b0884c2a5f799763 [0,1,0,0,0,0|1,1,0]=3 327 B11R1.1 Cc1ccc(cc1)OCC#N 86188396c995adc062c1161e026ae446 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.1 Cc1ccc(cc1)OCC=O 162ce958ced72925305b1c018b7b9598 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.1 Cc1ccc(cc1)OCCF e658fde0065759000a395a993eb3f831 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.1 Cc1ccc(cc1)OCCS 11a5d5c742743cac8e072d93bc1a4fc6 [0,1,0,0,0,0|1,1,0]=3 331 B11R1.1 Cc1ccc(cn1)CNCF 0cc4818483a961efd54405e647f545e7 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.1 Cc1ccc(cn1)CNCO dee3af3568e11618521f283cbcaf609a [0,1,0,0,0,0|2,0,0]=3 333 B11R1.1 Cc1ccc(cn1)COCF 7dec6859a8025db27e45799679442682 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.1 Cc1ccc(cn1)NCCF d933f2987cbd1fe8ebbdfedf33d2ede8 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.1 Cc1ccc(cn1)NCCO 30ed0c915c1452fa052e397b7ae40d59 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.1 Cc1ccc(cn1)NCCS 60b5c1d54cffd775ae68d73adff96d6b [0,1,0,0,0,0|2,1,0]=4 337 B11R1.1 Cc1ccc(cn1)OCCF a21a4600e8af39c88fa1dd482f6c3650 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.1 Cc1ccc(cn1)OCCS cf9c5b5f5919efb5749d90e100211d1a [0,1,0,0,0,0|2,1,0]=4 339 B11R1.1 Cc1ccc(nc1)CNCF a2ae316dbd0bb13a861c9dac3c80cf57 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.1 Cc1ccc(nc1)CNCO 8b5ed39717274fd8ed92909f510b435c [0,1,0,0,0,0|2,0,0]=3 341 B11R1.1 Cc1ccc(nc1)COCF 8c39601fc22b07f8712ea33f68ec1dbf [0,1,0,0,0,0|3,0,0]=4 342 B11R1.1 Cc1ccc(nc1)NCCF 06c1e16ffeb1ab85a569cd0e334ae6b2 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.1 Cc1ccc(nc1)NCCO 89539a4a1231df63bf072dde77e69a2d [0,1,0,0,0,0|2,0,0]=3 344 B11R1.1 Cc1ccc(nc1)NCCS 69a8c11eca8289a9654e21b03bcd9530 [0,1,0,0,0,0|2,1,0]=4 345 B11R1.1 Cc1ccc(nc1)OCCF 07dcb840a80fa7cbdd901daf4d527f50 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.1 Cc1ccc(nc1)OCCS c0e97758fad975d9872b78bd47384ac8 [0,1,0,0,0,0|2,1,0]=4 347 B11R1.1 Cc1ccc(nn1)CNCO 6aefed86d4af663a5b3b19757a20f0eb [0,1,0,0,0,0|3,0,0]=4 348 B11R1.1 Cc1ccc(nn1)NCCO 67b364332084b59774d7b32eaaeba4b1 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.1 Cc1cnc(cn1)NCCO 35684728c0cb15cce6eb02578594fc19 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.1 Cc1cnc(nc1)CNCO eab3b14b0a2e3e3afa37b724a748ac51 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.1 Cc1cnc(nc1)NCCO f2adae939785ddd7e710ec804c080a79 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.1 Cc1ncc(cn1)CNCO 8fc4d9eea8092a5e7ea616f1ec855276 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.1 Cc1ncc(cn1)NCCO caffeaf42f2316cd55987b80efa9e271 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.1 FCCNc1ccc(cc1)Br 795a720a4c9b19afbc5301fa123947f2 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.1 FCCNc1ccc(cc1)Cl e3d2a59ab56b1cb94b6555756f53e4df [0,1,0,0,0,0|2,0,0]=3 356 B11R1.1 FCCNc1ccc(cc1)F 7c335ec10923f1e5e1c0a802d22815aa [0,1,0,0,0,0|2,0,0]=3 357 B11R1.1 FCCNc1ccc(cc1)I 7a3114f1b82f1ae9c3e9d91f867c2aec [0,1,0,0,0,0|2,0,0]=3 358 B11R1.1 FCCNc1ccc(cc1)S 4cf1191b5d4fa0438db5fb212abc0568 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.1 FCCNc1ccc(cn1)Br 3f032646448fe390c3e2eb7c9f0340fb [0,1,0,0,0,0|3,0,0]=4 360 B11R1.1 FCCNc1ccc(cn1)Cl 099b0366560a094d477ba72f02802098 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.1 FCCNc1ccc(cn1)F d18108661df3b156b54b5b0e241a96f7 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.1 FCCNc1ccc(cn1)I 83a422430eb181b6cd15fdc584932f83 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.1 FCCNc1ccc(nc1)Br fd0a4c8b2713d1c49264b576c1decae1 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.1 FCCNc1ccc(nc1)Cl b9085d1523d00127662dfb538d69ffc0 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.1 FCCNc1ccc(nc1)F c08ecedf7a63659972d110cbbb2cf5ab [0,1,0,0,0,0|3,0,0]=4 366 B11R1.1 FCCNc1ccc(nc1)I 4c80e5b4db17c235fa4c445fccae033f [0,1,0,0,0,0|3,0,0]=4 367 B11R1.1 FCCOc1ccc(cc1)Br 44af21b9bd08ebef7a3593bbf1c00f13 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.1 FCCOc1ccc(cc1)Cl f8953730f3c70ba1c351ddf061f5adb9 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.1 FCCOc1ccc(cc1)F b8491737d875b8a9ba1853dfb7c71826 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.1 FCCOc1ccc(cc1)I b3c3da697e2c7b319e1842d4b6e652a6 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.1 FCCOc1ccc(cc1)S c0287c49d3bee2c771e7d9f8b8b1a91d [0,1,0,0,0,0|2,0,0]=3 372 B11R1.1 FCCOc1ccc(cn1)Cl b3e4a78af085b1d8a0cc04fa3d2b9697 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.1 FCCOc1ccc(cn1)F 09a0361ca931a8815d595adcfa70dfc5 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.1 FCCOc1ccc(cn1)I c881f50d40edf1b68b0c0f26e5461697 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.1 FCCOc1ccc(nc1)Br 56a5cf89dd80e496b9709f39abb581e1 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.1 FCCOc1ccc(nc1)Cl 2518d683071f95d362f0f1c64caaf5ff [0,1,0,0,0,0|3,0,0]=4 377 B11R1.1 FCCOc1ccc(nc1)F 21e0e21376995b11c2ee866f488aa641 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.1 FCCOc1ccc(nc1)I 0ec81edc553fa753848e33209a20be60 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.1 FCNCc1ccc(cc1)Br b716c1dcd41bf6fd6d535897c1b8ce0c [0,1,0,0,0,0|2,0,0]=3 380 B11R1.1 FCNCc1ccc(cc1)Cl 699409f205c611587d6f375bf5f31fce [0,1,0,0,0,0|2,0,0]=3 381 B11R1.1 FCNCc1ccc(cc1)F 25a744931aeb914e659c9f9632eb93fc [0,1,0,0,0,0|2,0,0]=3 382 B11R1.1 FCNCc1ccc(cc1)I d9e1151471912873877eda8a2b6050e5 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.1 FCNCc1ccc(cn1)Br 94657af0bd8c4405cbbc4eaa4ffee2a0 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.1 FCNCc1ccc(cn1)Cl cce15c536bf4a9ea70c6d5eecfbcc8f5 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.1 FCNCc1ccc(cn1)F 2fbb419c0ebed0c99c9e4221c90b61d5 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.1 FCNCc1ccc(nc1)Br ed6eace0f3dc8fd461c4aa25a63c270a [0,1,0,0,0,0|3,0,0]=4 387 B11R1.1 FCNCc1ccc(nc1)Cl f60e537412c24a1635da443ea1ef05b7 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.1 FCNCc1ccc(nc1)F 360826827173d8cbef185c96d6bf9a02 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.1 FCOCc1ccc(cc1)Br 5272f40abeb8f9788218e0855efe7f99 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.1 FCOCc1ccc(cc1)Cl a424b465d05ec98f468ea1690dfb41e3 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.1 FCOCc1ccc(cc1)F 40afdc034cb36d38932d0008a2d4420f [0,1,0,0,0,0|2,0,0]=3 392 B11R1.1 FCOCc1ccc(cc1)I 614cbd3d7d1898e18b49cf57a3be3c96 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.1 FCOCc1ccc(cc1)S caeca7060fe6aa9edb0562b9e232c2bd [0,1,0,0,0,0|2,0,0]=3 394 B11R1.1 FCOCc1ccc(cn1)Br 2cff720254f33336759fb5ca9479388f [0,1,0,0,0,0|3,0,0]=4 395 B11R1.1 FCOCc1ccc(cn1)Cl 580c540efe3c49a7a19e2d9b432e11d5 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.1 FCOCc1ccc(cn1)F 1bb531fece1ae15a51af6ee1772e0067 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.1 FCOCc1ccc(cn1)I c87ccc15c68a7dc6b58ab9811a041353 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.1 FCOCc1ccc(nc1)Br 6078f1c512fbe250dd7779314fff9f35 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.1 FCOCc1ccc(nc1)Cl aa5bc3962095b93b2abaeba35c88a61a [0,1,0,0,0,0|3,0,0]=4 400 B11R1.1 FCOCc1ccc(nc1)F bff5cb2e5b28cc9e674135a1add7b47d [0,1,0,0,0,0|3,0,0]=4 401 B11R1.1 Fc1ccc(cc1)NCCS 96eb09cf1d4b57152e2f391fd4e4c79f [0,1,0,0,0,0|1,1,0]=3 402 B11R1.1 Fc1ccc(cc1)OCCS c98699e8299c427f19ef74ef43ecdb98 [0,1,0,0,0,0|1,1,0]=3 403 B11R1.1 Fc1ccc(cn1)NCCBr ca2f6233c5f284c3268efa08c93625b9 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.1 Fc1ccc(cn1)NCCS 3d8ef9344fce732034cedf42e1afaffc [0,1,0,0,0,0|2,1,0]=4 405 B11R1.1 Fc1ccc(cn1)OCCS bc7f1b508fec42551a57a9fde5eb5934 [0,1,0,0,0,0|2,1,0]=4 406 B11R1.1 Fc1ccc(nc1)NCCS eadd69409288b61ab12eacb9e50162ce [0,1,0,0,0,0|2,1,0]=4 407 B11R1.1 Fc1ccc(nc1)OCCS 3e877b70e347acb690df074056e728c6 [0,1,0,0,0,0|2,1,0]=4 408 B11R1.1 N#CCNc1ccc(cc1)Br b186aa23ff1df063ca5f8ad1421ecf46 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.1 N#CCNc1ccc(cc1)Cl 653168c81073969062d8b2f17ccc8652 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.1 N#CCNc1ccc(cc1)F cb4dae95e3d3051c4a5f6253ca80a7e9 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.1 N#CCNc1ccc(cc1)I 27a289db796165d1e6f70f28f898e7b3 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.1 N#CCNc1ccc(cc1)S e169fab1d9fae0a8626bd29bae3c20f2 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.1 N#CCOc1ccc(cc1)Br 871254db56e2004e5847895d62a14d29 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.1 N#CCOc1ccc(cc1)Cl 8778ae1e60991761c1a89b37bdae4929 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.1 N#CCOc1ccc(cc1)F ecca40fe5c4bd91fe61102849dbbcff2 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.1 N#CCOc1ccc(cc1)I f0ce4f5c32a6a21ca0e603fc0719ce66 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.1 N#CCOc1ccc(cc1)S f723defc19cd9ff58e26aa13ad60ba6a [0,1,0,0,0,0|2,0,1]=4 418 B11R1.1 N#CNCc1ccc(cc1)Br 993e0e7882cdada4212fab51ab99fd4a [0,1,0,0,0,0|2,0,1]=4 419 B11R1.1 N#CNCc1ccc(cc1)Cl 861b33c898d9d0c01d6886a209a9f6fd [0,1,0,0,0,0|2,0,1]=4 420 B11R1.1 N#CNCc1ccc(cc1)F 35391210e85115eb408aff1e93261827 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.1 N#CNCc1ccc(cc1)I df16ce3684587d85b581fd53fe8f98ff [0,1,0,0,0,0|2,0,1]=4 422 B11R1.1 O=CCNc1ccc(cc1)Br 067d274438faf6d9fcab66fd29258ceb [0,1,0,0,0,0|1,0,2]=4 423 B11R1.1 O=CCNc1ccc(cc1)Cl 41b414055a7467fa4ebaefd379ab1983 [0,1,0,0,0,0|1,0,2]=4 424 B11R1.1 O=CCNc1ccc(cc1)F 9418682bb19d7c85499b950cc4c78703 [0,1,0,0,0,0|1,0,2]=4 425 B11R1.1 O=CCNc1ccc(cc1)I 462a43a2f94fdd33735b683d048a6cd2 [0,1,0,0,0,0|1,0,2]=4 426 B11R1.1 O=CCNc1ccc(cc1)S 41cbf28e78476350d293660db103d06a [0,1,0,0,0,0|1,0,2]=4 427 B11R1.1 O=CCOc1ccc(cc1)Br def7cf0118e06efe61ec327fa54d11e7 [0,1,0,0,0,0|1,0,2]=4 428 B11R1.1 O=CCOc1ccc(cc1)Cl bcb6224d95a5b97cffcadb5c4c5a4052 [0,1,0,0,0,0|1,0,2]=4 429 B11R1.1 O=CCOc1ccc(cc1)F a06e8c0a346f32fa4e5da7005cc6fb47 [0,1,0,0,0,0|1,0,2]=4 430 B11R1.1 O=CCOc1ccc(cc1)I 09bd69e9ed964a5fd067081d62efe043 [0,1,0,0,0,0|1,0,2]=4 431 B11R1.1 O=CCOc1ccc(cc1)S 51195d57e8dd52ea3f1d1dcd968cb246 [0,1,0,0,0,0|1,0,2]=4 432 B11R1.1 O=CNCc1ccc(cc1)Br 7fdb86c6f5b6081ac41b52a92cf2f5e3 [0,1,0,0,0,0|1,0,2]=4 433 B11R1.1 O=CNCc1ccc(cc1)Cl 8ffb7078771c32a3c5bc07dbadbb86a6 [0,1,0,0,0,0|1,0,2]=4 434 B11R1.1 O=CNCc1ccc(cc1)F 3e4ad2d82aa5aa82d165556940f63f30 [0,1,0,0,0,0|1,0,2]=4 435 B11R1.1 O=CNCc1ccc(cc1)I d9e15a2b5847e4b3042d0429177d8bdb [0,1,0,0,0,0|1,0,2]=4 436 B11R1.1 O=CNCc1ccc(cc1)O b53af60aaa3757bc79f5fc548fffc7cb [0,1,0,0,0,0|1,0,2]=4 437 B11R1.1 O=c1ccc(c[nH]1)CNCF 81573997f05b604cb580bebded221a40 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.1 O=c1ccc(c[nH]1)CNCO bb83acf187d7f19d584f105f6810294f [0,1,0,0,0,0|2,0,0]=3 439 B11R1.1 O=c1ccc(c[nH]1)NCCF 13d733c4340b5fcf5d893368e9689af6 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.1 O=c1ccc(c[nH]1)NCCO 410d745dee12fa60b560903e314fdf23 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.1 O=c1ccc(c[nH]1)NCCS 4e8aa267317d950756513167f0b0c73d [0,1,0,0,0,0|2,1,0]=4 442 B11R1.1 O=c1ncc(c[nH]1)NCCO 7533b5dc60d0d3b141258d9c81b5dba3 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.1 OCCNc1c[nH]c(=S)cn1 e449a534de83012a2789ca740ab51296 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.1 OCCNc1ccc(cc1)Br 535465584ac9d4ff57889448ec1b0af0 [0,1,0,0,0,0|1,0,0]=2 445 B11R1.1 OCCNc1ccc(cc1)Cl 4d55580a2576d97655667590feb9394c [0,1,0,0,0,0|1,0,0]=2 446 B11R1.1 OCCNc1ccc(cc1)F f0dccf24099a23c54c8c24ea89525ac0 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.1 OCCNc1ccc(cc1)I 9010f3f5111bb57e7ee5fcc7037cafde [0,1,0,0,0,0|1,0,0]=2 448 B11R1.1 OCCNc1ccc(cc1)S 4de960e6b8963c27bc320732a003972b [0,1,0,0,0,0|1,0,0]=2 449 B11R1.1 OCCNc1ccc(cn1)Br 697c3de2afaae9bbb982c9a6366dab99 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.1 OCCNc1ccc(cn1)Cl bece4a641c5ba21cb6f601a8cec5b6e4 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.1 OCCNc1ccc(cn1)F 9ca695181e9e504e36cd02cea32905b6 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.1 OCCNc1ccc(cn1)I d44ab634a65882279d333c5c872969b4 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.1 OCCNc1ccc(nc1)Br 74240f00e06bbc9166f70ac3706f1bc0 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.1 OCCNc1ccc(nc1)Cl a52b48650756b8abe6a408b1a544273d [0,1,0,0,0,0|2,0,0]=3 455 B11R1.1 OCCNc1ccc(nc1)F 119781327aeb530935e1633b31598aa6 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.1 OCCNc1ccc(nc1)I 35eb69a431b7bdc38ff4ec6a1cca945c [0,1,0,0,0,0|2,0,0]=3 457 B11R1.1 OCCNc1ccc(nn1)Br 6fa9e481e4b06c0d417b9c30311b9420 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.1 OCCNc1ccc(nn1)Cl a6f497e2697d7869591ae75ef7d5d95e [0,1,0,0,0,0|3,0,0]=4 459 B11R1.1 OCCNc1ccc(nn1)F 1568b6d6d7c8e9f2e22dd07c9711a050 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.1 OCCNc1ccc(nn1)I 21bc4a5f0dc70dbc96d69eecaec063a9 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.1 OCCNc1cnc(cn1)Br 20fe9251d0c738c5527f8b56b1f1ba7c [0,1,0,0,0,0|3,0,0]=4 462 B11R1.1 OCCNc1cnc(cn1)Cl 0ea215975f7f6db418166cc2cff98f1f [0,1,0,0,0,0|3,0,0]=4 463 B11R1.1 OCCNc1cnc(cn1)I 3c706fd531edea1583e0b154201ed19f [0,1,0,0,0,0|3,0,0]=4 464 B11R1.1 OCCNc1cnc(nc1)Br f2c9d5b927ff3e0166b99dd6ce99bad5 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.1 OCCNc1cnc(nc1)Cl e1d74142df768b993e9167b16793538e [0,1,0,0,0,0|3,0,0]=4 466 B11R1.1 OCCNc1cnc(nc1)I 3e46fbfdfce7eead28cea55973d6c5cf [0,1,0,0,0,0|3,0,0]=4 467 B11R1.1 OCCNc1ncc(cn1)Br 2e38cc56e91c5f1c8f2d91d327e1e261 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.1 OCCNc1ncc(cn1)Cl dc1ff640d4cf45b48f30ad08577a5866 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.1 OCCNc1ncc(cn1)F 79c5a4afede08395f731b692609be08b [0,1,0,0,0,0|3,0,0]=4 470 B11R1.1 OCCNc1ncc(cn1)I dc181da59d6ce53a4709975e62b8d166 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.1 OCNCc1ccc(cc1)Br 29941d371c032fabf1b94e49679e2b91 [0,1,0,0,0,0|1,0,0]=2 472 B11R1.1 OCNCc1ccc(cc1)Cl 66d7e1612c59e389035460da5f165c29 [0,1,0,0,0,0|1,0,0]=2 473 B11R1.1 OCNCc1ccc(cc1)F e82a245e5fea20cb06713ef60eb282ff [0,1,0,0,0,0|1,0,0]=2 474 B11R1.1 OCNCc1ccc(cc1)I bba7fc5edf7c0932c8de644faad89e3d [0,1,0,0,0,0|1,0,0]=2 475 B11R1.1 OCNCc1ccc(cn1)Br 7f3d19f9771c479964bba22b4616ef61 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.1 OCNCc1ccc(cn1)Cl ad113e6a1148f2e84481c6ee13c725cd [0,1,0,0,0,0|2,0,0]=3 477 B11R1.1 OCNCc1ccc(cn1)F 2e534136875f673e3baed66e480ece0d [0,1,0,0,0,0|2,0,0]=3 478 B11R1.1 OCNCc1ccc(nc1)Br 6cc1a4aa1eb5f5b5bbe925f3bb7a418b [0,1,0,0,0,0|2,0,0]=3 479 B11R1.1 OCNCc1ccc(nc1)Cl d558b4ed5167005d1f26f4617ff5147d [0,1,0,0,0,0|2,0,0]=3 480 B11R1.1 OCNCc1ccc(nc1)F 5789e6b9ee5afb311be62d111026ef87 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.1 OCNCc1ccc(nn1)Cl fb96e55678988a17e68d7daa04d27344 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.1 OCNCc1cnc(cn1)Br a0e3c91b97a30433bfae5a1fef465a87 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.1 OCNCc1cnc(cn1)Cl b98f361b115c5bfee317450a51d8d536 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.1 OCNCc1cnc(nc1)Cl 8e1ba5d276407ff88bce32740a69de2f [0,1,0,0,0,0|3,0,0]=4 485 B11R1.1 OCNCc1ncc(cn1)Br 95d96533135cce42fadc2cf890e8f123 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.1 OCNCc1ncc(cn1)Cl 89ef6564fd65ffbfd5ecb7d984b13f81 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.1 OCNCc1ncc(cn1)F e32b8e790cbc46811a1fafcf50c45ee9 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.1 SCCNc1ccc(cc1)Br 41e93a2a025b2d31a08348072d46995d [0,1,0,0,0,0|1,1,0]=3 489 B11R1.1 SCCNc1ccc(cc1)Cl ee69b35444ec478b79ac20b53c76c74b [0,1,0,0,0,0|1,1,0]=3 490 B11R1.1 SCCNc1ccc(cc1)I feb446bc7f74f6fc3358374bc85a5fa6 [0,1,0,0,0,0|1,1,0]=3 491 B11R1.1 SCCNc1ccc(cc1)S 2b2c1e7e53c6fe298543f5113fe04de1 [0,1,0,0,0,0|1,1,0]=3 492 B11R1.1 SCCNc1ccc(cn1)Br f6b3ae38db4d208d9472a656cf209759 [0,1,0,0,0,0|2,1,0]=4 493 B11R1.1 SCCNc1ccc(cn1)Cl 370f82690d6577b3a5e4d98e9b20b4f5 [0,1,0,0,0,0|2,1,0]=4 494 B11R1.1 SCCNc1ccc(cn1)I e98b3cd9100a365b7ae469cccc303ad0 [0,1,0,0,0,0|2,1,0]=4 495 B11R1.1 SCCNc1ccc(nc1)Br 195fe521022e7575ed3f0a637ff8510c [0,1,0,0,0,0|2,1,0]=4 496 B11R1.1 SCCNc1ccc(nc1)Cl a4750a3da390a9eced5a8eb16af646b5 [0,1,0,0,0,0|2,1,0]=4 497 B11R1.1 SCCNc1ccc(nc1)I 93de829cb25fb9a00f3028f949e7d2d3 [0,1,0,0,0,0|2,1,0]=4 498 B11R1.1 SCCOc1ccc(cc1)Br bec71d6fa1c3471b8eb02dbdf51052b8 [0,1,0,0,0,0|1,1,0]=3 499 B11R1.1 SCCOc1ccc(cc1)Cl 4097eb53f6e8a186542d58da584632ba [0,1,0,0,0,0|1,1,0]=3 500 B11R1.1 SCCOc1ccc(cc1)I d7cb4bc51a02120fb1493ad10574d07c [0,1,0,0,0,0|1,1,0]=3 501 B11R1.1 SCCOc1ccc(cc1)S 82e09f61a6f4576bab72abe9784dd780 [0,1,0,0,0,0|1,1,0]=3 502 B11R1.1 SCCOc1ccc(cn1)Cl cfe42552e9127c0fb0aa4c2a6f99c83c [0,1,0,0,0,0|2,1,0]=4 503 B11R1.1 SCCOc1ccc(cn1)I 20a50db09c759c9079c8425e41725441 [0,1,0,0,0,0|2,1,0]=4 504 B11R1.1 SCCOc1ccc(nc1)Br 9d7fd52545e7208859a8d076129dbd84 [0,1,0,0,0,0|2,1,0]=4 505 B11R1.1 SCCOc1ccc(nc1)Cl 4106f499ece62c4b04a8c7172df2ee74 [0,1,0,0,0,0|2,1,0]=4 506 B11R1.1 SCCOc1ccc(nc1)I 7355139a016853b23c19cab6223d7297 [0,1,0,0,0,0|2,1,0]=4 507 B11R1.1 Sc1ccc(cc1)NCCBr 2fd36e3b90e35bd113cc6aa6559ccbb3 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.1 Sc1ccc(cc1)NCCI 3102b13fbfd44fa9c9c245c461b01292 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.1 [O-][n+]1ccc(cc1)COCF b9c9b6c780e261ac10715be031baa69f [0,1,0,0,0,0|3,0,0]=4 510 B11R1.16 C#CCN(C)c1ccccc1 3ca89e194431e8e98a41325339f135b2 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.16 C=CCN(C)c1ccccc1 cb57bdb31a063701918aa00f058638bf [0,1,0,0,0,0|2,0,1]=4 512 B11R1.16 CC(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [0,1,0,0,0,0|1,0,2]=4 513 B11R1.16 CC(NCF)c1ccccn1 0905269fa9a0af5b89b0863135e0ba86 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.16 CC(NCF)c1ccncc1 52244c9bda4d3b96fb892679ba84673a [0,1,0,0,0,0|3,0,0]=4 516 B11R1.16 CC(NCO)c1ccccn1 92e2d7a3e5eb4a0cf656a3abd8120ca1 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.16 CC(NCO)c1cccnn1 cdc5021fcca39b3957422f2e8bcf1270 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.16 CC(NCO)c1ccncc1 c1d5cc5db08b36fc1a8cd8b573f9e139 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.16 CC(NCO)c1ccncn1 cb7e7ea8a01294c466ca538217d18891 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.16 CC(NCO)c1ccnnc1 2e101848f31fcf97ba612ab1eb7820fa [0,1,0,0,0,0|3,0,0]=4 522 B11R1.16 CC(NCO)c1cnccn1 dd375ba3f51181f3178a09958c46ca97 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.16 CC(NCO)c1cncnc1 9fc9ecc98a1b748cf2370860194d8dc5 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.16 CC(NCO)c1ncccn1 3265212dd8f0014d8897c4c2333ba145 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.16 CC(OCF)c1ccccn1 2375003933f3ce846737f38420e767b3 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.16 CC(OCF)c1ccncc1 6bf0979779201a0d2383a11ee6cede62 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [0,1,0,0,0,0|2,0,0]=3 530 B11R1.16 CCCN(C)c1ccccn1 8ff1db8620efe8553f2af13d547cf9e1 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.16 CCCN(C)c1cccnc1 28cb54c9c808eaf7ba52852976110e8a [0,1,0,0,0,0|3,0,0]=4 532 B11R1.16 CCCN(C)c1ccncc1 f3869aa81991c685d55848e048247f3e [0,1,0,0,0,0|3,0,0]=4 533 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.16 CCNC(C)c1ccccn1 1349d82fdb3aca31d54d33a892f4429f [0,1,0,0,0,0|3,0,0]=4 535 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [0,1,0,0,0,0|3,0,0]=4 536 B11R1.16 CCNC(C)c1ccncc1 4381b6d20643b9397cf1c3275f14ef7f [0,1,0,0,0,0|3,0,0]=4 537 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [0,1,0,0,0,0|2,0,0]=3 538 B11R1.16 CCN[C@@H](C)c1ccccn1 6becaa5dd299afbde8d9e40b8df2b64b [0,1,0,0,0,0|3,0,0]=4 539 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.16 CCN[C@@H](C)c1ccncc1 00312d91ebda62098fbd65a2d65ba17c [0,1,0,0,0,0|3,0,0]=4 541 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.16 CCN[C@H](C)c1ccccn1 de5b9d337b6c15bb985fd6d76426b016 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.16 CCN[C@H](C)c1ccncc1 d9dd8baf03e60276588d8bf323f0d599 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [0,1,0,0,0,0|2,0,0]=3 546 B11R1.16 CCOC(C)c1ccccn1 2349fef21e807c42cd2b612eadfb89fd [0,1,0,0,0,0|3,0,0]=4 547 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.16 CCOC(C)c1ccncc1 e4e418e4b9933d9ffab69561c2ee0b8d [0,1,0,0,0,0|3,0,0]=4 549 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.16 CCO[C@@H](C)c1ccccn1 d31d85c16530817c2b81fb1a03fe7e57 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.16 CCO[C@@H](C)c1ccncc1 10c7e45b7f2432aed0d2d85f0e9de43f [0,1,0,0,0,0|3,0,0]=4 553 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.16 CCO[C@H](C)c1ccccn1 c768b24f1cd72ff8137851b753ae2d04 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.16 CCO[C@H](C)c1ccncc1 be826d73c7c9b4a2a044295b6bfe0a2c [0,1,0,0,0,0|3,0,0]=4 557 B11R1.16 CN(CC#N)c1ccccc1 e4996d8d05652ac5f69757d7a543c8c3 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.16 CN(CC=O)c1ccccc1 669b7315010cb1229c9893a5bac75e38 [0,1,0,0,0,0|1,0,2]=4 559 B11R1.16 CN(CCF)c1ccccc1 10541e2e32dac0db7a85ea44620c0e3e [0,1,0,0,0,0|2,0,0]=3 560 B11R1.16 CN(CCF)c1cccnc1 0c417327f73403e17ed488303ca6b0c4 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.16 CN(CCF)c1ccncc1 bd3fbcee4c8d75fe9f1ec4c8807aa902 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.16 CN(CCO)c1ccccc1 4b734b8d391d02ddf47f0308fb1d22c8 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.16 CN(CCO)c1ccccn1 e37523a54a1bd0bac80e99fe2cbc8f05 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.16 CN(CCO)c1cccnc1 47cb1f96fe61f8c7bd838cc6c9d317ed [0,1,0,0,0,0|2,0,0]=3 565 B11R1.16 CN(CCO)c1cccnn1 ff925a4f711f21db744f06b623129ba0 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.16 CN(CCO)c1ccncc1 3a6a0ee6c83dc5948a0c721338083c57 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.16 CN(CCO)c1ccncn1 76355a248654fcdc6fabf8015a5b4720 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.16 CN(CCO)c1ccnnc1 edd6701b0ec2f2bec8bfc4b51a5eff36 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.16 CN(CCO)c1cnccn1 bdad212bbcc3afe5eea664c568345e02 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.16 CN(CCO)c1ncccn1 5d139c41b2a348318ba0b979ddce26b7 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.16 CN(CCS)c1ccccn1 de84abbd40dd1eead0c63b1f2ba48791 [0,1,0,0,0,0|2,1,0]=4 572 B11R1.16 CN(CCS)c1cccnc1 5bb9078bc645c6a66ca8b72acfaf15de [0,1,0,0,0,0|2,1,0]=4 573 B11R1.16 CN(CCS)c1ccncc1 6b7a6f86f0d58bddc30bb09414ed45b7 [0,1,0,0,0,0|2,1,0]=4 574 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [0,1,0,0,0,0|3,0,0]=4 575 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [0,1,0,0,0,0|3,0,0]=4 576 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [0,1,0,0,0,0|1,0,2]=4 577 B11R1.16 C[C@@H](NCF)c1ccccn1 99b97b5aa9cfaef5c750c0b6f424a155 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [0,1,0,0,0,0|3,0,0]=4 579 B11R1.16 C[C@@H](NCF)c1ccncc1 7c723b81de2f22629dc13a66a3539cc2 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.16 C[C@@H](NCO)c1ccccn1 06a1df171fb3e867c231d94d30fe4c59 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.16 C[C@@H](NCO)c1ccncc1 7d10d857a4fd7fe5ca5ccba46504091e [0,1,0,0,0,0|2,0,0]=3 583 B11R1.16 C[C@@H](NCO)c1cncnc1 1c0554ba6fa8c60365eaf20efc996e54 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.16 C[C@@H](OCF)c1ccccn1 452563b793d445f90c7b5445d0861252 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.16 C[C@@H](OCF)c1ccncc1 1ab9725f241037c368e977085ea4a520 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [0,1,0,0,0,0|1,0,2]=4 589 B11R1.16 C[C@H](NCF)c1ccccn1 3f81f6af69df7aaa916f5a60f5ffdf6c [0,1,0,0,0,0|3,0,0]=4 590 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.16 C[C@H](NCF)c1ccncc1 01b512844ac187d8e5e90b8a3d251ae9 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.16 C[C@H](NCO)c1ccccn1 d98746896574333cf45787ddae8ffaa8 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.16 C[C@H](NCO)c1ccncc1 6f6a1ba3773069295a22e913e615ab17 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.16 C[C@H](NCO)c1cncnc1 5bbbb0b60e6c2ff1d740a2b5c5c4b1bf [0,1,0,0,0,0|3,0,0]=4 596 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [0,1,0,0,0,0|2,0,0]=3 597 B11R1.16 C[C@H](OCF)c1ccccn1 6ecec266ea2cccd56a91b2c7f7312784 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.16 C[C@H](OCF)c1ccncc1 1ba2b2d00b1ff65d044471b9d6a9a89a [0,1,0,0,0,0|3,0,0]=4 600 B11R1.17 C#CCNc1ccccc1Cl 49593183fb9959b3f4cb0298fb5cee58 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.17 C#CCNc1ccccc1F c0d4540207992398f450961e31fa0194 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.17 C#CCNc1ccccc1I 7b51ebd2871bb0e184045a8cdf6d66d9 [0,1,0,0,0,0|2,0,1]=4 603 B11R1.17 C#CCOc1ccccc1Br fe1ac72c77dfb406014d1926ff78c2fd [0,1,0,0,0,0|2,0,1]=4 604 B11R1.17 C#CCOc1ccccc1C 864e1e3c9f9da9eeb19be48cda1d2952 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.17 C#CCOc1ccccc1Cl ac0081f46ae6ca47ec07c387a9aff46c [0,1,0,0,0,0|2,0,1]=4 606 B11R1.17 C#CCOc1ccccc1F 45206938663dc5d59f458a433382d447 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.17 C#CCOc1ccccc1S 926aaf157f925ef16cefb594a23cdb0e [0,1,0,0,0,0|2,0,1]=4 608 B11R1.17 C=CCNc1ccccc1Br 45171f98de3cf055ad8296095abf8a72 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.17 C=CCNc1ccccc1C 227804e9ec39e8a3152168e4771a33a4 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.17 C=CCNc1ccccc1Cl 22feb608c0b85e4420084046341860a2 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.17 C=CCNc1ccccc1F 63452e5c6ec5ab9693bd6664ca8dd13b [0,1,0,0,0,0|2,0,1]=4 612 B11R1.17 C=CCNc1ccccc1I d363c07fc1f12e6cff19384ac05ea9d2 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.17 C=CCNc1ccccc1S 9618c19886e595bcf2b31b8101182f0f [0,1,0,0,0,0|2,0,1]=4 614 B11R1.17 C=CCOc1ccccc1Br 4219c528216a56e11dfd4a15041b71e9 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.17 C=CCOc1ccccc1C 420c56a798f432c55ab7076030ddf302 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.17 C=CCOc1ccccc1Cl 60d7332fdfafa715c60cd99db260ce28 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.17 C=CCOc1ccccc1F cfe0e61e867eaa1bb6bf5b2b171e2161 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.17 C=CCOc1ccccc1I ffdd736d21d64cd3e87dc3be0d6164f1 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.17 C=CCOc1ccccc1S c76936b9ce1c64eb66f6caeb41aad97f [0,1,0,0,0,0|2,0,1]=4 620 B11R1.17 CCCNc1c[nH]ccc1=O 30490874c6a3d6f814f9956a624f9fd7 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.17 CCCNc1c[nH]ccc1=S 5028a294c65f2e90d2d2851d905f870a [0,1,0,0,0,0|3,0,0]=4 622 B11R1.17 CCCNc1ccc[nH]c1=S 95b7466acbed8c0b7f8cbffc47d54420 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.17 CCCNc1cccc[n+]1[O-] 9aa6a23beaed595bd0e08509502f2e88 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.17 CCCNc1ccccc1Cl f06644db92e5a5e5c88ba3d72e76b09c [0,1,0,0,0,0|2,0,0]=3 625 B11R1.17 CCCNc1ccccc1F b26d422a9020f42016e9a773ea4da59b [0,1,0,0,0,0|2,0,0]=3 626 B11R1.17 CCCNc1ccccc1I 9667c1f0fcc826e8e0c3d31e03051206 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.17 CCCNc1cccnc1Br 806ab32b880ec60eaa8de37c8b9a09b3 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.17 CCCNc1cccnc1C 22a2471d4061d7e8b2734dc78b59847f [0,1,0,0,0,0|3,0,0]=4 629 B11R1.17 CCCNc1cccnc1Cl d863e25eb1d7fae0beb4f2a560b9b1a5 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.17 CCCNc1cccnc1F 6429f1513f49f5fa6ff7fe16885b526b [0,1,0,0,0,0|3,0,0]=4 631 B11R1.17 CCCNc1cccnc1I 9bb718503ad944c42a1784cec5f7c8f8 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.17 CCCNc1ccncc1Br 5baccc8ac20f503351c093fe202f5f71 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.17 CCCNc1ccncc1C ed096cc09ac09389a33110eb02659afe [0,1,0,0,0,0|3,0,0]=4 634 B11R1.17 CCCNc1ccncc1Cl caa35332e0171bc74c66981862eeba0a [0,1,0,0,0,0|3,0,0]=4 635 B11R1.17 CCCNc1ccncc1F 4edd1964ca584c942ef3c4bc7c8fe94f [0,1,0,0,0,0|3,0,0]=4 636 B11R1.17 CCCNc1ccncc1I 816ce29e0ba508b65573d6a0f07ce58d [0,1,0,0,0,0|3,0,0]=4 637 B11R1.17 CCCNc1cnccc1Br 007b289babfb84404970e908ef031a59 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.17 CCCNc1cnccc1C dcefa786e0d72c346e2c2a750f3eb355 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.17 CCCNc1cnccc1Cl 2b75a2dd8a9c947a7db5a224583f2e53 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.17 CCCNc1cnccc1F 0c96675d5ae34365508907ee1228ef3a [0,1,0,0,0,0|3,0,0]=4 641 B11R1.17 CCCNc1cnccc1I 39c336e4f6a77f3ce348958797714058 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.17 CCCNc1ncccc1Br afdad602cc18eba6538110beb8225730 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.17 CCCNc1ncccc1C abec0375ee082a7d48f7cf43776cf112 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.17 CCCNc1ncccc1Cl b509a2ca435f1e67a922e5764a1cf9c5 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.17 CCCNc1ncccc1F af3a157f218544df912ffebf16be14cb [0,1,0,0,0,0|3,0,0]=4 646 B11R1.17 CCCNc1ncccc1I c4c7e827ce85817f94824160ced25561 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.17 CCCOc1ccc[nH]c1=S 823c5427471293a6b4877bd1519315ca [0,1,0,0,0,0|3,0,0]=4 648 B11R1.17 CCCOc1cccc[n+]1[O-] 82deb6f6c59813d3c334fbb145a1cf35 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.17 CCCOc1ccccc1C 6c1a4dc1e6028f3da6f849553f219900 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.17 CCCOc1ccccc1Cl 4721246108b2629d9b8b29c6ad627685 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.17 CCCOc1ccccc1F e002653ab86def653a9f4f2e92420612 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.17 CCCOc1ccccc1I 2ec532f87a4a1971649b297302a06402 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.17 CCCOc1ccccc1S a0d26031bd542d5d05da52b2adf5a399 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.17 CCCOc1cccnc1Br 115afbdd34d18eb1d8ab3c1f8d43d3be [0,1,0,0,0,0|3,0,0]=4 655 B11R1.17 CCCOc1cccnc1C 1ed437f8fbe2f5e0b870ba84e31d17c0 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.17 CCCOc1cccnc1Cl edf30018692c32749c24b87a6d0498a1 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.17 CCCOc1cccnc1F 5ee70f4822753bd9da31b99184a90a77 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.17 CCCOc1cccnc1I 3e57bebc485592a1e6ceadbef8f3a8b5 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.17 CCCOc1cccoc1=O 6138b137437ffe69557e48d4e459d7b1 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.17 CCCOc1ccncc1Br d86fdc6f369361e6dd143014c3fcc95b [0,1,0,0,0,0|3,0,0]=4 661 B11R1.17 CCCOc1ccncc1C 3073b76d6073e61bbeb487a8fcbb554b [0,1,0,0,0,0|3,0,0]=4 662 B11R1.17 CCCOc1ccncc1Cl 2e20845339f1a9b7a13d7a11772fe9ba [0,1,0,0,0,0|3,0,0]=4 663 B11R1.17 CCCOc1ccncc1F d068a6fff4820cdae1a2251c79e22937 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.17 CCCOc1cnccc1Br 33eee72d4b7297486d5285207fea74a8 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.17 CCCOc1cnccc1C 45ff092a3d49118757409dc90c0d8b53 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.17 CCCOc1cnccc1Cl 129434639f839466cae39279066d29a9 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.17 CCCOc1cnccc1F 7275b9af8dd5f2cc96d1a4ae1db2b570 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.17 CCCOc1cnccc1I 398d79496d40e0c234bb46c874339373 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.17 CCCOc1coccc1=O b6bf03e1584dff0542ba5ae4918d593d [0,1,0,0,0,0|3,0,0]=4 670 B11R1.17 CCCOc1ncccc1Br 591cb4e29b3d78165b95627fad6003be [0,1,0,0,0,0|3,0,0]=4 671 B11R1.17 CCCOc1ncccc1C 75d7921d560a6b2f851a2acab9f2614a [0,1,0,0,0,0|3,0,0]=4 672 B11R1.17 CCCOc1ncccc1Cl 0a16720fcbf52b5cf544018f35b8eeec [0,1,0,0,0,0|3,0,0]=4 673 B11R1.17 CCCOc1ncccc1F ee3952c45bf36a13ea36600dcc4a174a [0,1,0,0,0,0|3,0,0]=4 674 B11R1.17 CCCOn1ccccc1=N c3e5c6befd39507962097d04a5993bb6 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.17 CCCOn1ccccc1=O 92412e4a3e132ee80b8a961a7007d7f9 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.17 CCCOn1ccccc1=S 7e6c660224fc15a11584e60a50320275 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.17 CCNCc1cccc[n+]1[O-] 4482be04b13bf2a14654c2b7dc44e9ba [0,1,0,0,0,0|3,0,0]=4 678 B11R1.17 CCNCc1ccccc1Br 8f6bd2781373b66afc29396cae666f02 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.17 CCNCc1ccccc1C 284345fa1eb882542c433fcb95919ca4 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.17 CCNCc1ccccc1Cl db65b4e8d8ccf115e617990e552ab4c8 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.17 CCNCc1ccccc1F 9048c9b0864184d75154ea96f3fe50b8 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.17 CCNCc1ccccc1I d0f5abf080424e879ba8e6dfea920ca7 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.17 CCNCc1cccnc1Br 32ff08bdc8b36f4fd72794d17b8094db [0,1,0,0,0,0|3,0,0]=4 684 B11R1.17 CCNCc1cccnc1C 0a1b3485e2e73031e3e3fc0c87c75e22 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.17 CCNCc1cccnc1Cl 9f0320d1cb7ffe46922a86002c904be4 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.17 CCNCc1cccnc1F 2e93965ca7c62978c851e96fc991f385 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.17 CCNCc1ccncc1Br 4146c57719c4214353b9e0a0192ab294 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.17 CCNCc1ccncc1C 959f5887b5695b7da0c1d9119cd1d02d [0,1,0,0,0,0|3,0,0]=4 689 B11R1.17 CCNCc1ccncc1Cl c88983b00bc64b2923854d4c84d9ac44 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.17 CCNCc1ccncc1F b7377fd886bb5422ff2b6a184eefb6a7 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.17 CCNCc1cnccc1C 4bf7654e6c7ab59c2c967e90494ba077 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.17 CCNCc1ncccc1Br 09995fa96814a8c54c9bca09512a1c87 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.17 CCNCc1ncccc1C 87bcb20686c74c1349ceb9aba049bbf8 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.17 CCNCc1ncccc1Cl 3fcb8c6a497a9d9b3a48e230bfe378a1 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.17 CCNCc1ncccc1F dda2cc3453d8ca1ee059e44555253881 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.17 CCOCc1ccc[nH]c1=O 5a855846d572bde3e5fb10b6739b9742 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.17 CCOCc1ccccc1C 939ca93b69bfa487d1d8ecb62c2d84e3 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.17 CCOCc1ccccc1Cl e7556758f6c778f3c386ca652094b5cc [0,1,0,0,0,0|2,0,0]=3 699 B11R1.17 CCOCc1ccccc1F 5a297cb41f57dfedbabc975eceaf6126 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.17 CCOCc1ccccc1I 7a255f979ee626f845777c39e07b9738 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.17 CCOCc1cccnc1Br 84c896bbf791f636167b96d78239b3f5 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.17 CCOCc1cccnc1C 10fe290309f01ddd76b919ada33fcfb8 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.17 CCOCc1cccnc1Cl 0fdb01e029eba9fd77978b05f349ad64 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.17 CCOCc1cccnc1F 26b203b8b1a12b477d6336928b6ab8d4 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.17 CCOCc1ccncc1Br 7fea4acea2c5526a7051925c6a3e6d0b [0,1,0,0,0,0|3,0,0]=4 706 B11R1.17 CCOCc1ccncc1C c2e03a76229a18838878f9a03032e5ea [0,1,0,0,0,0|3,0,0]=4 707 B11R1.17 CCOCc1ccncc1Cl 1c546d21bdf269acd61e737db0aac5c9 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.17 CCOCc1ccncc1F e413c9ff65fce8974f443c480b5d6247 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.17 CCOCc1ccncc1I 8c85472884ce798142cf3dd5a07777d9 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.17 CCOCc1cnccc1Br 750cda4e9bc34f5a91eb935189c60ab8 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.17 CCOCc1cnccc1C c7331a6c4dde5c450ee6a5c1e8ddd68f [0,1,0,0,0,0|3,0,0]=4 712 B11R1.17 CCOCc1cnccc1Cl d0ea2c29bb03569328f3a86c14865fe2 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.17 CCOCc1cnccc1F 35e2ec5af2d1d295476ee94596fb4fa5 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.17 CCOCc1ncccc1Br a900f8070f81c4dcfb6829872fbeb70d [0,1,0,0,0,0|3,0,0]=4 715 B11R1.17 CCOCc1ncccc1C 22c6c25dddf153fd6e4a707af4b8068f [0,1,0,0,0,0|3,0,0]=4 716 B11R1.17 CCOCc1ncccc1Cl 3c0fdcad26845cb45b2978d3ea158930 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.17 CCOCc1ncccc1F 27994f3f8111644da417064253c7144c [0,1,0,0,0,0|3,0,0]=4 718 B11R1.17 COCNc1ccccc1C fb9a5d913c4919343dd03f9e91ff77a7 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.17 COCNc1ccccc1Cl 37814819f7301c2697cb787bf3caaaf8 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.17 COCNc1ccccc1F 012796c2f433b353de6e293cf868c18c [0,1,0,0,0,0|3,0,0]=4 721 B11R1.17 COCNc1ccccc1I 35361f687b9768a5f1a636654e8c5a8e [0,1,0,0,0,0|3,0,0]=4 722 B11R1.17 COCOc1ccccc1C 716fa0606a50157c01134bcaabfa95bd [0,1,0,0,0,0|3,0,0]=4 723 B11R1.17 COCOc1ccccc1Cl 63c703b93e4b02a8003a5132c238f561 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.17 COCOc1ccccc1F e22b80c6c7e596d1bc182ef8d0d8cb18 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.17 CSCNc1ccccc1F 9b4d3e42ede948c3ffb1bbc9d3fe8d03 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.17 CSCNc1ccccc1I a0076d1329bc09c3003b2ceb79d20cbe [0,1,0,0,0,0|3,0,0]=4 727 B11R1.17 CSCOc1ccccc1C bbddea75066310ddae50c52e1fce5d3e [0,1,0,0,0,0|3,0,0]=4 728 B11R1.17 CSCOc1ccccc1Cl 5d51d1316509893e2db24974b33cf402 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.17 CSCOc1ccccc1F 14f1053691f335280e6f60bd9f75106c [0,1,0,0,0,0|3,0,0]=4 730 B11R1.17 CSCOc1ccccc1I 4e0705c8c2f09f68040c0c612c698d64 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.17 Cc1ccccc1CNC#N 7d6a9c5d41e74b80e4ae41ce8842d9ae [0,1,0,0,0,0|2,0,1]=4 732 B11R1.17 Cc1ccccc1CNC=O a0b11915ba3bdfe6d1bbea580cf346f5 [0,1,0,0,0,0|1,0,2]=4 733 B11R1.17 Cc1ccccc1CNCF 15e4bda543c50e3e0f080863eb75d61e [0,1,0,0,0,0|2,0,0]=3 734 B11R1.17 Cc1ccccc1CNCO f33352c0e02ea4b4ea9a0720598f200e [0,1,0,0,0,0|1,0,0]=2 735 B11R1.17 Cc1ccccc1COCF 26a9ff4e1acee4455bed5578adee3d1b [0,1,0,0,0,0|2,0,0]=3 736 B11R1.17 Cc1ccccc1NCC=O 3978b3e144b493b059eb1f48959067dc [0,1,0,0,0,0|1,0,2]=4 737 B11R1.17 Cc1ccccc1NCCBr 1a7be6e12078aed98559b61c844bde43 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.17 Cc1ccccc1NCCF 0e5d4c97f9157c508297bd93ae8f5371 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.17 Cc1ccccc1NCCO 5035e646db6f3a444835335ac8083c14 [0,1,0,0,0,0|1,0,0]=2 740 B11R1.17 Cc1ccccc1NCCS 2a25a74370bfe5d7316ba8388c7b4945 [0,1,0,0,0,0|1,1,0]=3 741 B11R1.17 Cc1ccccc1OCC#N e555abb312817205bf95bee8927212e8 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.17 Cc1ccccc1OCC=O e0558a57ba2ba7c3e857a3e3bd611b2b [0,1,0,0,0,0|1,0,2]=4 743 B11R1.17 Cc1ccccc1OCCF f6d7b302f46f820a9e73f4fb8f637bde [0,1,0,0,0,0|2,0,0]=3 744 B11R1.17 Cc1ccccc1OCCS b005873ca988c2b5b3e2488fe6505c14 [0,1,0,0,0,0|1,1,0]=3 745 B11R1.17 Cc1cccnc1CNCF 2c26c481bd112f7c3bb7a25857042abb [0,1,0,0,0,0|3,0,0]=4 746 B11R1.17 Cc1cccnc1CNCO 30441c00bc8726da80cd698c0c87c74c [0,1,0,0,0,0|2,0,0]=3 747 B11R1.17 Cc1cccnc1COCF f9daa7504b746dc27a9e9ed20f0e1520 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.17 Cc1cccnc1NCCF c6a56b86cfcc66034f29d7ba2dfdfbec [0,1,0,0,0,0|3,0,0]=4 749 B11R1.17 Cc1cccnc1NCCO 478e63720a6f78f7fa3d3c8fa6de1dc4 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.17 Cc1cccnc1NCCS b23ea2db8bf1ef5c05a6fe50d695e40b [0,1,0,0,0,0|2,1,0]=4 751 B11R1.17 Cc1cccnc1OCCF faf3152ba6945693ae32a3e095a2b826 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.17 Cc1cccnc1OCCS ebc37bd504865bb3bd37cc174cef578b [0,1,0,0,0,0|2,1,0]=4 753 B11R1.17 Cc1ccncc1CNCO 8820a85b37c3e4693661ff6b2f5470a7 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.17 Cc1ccncc1COCF 6ba151555c805d1e66a0728d7aa61884 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.17 Cc1ccncc1NCCBr ebaa4a866fd8c80721b9799be388adce [0,1,0,0,0,0|3,0,0]=4 756 B11R1.17 Cc1ccncc1NCCF 2ef90324a881a31db299a88129ec4844 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.17 Cc1ccncc1NCCO 71303c497b4f37f3acd74a0343a0436a [0,1,0,0,0,0|2,0,0]=3 758 B11R1.17 Cc1ccncc1NCCS b4ff3744944f2e86ed4174d624c4831c [0,1,0,0,0,0|2,1,0]=4 759 B11R1.17 Cc1ccncc1OCCF 790356a58e00705ea2b37a100fdb1cbd [0,1,0,0,0,0|3,0,0]=4 760 B11R1.17 Cc1ccncc1OCCS ecd040589ca1bf0c24fc187948098eca [0,1,0,0,0,0|2,1,0]=4 761 B11R1.17 Cc1ccnnc1CNCO 3e0ea6ea3eecd15401d0ea825c17e967 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.17 Cc1ccnnc1NCCO 9355bc05ecca1e731178eec29eae94c1 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.17 Cc1cnccc1CNCF 41618b823bf47a72d876d2d565d2e2e8 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.17 Cc1cnccc1CNCO f46edf824f8d525036629a5904a74512 [0,1,0,0,0,0|2,0,0]=3 765 B11R1.17 Cc1cnccc1COCF f999801730ba8a2525e52378579e076f [0,1,0,0,0,0|3,0,0]=4 766 B11R1.17 Cc1cnccc1NCCF e216285f6128b168ce549d3af76aeece [0,1,0,0,0,0|3,0,0]=4 767 B11R1.17 Cc1cnccc1NCCO 0a487d14b9965ddf673112095ea27432 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.17 Cc1cnccc1NCCS 1b5c9e3146854d4ce3d8b9b51d3d45f3 [0,1,0,0,0,0|2,1,0]=4 769 B11R1.17 Cc1cnccc1OCCF dcd1c4a13b877382c727c4e87a30bd84 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.17 Cc1cnccc1OCCS 2b62f67ec9564ce543a9097c3acd66f4 [0,1,0,0,0,0|2,1,0]=4 771 B11R1.17 Cc1cncnc1NCCO 67dceabf03539bf31b079f316e40daf8 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.17 Cc1ncccc1CNCF 42120e4e220f799847279a84e94cfdbc [0,1,0,0,0,0|3,0,0]=4 773 B11R1.17 Cc1ncccc1CNCO ebac33228c10df30635cfd2541d72802 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.17 Cc1ncccc1COCF 46ede525f55173cd145969e403185011 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.17 Cc1ncccc1NCCF 9c2f8d2321a295a109e1aa76cb8ce55a [0,1,0,0,0,0|3,0,0]=4 776 B11R1.17 Cc1ncccc1NCCO ab9708ed7eee969d0130cff840722f62 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.17 Cc1ncccc1NCCS 50f8f955ec73f64bd1f215b873f4222e [0,1,0,0,0,0|2,1,0]=4 778 B11R1.17 Cc1ncccc1OCCF 5b73715426081cbea599efa1da7ddb58 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.17 Cc1ncccc1OCCS 00c7b154e3d7df917df7504ccc99990a [0,1,0,0,0,0|2,1,0]=4 780 B11R1.17 Cc1nccnc1NCCO d0ad8d72f79faf6fcc5be3bb779c12c3 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.17 Cc1ncncc1NCCO 455adc7c4fd36cf47cf6544478c6fbc9 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.17 Cc1nnccc1NCCO 619582f15720ca97e46ad4630268cb7c [0,1,0,0,0,0|3,0,0]=4 783 B11R1.17 FCCNc1ccc[nH]c1=S fa3ab34a9abac3ef221f4aff70e0a9f6 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.17 FCCNc1ccccc1Cl f556874146c6a72f9a84f0bd26070247 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.17 FCCNc1ccccc1F e2cbe2a439b6bba8166d18f4a8de4742 [0,1,0,0,0,0|2,0,0]=3 786 B11R1.17 FCCNc1ccccc1I 3c8616ee89755bf6f05caef3c69371bd [0,1,0,0,0,0|2,0,0]=3 787 B11R1.17 FCCNc1cccnc1Br 7c99385385011f29c419f657de09dac2 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.17 FCCNc1cccnc1Cl 301b3b4e0ac47420f6cbeb0eac43f5d0 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.17 FCCNc1cccnc1F 2b64dfd10f226a7d89299c208ff0f7ac [0,1,0,0,0,0|3,0,0]=4 790 B11R1.17 FCCNc1cccnc1I 42d83e232a77f9285e1ae9d16dbfcfac [0,1,0,0,0,0|3,0,0]=4 791 B11R1.17 FCCNc1ccncc1Br e1853d69b3368affdab8d36f7e1d7868 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.17 FCCNc1ccncc1Cl 8b5872429f85857c5bf19d23f07e427e [0,1,0,0,0,0|3,0,0]=4 793 B11R1.17 FCCNc1ccncc1F 09ab77d7fa0615f920976bbf0d1b336b [0,1,0,0,0,0|3,0,0]=4 794 B11R1.17 FCCNc1ccncc1I e2a06c9e8a1cf9ec7e4b4b71101ece46 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.17 FCCNc1cnccc1Br 4dc749aa774a21e990aa4655635cc5bf [0,1,0,0,0,0|3,0,0]=4 796 B11R1.17 FCCNc1cnccc1Cl ea79d17d5c50206396469d4945a43136 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.17 FCCNc1cnccc1F 5e5485a0406ad63140f89e1748b79eec [0,1,0,0,0,0|3,0,0]=4 798 B11R1.17 FCCNc1cnccc1I ecaf2df3d81fb3ac70b0455a8670c20b [0,1,0,0,0,0|3,0,0]=4 799 B11R1.17 FCCNc1ncccc1Br e6f854786d4173f29b78bacd07ccab9c [0,1,0,0,0,0|3,0,0]=4 800 B11R1.17 FCCNc1ncccc1Cl 54ec6525c21e81548ff61bcd7ae7d624 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.17 FCCNc1ncccc1F 358cffd023b274f732cda0b5c2190c27 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.17 FCCNc1ncccc1I bc5009ad55d84156cf420a73fc3fc6d5 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.17 FCCOc1ccc[nH]c1=S f1c9a2af79301c769cdc31d304213832 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.17 FCCOc1ccccc1Cl 01c3ab339b3cc97f239d998f0df99ac6 [0,1,0,0,0,0|2,0,0]=3 805 B11R1.17 FCCOc1ccccc1F 89d9f7646bebd63d142c637ad96d7af6 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.17 FCCOc1ccccc1I e68149bbe7bd740697745ed331d108ad [0,1,0,0,0,0|2,0,0]=3 807 B11R1.17 FCCOc1cccnc1Br a3c04d8774f9f9cc174f37c50dde27f9 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.17 FCCOc1cccnc1Cl 40f48e7bcc418844b3a5b887d913f368 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.17 FCCOc1cccnc1F 97be8258135a5547ba5d00017337ff98 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.17 FCCOc1cccnc1I 0ba859b06d278fc19b7ce95339b92773 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.17 FCCOc1ccncc1Br 0a69a16e693bb3fdac6569ac97b1848b [0,1,0,0,0,0|3,0,0]=4 812 B11R1.17 FCCOc1ccncc1Cl d569e4ea0c4f71aad04571f87e019cc7 [0,1,0,0,0,0|3,0,0]=4 813 B11R1.17 FCCOc1ccncc1F 0009a42c47549e73645c7d08c247cc3c [0,1,0,0,0,0|3,0,0]=4 814 B11R1.17 FCCOc1cnccc1Br 8c217bae4c76b2900a3cbe27dc21a772 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.17 FCCOc1cnccc1Cl 9df2862e014cb05c116c0e159d611e77 [0,1,0,0,0,0|3,0,0]=4 816 B11R1.17 FCCOc1cnccc1F 858ead6ca42de65101212d89a76786a5 [0,1,0,0,0,0|3,0,0]=4 817 B11R1.17 FCCOc1cnccc1I fba3209bb705fcde0f2dbfc127699351 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.17 FCCOc1ncccc1Cl b73f55a16bf1f494913a7a4f0b401a23 [0,1,0,0,0,0|3,0,0]=4 819 B11R1.17 FCCOc1ncccc1F 7d56fdd6c51a834d78263d8c857209fd [0,1,0,0,0,0|3,0,0]=4 820 B11R1.17 FCCOn1ccccc1=S bc0a7f1bcf376422dd5c43930558f6f8 [0,1,0,0,0,0|3,0,0]=4 821 B11R1.17 FCNCc1ccccc1Br dc60c3e5196679a6ad7a9fd07289336a [0,1,0,0,0,0|2,0,0]=3 822 B11R1.17 FCNCc1ccccc1Cl b2a7e5b738ab7ee1b7f97a02c137519e [0,1,0,0,0,0|2,0,0]=3 823 B11R1.17 FCNCc1ccccc1F c6a27c7f8e1ab840ee4f8b21e6ebec91 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.17 FCNCc1ccccc1I 072ca4290b9a717a2a3ef28ccf6dc79f [0,1,0,0,0,0|2,0,0]=3 825 B11R1.17 FCNCc1cccnc1Br f7d49efc5de65cca9dfc89308fdfc781 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.17 FCNCc1cccnc1Cl fa08467d16d358b9b3638472b6b9e2ba [0,1,0,0,0,0|3,0,0]=4 827 B11R1.17 FCNCc1cccnc1F 108b60b6a8b06af4bf655fc04ea62960 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.17 FCNCc1ccncc1Br e08289f36ce8798a704f31f99061f4a3 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.17 FCNCc1ccncc1Cl c80a3f02d5c2e6975abdb60458eac9c2 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.17 FCNCc1ccncc1F 1f6fdbdcc6fb7f5fb4cb441440244e9a [0,1,0,0,0,0|3,0,0]=4 831 B11R1.17 FCNCc1ncccc1Br b5197451dd0022115174347e58eef85d [0,1,0,0,0,0|3,0,0]=4 832 B11R1.17 FCNCc1ncccc1Cl 86f2dce8009a3b1781f46ed662622927 [0,1,0,0,0,0|3,0,0]=4 833 B11R1.17 FCNCc1ncccc1F 8200c19207bf0e71e6f6aec74ff2ecb8 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.17 FCOCc1ccccc1Br 1e405168174e3e5a39762fd8efcb0e02 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.17 FCOCc1ccccc1Cl 1bf9ea1561018dfe59c2c98ef1a6a3e2 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.17 FCOCc1ccccc1F 3daad749644938528762801a7655c80c [0,1,0,0,0,0|2,0,0]=3 837 B11R1.17 FCOCc1ccccc1I 31f2d72b4794f19953f85fef60c6eb00 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.17 FCOCc1ccccc1S ccd959bb9897533e9284e6c6e657b910 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.17 FCOCc1cccnc1Br 58879a73ae4a92534b9327a26a2cf2da [0,1,0,0,0,0|3,0,0]=4 840 B11R1.17 FCOCc1cccnc1Cl 8979be5db8c8769c4021ca49fd6191fa [0,1,0,0,0,0|3,0,0]=4 841 B11R1.17 FCOCc1cccnc1F f496bb666dfb1920444e1dfce6693538 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.17 FCOCc1ccncc1Br 5e297f2c64717959900e9dbfe5308468 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.17 FCOCc1ccncc1Cl 5a6c2786d0b1966daf256038ce66d4db [0,1,0,0,0,0|3,0,0]=4 844 B11R1.17 FCOCc1ccncc1F 3693d310d9b0972e2615570fe20a81b3 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.17 FCOCc1ccncc1I 224c4af720ae2f2f0979921c4bad31c1 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.17 FCOCc1cnccc1Br 57dd2d6bc621d2af4b0802ddf9c280ff [0,1,0,0,0,0|3,0,0]=4 847 B11R1.17 FCOCc1cnccc1Cl 57e1149301597c31b89d6331d2b87d5c [0,1,0,0,0,0|3,0,0]=4 848 B11R1.17 FCOCc1cnccc1F acd44eeee656c6f8cd342331e7db3662 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.17 FCOCc1ncccc1Br e22bdeecaef240afd0cfb86078074969 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.17 FCOCc1ncccc1Cl 0ebe83d88be391885ad0c4cb20c30593 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.17 FCOCc1ncccc1F d288823ff13e57b70fbec0cae23ca618 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.17 Fc1ccccc1NCCS 4e9be5faedc4f5d0920a07998748916a [0,1,0,0,0,0|1,1,0]=3 853 B11R1.17 Fc1ccccc1OCCS b5b3c652dc21fd01fc4857235680bf44 [0,1,0,0,0,0|1,1,0]=3 854 B11R1.17 Fc1cccnc1NCCS eab3d3f37904d3363394eaae4c337f38 [0,1,0,0,0,0|2,1,0]=4 855 B11R1.17 Fc1cccnc1OCCS 6af9dcb9d943c2f57e65086f2e95b3d6 [0,1,0,0,0,0|2,1,0]=4 856 B11R1.17 Fc1ccncc1NCCBr 5fa70ea136ea953cf4cddb18d8b26fe2 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.17 Fc1ccncc1NCCI 6c161e82f33e49cfce9681c075e311d1 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.17 Fc1ccncc1NCCS 1ea2a5743a9e6b31a4168803bd0ea0dc [0,1,0,0,0,0|2,1,0]=4 859 B11R1.17 Fc1ccncc1OCCS 90879f73cdad15d8b58962d162d6ba8c [0,1,0,0,0,0|2,1,0]=4 860 B11R1.17 Fc1cnccc1NCCS f72fe3458cb804e9f718244a62f8e832 [0,1,0,0,0,0|2,1,0]=4 861 B11R1.17 Fc1cnccc1OCCS e5518a0c44caa3089852a15ce7fcdaf4 [0,1,0,0,0,0|2,1,0]=4 862 B11R1.17 Fc1ncccc1NCCS d53062139c6ac8da7f776d1218743f90 [0,1,0,0,0,0|2,1,0]=4 863 B11R1.17 Fc1ncccc1OCCS 3f35b7ea263bf11f2933b51cff223870 [0,1,0,0,0,0|2,1,0]=4 864 B11R1.17 N#CCNc1ccccc1Cl 8c58ef70191a09e0beed9f9bd5ba896c [0,1,0,0,0,0|2,0,1]=4 865 B11R1.17 N#CCNc1ccccc1F 55ba964e12978ad67307cb0b9173fffb [0,1,0,0,0,0|2,0,1]=4 866 B11R1.17 N#CCNc1ccccc1I 3c5ff16a685c43bcbff5d2d70928c791 [0,1,0,0,0,0|2,0,1]=4 867 B11R1.17 N#CCOc1ccccc1Cl 0a4ecd7776fbba0e5aee068fa9c20c9c [0,1,0,0,0,0|2,0,1]=4 868 B11R1.17 N#CCOc1ccccc1F cf61a539ee74b00733e6f53d332a24df [0,1,0,0,0,0|2,0,1]=4 869 B11R1.17 N#CCOc1ccccc1I 11356de832a6f92ab08c97d231648943 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.17 N#CCOc1ccccc1S bc1ef25b77081ed3161febf8e3d481f8 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.17 N#CNCc1ccccc1Br 9586b8358695530ab1a8b16bca763c94 [0,1,0,0,0,0|2,0,1]=4 872 B11R1.17 N#CNCc1ccccc1Cl ca6a7d4fb906418e57086ce29c3af989 [0,1,0,0,0,0|2,0,1]=4 873 B11R1.17 N#CNCc1ccccc1F 3ab5c1d3e43aa31ffa497e310ad8d782 [0,1,0,0,0,0|2,0,1]=4 874 B11R1.17 N#CNCc1ccccc1I bc9e2b7a404940936a1217ee9648d628 [0,1,0,0,0,0|2,0,1]=4 875 B11R1.17 N=c1ccccn1OCCF 91b690988834f72bfc9c802e20cd810a [0,1,0,0,0,0|3,0,0]=4 876 B11R1.17 N=c1ccccn1OCCS 2eccc116f52673838da646b33ff9277c [0,1,0,0,0,0|2,1,0]=4 877 B11R1.17 O=CCNc1ccccc1Br 17c102ad471262e91e3d5140073e2cb8 [0,1,0,0,0,0|1,0,2]=4 878 B11R1.17 O=CCNc1ccccc1Cl ad4fbdb5bba0bd8df193da9558b34740 [0,1,0,0,0,0|1,0,2]=4 879 B11R1.17 O=CCNc1ccccc1F 0d8cd3634a56254e10b990d3291e4c30 [0,1,0,0,0,0|1,0,2]=4 880 B11R1.17 O=CCNc1ccccc1I 19ad5d15abec758c4689b61ba4062aef [0,1,0,0,0,0|1,0,2]=4 881 B11R1.17 O=CCNc1ccccc1S df1bb6fdb2c19d05ddd1b9eec1a99a33 [0,1,0,0,0,0|1,0,2]=4 882 B11R1.17 O=CCOc1ccccc1Br c271982bb471c946ef6060f466a03ff3 [0,1,0,0,0,0|1,0,2]=4 883 B11R1.17 O=CCOc1ccccc1Cl 0a4ca1abc1ce1098826b11dc047b94a7 [0,1,0,0,0,0|1,0,2]=4 884 B11R1.17 O=CCOc1ccccc1F 81d5ad2b00433ccb21bf81200d488a9c [0,1,0,0,0,0|1,0,2]=4 885 B11R1.17 O=CCOc1ccccc1I 078d6b8dfcc021466792e4a1e44e77ac [0,1,0,0,0,0|1,0,2]=4 886 B11R1.17 O=CCOc1ccccc1S 31acf3e44e89170f855a1763ebbc6cea [0,1,0,0,0,0|1,0,2]=4 887 B11R1.17 O=CNCc1ccccc1Br 58e03ef5e72544e0b081657f9f5b4838 [0,1,0,0,0,0|1,0,2]=4 888 B11R1.17 O=CNCc1ccccc1Cl b418b86897393ad70bf26f88a77ebf6f [0,1,0,0,0,0|1,0,2]=4 889 B11R1.17 O=CNCc1ccccc1F 6cd79aefd318241a028748c181ad0758 [0,1,0,0,0,0|1,0,2]=4 890 B11R1.17 O=CNCc1ccccc1I 893983c2cac8ee59f1addbe45883c265 [0,1,0,0,0,0|1,0,2]=4 891 B11R1.17 O=CNCc1ccccc1O df0afa8c91afdac1d44912107063bd10 [0,1,0,0,0,0|1,0,2]=4 892 B11R1.17 O=c1[nH]cccc1COCF d5400b676c99218b3a1980cbcd373986 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.17 O=c1[nH]cccc1NCCO cc68334eb3c628cfa3c24f07b04e588e [0,1,0,0,0,0|2,0,0]=3 894 B11R1.17 O=c1[nH]ccnc1NCCO 1882fd7eba673267a3c1a78427969452 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.17 O=c1[nH]nccc1NCCO d948b8aedc2f71f7ff1be5eddb426c5a [0,1,0,0,0,0|3,0,0]=4 896 B11R1.17 O=c1cc[nH]cc1NCCBr b21f072428f3844951c01e2b7420f6fa [0,1,0,0,0,0|3,0,0]=4 897 B11R1.17 O=c1cc[nH]cc1NCCF edb594fed4157aa669f6d9edb910bec9 [0,1,0,0,0,0|3,0,0]=4 898 B11R1.17 O=c1cc[nH]cc1NCCI 185acc43a934a5aa60c60e96775ed794 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.17 O=c1cc[nH]cc1NCCO 458d9a72e8a917a80d0959ca46d24b10 [0,1,0,0,0,0|2,0,0]=3 900 B11R1.17 O=c1cc[nH]cc1NCCS 410cc702122dafcd9cc09c5a7dc2466a [0,1,0,0,0,0|2,1,0]=4 901 B11R1.17 O=c1ccccn1OCCF a0c6469a20bd164c77d4de949b1626f2 [0,1,0,0,0,0|3,0,0]=4 902 B11R1.17 O=c1ccccn1OCCS 94aceba458f7f8b10ba92128e53ea5b0 [0,1,0,0,0,0|2,1,0]=4 903 B11R1.17 O=c1ccocc1OCCF 7fe0dfacbe7c1cb03d931ab01d53486f [0,1,0,0,0,0|3,0,0]=4 904 B11R1.17 O=c1ccocc1OCCS 2dfa31c4bc145e8ea1a42acb0797d26e [0,1,0,0,0,0|2,1,0]=4 905 B11R1.17 O=c1nc[nH]cc1NCCO 30b17437fa64233b5ccbc09183c864da [0,1,0,0,0,0|3,0,0]=4 906 B11R1.17 O=c1occcc1OCCF 5d52444e32230fbe409f56dad63e15bd [0,1,0,0,0,0|3,0,0]=4 907 B11R1.17 O=c1occcc1OCCS b90b7c2f14def1ce9aeb2d5c2e9a2180 [0,1,0,0,0,0|2,1,0]=4 908 B11R1.17 OCCNc1c[nH]ccc1=S 5f1ade7dda9e1b5f565201b95b73f1fb [0,1,0,0,0,0|2,0,0]=3 909 B11R1.17 OCCNc1ccc[nH]c1=S b18b5b8249c6732cb3b93d7dc4d173d9 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.17 OCCNc1ccccc1Cl 7e00c321a95d99f226af9355a5b8fd97 [0,1,0,0,0,0|1,0,0]=2 911 B11R1.17 OCCNc1ccccc1F 4c6208b79575fb1b4efb9bc595ec7419 [0,1,0,0,0,0|1,0,0]=2 912 B11R1.17 OCCNc1ccccc1I 7422a69e1fe9722f423454637884bff2 [0,1,0,0,0,0|1,0,0]=2 913 B11R1.17 OCCNc1ccccc1S 987e6c2de89f4ccfc6bc2df488fb2f56 [0,1,0,0,0,0|1,0,0]=2 914 B11R1.17 OCCNc1cccnc1Br 632fae30d029a1c8ef0a9e6f61a983a9 [0,1,0,0,0,0|2,0,0]=3 915 B11R1.17 OCCNc1cccnc1Cl 4e43b583e8ff101b60a4e7e9502f1ee3 [0,1,0,0,0,0|2,0,0]=3 916 B11R1.17 OCCNc1cccnc1F 491a8db0e71e9cf9b49f5b0b7b046e39 [0,1,0,0,0,0|2,0,0]=3 917 B11R1.17 OCCNc1cccnc1I 7a6f746233f4e6bd5fec2cf961b376a4 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.17 OCCNc1ccn[nH]c1=S 142a9a64eeec283417efa41b7bb92846 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.17 OCCNc1ccncc1Br 2211ba876dd3a8159d70bed4d722d56b [0,1,0,0,0,0|2,0,0]=3 920 B11R1.17 OCCNc1ccncc1Cl 60c6f2518e071d1ae0e5a82422510783 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.17 OCCNc1ccncc1F ef4e40a51c04130c9155c74dbf9133e9 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.17 OCCNc1ccncc1I a2a0550d234a33f36a2beb202155df7a [0,1,0,0,0,0|2,0,0]=3 923 B11R1.17 OCCNc1ccnnc1Br 798cdd27e92d36220fac1543df011285 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.17 OCCNc1ccnnc1Cl 03f9a216b270cb42b84fce40345f50d4 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.17 OCCNc1cnccc1Br 17bda48140229f336d0cc327d867300f [0,1,0,0,0,0|2,0,0]=3 926 B11R1.17 OCCNc1cnccc1Cl 2d5ffbe6dc64de930d7f8c5236e689bb [0,1,0,0,0,0|2,0,0]=3 927 B11R1.17 OCCNc1cnccc1F 12bb173d1fe6407e66aaac0e9d6e0b91 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.17 OCCNc1cnccc1I 86596fa8ff18bc6049ebc8196c621ea7 [0,1,0,0,0,0|2,0,0]=3 929 B11R1.17 OCCNc1cncnc1Br 8cea0fad48f010c05718152d4642b9a9 [0,1,0,0,0,0|3,0,0]=4 930 B11R1.17 OCCNc1cncnc1Cl 4b56a0132e0b2075774fb068242c6866 [0,1,0,0,0,0|3,0,0]=4 931 B11R1.17 OCCNc1cnncc1Br 149af521043607014487f9ac618ea4aa [0,1,0,0,0,0|3,0,0]=4 932 B11R1.17 OCCNc1cnncc1Cl 0ee77458441b925cefd473b5609bb41e [0,1,0,0,0,0|3,0,0]=4 933 B11R1.17 OCCNc1ncccc1Br 0548355e3244a92d79969bfcd2d73738 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.17 OCCNc1ncccc1Cl fb24191d2ae955de5523cbc99ed0e194 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.17 OCCNc1ncccc1F d121ec624e5ab5f9b9966d8d8f14f0d4 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.17 OCCNc1ncccc1I 572fad78fee75cd5b25db51cecd6f336 [0,1,0,0,0,0|2,0,0]=3 937 B11R1.17 OCCNc1nccnc1Br 0455803b690a11861704b627f2353598 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.17 OCCNc1nccnc1Cl 18f94bea143288632f56cac0e4c600b7 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.17 OCCNc1nccnc1I bdec6eb3ba7717537d84202488b38217 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.17 OCCNc1ncncc1Br bc8ede54c4de68ffd6dbba0c59542186 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.17 OCCNc1ncncc1Cl 6d126eae993ed6f41ea8df8159510c03 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.17 OCCNc1ncncc1F 7ce1e43008b8f38deab630afa1d5aa52 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.17 OCCNc1ncncc1I 7c5f1739c59467897979e84e7b620cc0 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.17 OCNCc1ccccc1Br 0209dca586483b54ccb56f7ccd9012ce [0,1,0,0,0,0|1,0,0]=2 945 B11R1.17 OCNCc1ccccc1Cl 5475d2d62064a77dd3e8f040ca795a73 [0,1,0,0,0,0|1,0,0]=2 946 B11R1.17 OCNCc1ccccc1F a78f02dd794e5b9637da439e4010cc0a [0,1,0,0,0,0|1,0,0]=2 947 B11R1.17 OCNCc1ccccc1I 6ad26aea5b9fc20136e87fd70971bc76 [0,1,0,0,0,0|1,0,0]=2 948 B11R1.17 OCNCc1cccnc1Br fa04fbdfe2ab7ab585c87e8888997fde [0,1,0,0,0,0|2,0,0]=3 949 B11R1.17 OCNCc1cccnc1Cl e098226076d1bf05b07c0db61b1608b0 [0,1,0,0,0,0|2,0,0]=3 950 B11R1.17 OCNCc1cccnc1F becc02815a15c17406558b70fdb845a8 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.17 OCNCc1ccncc1Br 217383617b17a78941bd521a0c40dae7 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.17 OCNCc1ccncc1Cl 6d17554379bde9c33e92fb7fd7d0b9f9 [0,1,0,0,0,0|2,0,0]=3 953 B11R1.17 OCNCc1ccncc1F aa8afb20a67cbc48484f103b5e2b4346 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.17 OCNCc1ncccc1Br b3063f47e1ec26ad2317599d840e6a3f [0,1,0,0,0,0|2,0,0]=3 955 B11R1.17 OCNCc1ncccc1Cl 00c0e4e1c0f5be5f03ce1610dfdfc900 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.17 OCNCc1ncccc1F 3eb4781c927959737348d1749c1cc471 [0,1,0,0,0,0|2,0,0]=3 957 B11R1.17 OCNCc1nccnc1Cl 7234e46201f4bc12b5f2f81c58b16ce3 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.17 S=c1[nH]cccc1NCCS 65a202a79821b339662f64e72c32b8f1 [0,1,0,0,0,0|2,1,0]=4 959 B11R1.17 S=c1[nH]cccc1OCCS 0691846ce75b07ecd3a9d46883a8668f [0,1,0,0,0,0|2,1,0]=4 960 B11R1.17 S=c1cc[nH]cc1NCCBr 319a1b9490331902894b63a6c59aba0f [0,1,0,0,0,0|3,0,0]=4 961 B11R1.17 S=c1cc[nH]cc1NCCI 71c8cc22850f6b052257e75002f6c031 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.17 S=c1ccccn1OCCS eac7b5b8b7a007763e651f7483216883 [0,1,0,0,0,0|2,1,0]=4 963 B11R1.17 SCCNc1ccccc1Cl 8eb275d5fd7aa75f04843d2c9b15e888 [0,1,0,0,0,0|1,1,0]=3 964 B11R1.17 SCCNc1ccccc1I 7aa64189a44cf315624ec283017501ec [0,1,0,0,0,0|1,1,0]=3 965 B11R1.17 SCCNc1ccccc1S 7f3f9d44512381b1f5e117db6c186831 [0,1,0,0,0,0|1,1,0]=3 966 B11R1.17 SCCNc1cccnc1Br dcccec22908ef7c2db567261104f1856 [0,1,0,0,0,0|2,1,0]=4 967 B11R1.17 SCCNc1cccnc1Cl b33289674cab9896dbeae7af0521c44f [0,1,0,0,0,0|2,1,0]=4 968 B11R1.17 SCCNc1cccnc1I 2bef228ae204b99fe1799b7dbf602c8e [0,1,0,0,0,0|2,1,0]=4 969 B11R1.17 SCCNc1ccncc1Br e6033df051db529b51dc21b20a664035 [0,1,0,0,0,0|2,1,0]=4 970 B11R1.17 SCCNc1ccncc1Cl 10365e5b3344851aaf86b45cb13b2279 [0,1,0,0,0,0|2,1,0]=4 971 B11R1.17 SCCNc1ccncc1I f6cdb232bb2fe049dde50710fdccf076 [0,1,0,0,0,0|2,1,0]=4 972 B11R1.17 SCCNc1cnccc1Br e85a725cf85ac732853007e02b2b57d1 [0,1,0,0,0,0|2,1,0]=4 973 B11R1.17 SCCNc1cnccc1Cl 7281d93164365854e992f6e1acaa9618 [0,1,0,0,0,0|2,1,0]=4 974 B11R1.17 SCCNc1cnccc1I 96b601ca1720af4e5550a43cbeccf101 [0,1,0,0,0,0|2,1,0]=4 975 B11R1.17 SCCNc1cnccc1S 7e67d71300613c86ebb0b98464c7fc65 [0,1,0,0,0,0|2,1,0]=4 976 B11R1.17 SCCNc1ncccc1Br 135bf1d3e459f6f3c2569b05a8344c15 [0,1,0,0,0,0|2,1,0]=4 977 B11R1.17 SCCNc1ncccc1Cl aa9b8d08c723bb582a74b13ea2051472 [0,1,0,0,0,0|2,1,0]=4 978 B11R1.17 SCCNc1ncccc1I 4b44737c1e22ea84172cdb9e911d1121 [0,1,0,0,0,0|2,1,0]=4 979 B11R1.17 SCCOc1ccccc1Br 2c9be4111e88e1cef97e0afbaa43f88c [0,1,0,0,0,0|1,1,0]=3 980 B11R1.17 SCCOc1ccccc1Cl 3c48aa6ff52eb58ee2e3c87740c748bd [0,1,0,0,0,0|1,1,0]=3 981 B11R1.17 SCCOc1ccccc1I 5f761222ba044a2385a944adcc40619f [0,1,0,0,0,0|1,1,0]=3 982 B11R1.17 SCCOc1ccccc1S 761c20209c9eb8a0b566991b5c1ab081 [0,1,0,0,0,0|1,1,0]=3 983 B11R1.17 SCCOc1cccnc1Br 909c74256088f1ade1d50640398b4ccb [0,1,0,0,0,0|2,1,0]=4 984 B11R1.17 SCCOc1cccnc1Cl 9452bc2a006ba7b27a4ac4bbe076315b [0,1,0,0,0,0|2,1,0]=4 985 B11R1.17 SCCOc1cccnc1I cbed51ddf796c9daae951db5c2667aa7 [0,1,0,0,0,0|2,1,0]=4 986 B11R1.17 SCCOc1ccncc1Br e2f955d0b2d0f28de930a30f378271e0 [0,1,0,0,0,0|2,1,0]=4 987 B11R1.17 SCCOc1ccncc1Cl a2a02feccd87d26fd5dd3850cb02536c [0,1,0,0,0,0|2,1,0]=4 988 B11R1.17 SCCOc1cnccc1Br 45a92d09afa15dddacaca4a8306b1ec9 [0,1,0,0,0,0|2,1,0]=4 989 B11R1.17 SCCOc1cnccc1Cl b63351c69b4eec96119fa111a3e25ec2 [0,1,0,0,0,0|2,1,0]=4 990 B11R1.17 SCCOc1cnccc1I 346daf914569fef4dcd8bb72ac771f10 [0,1,0,0,0,0|2,1,0]=4 991 B11R1.17 SCCOc1ncccc1Br 8ab4de38b0b67f701e532bd12c42d047 [0,1,0,0,0,0|2,1,0]=4 992 B11R1.17 SCCOc1ncccc1Cl 7d9745e73c486bc18a5304973ca312b5 [0,1,0,0,0,0|2,1,0]=4 993 B11R1.17 [O-][n+]1ccccc1CNCF 156c085b6b5ea52ca353ac2924449985 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.17 [O-][n+]1ccccc1CNCO f44a10283482acb4e38bb9f793c09558 [0,1,0,0,0,0|2,0,0]=3 995 B11R1.17 [O-][n+]1ccccc1NCCBr f729b001336c1b5b25c1ebce4b8d04d6 [0,1,0,0,0,0|3,0,0]=4 996 B11R1.17 [O-][n+]1ccccc1NCCF 006cb2fd055031da60713adc6dbb34cb [0,1,0,0,0,0|3,0,0]=4 997 B11R1.17 [O-][n+]1ccccc1NCCI 799b68666186b727bd8b6db666954ffb [0,1,0,0,0,0|3,0,0]=4 998 B11R1.17 [O-][n+]1ccccc1NCCO 22efb9f86d8049f196573cec9343adc3 [0,1,0,0,0,0|2,0,0]=3 999 B11R1.17 [O-][n+]1ccccc1NCCS 149f631fbff5c5296a966b8dccc2a70f [0,1,0,0,0,0|2,1,0]=4 1000 B11R1.17 [O-][n+]1ccccc1OCCF 0d0d57521d327e630fd8a764b53e321c [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.17 [O-][n+]1ccccc1OCCS 3793fdf9defbc3c2cd760fb5d51571ee [0,1,0,0,0,0|2,1,0]=4 1002 B11R1.24 C#CCNc1cccc(c1)Br d2a4670ce250ffbfd688bbc982a880ef [0,1,0,0,0,0|2,0,1]=4 1003 B11R1.24 C#CCNc1cccc(c1)C e7027c400981d7bbfab2d045fc37e9b5 [0,1,0,0,0,0|2,0,1]=4 1004 B11R1.24 C#CCNc1cccc(c1)Cl e7263d15270025454d133c91c3cd5f0f [0,1,0,0,0,0|2,0,1]=4 1005 B11R1.24 C#CCNc1cccc(c1)F 2742d7fbd0835bf46ab9f4069963f89e [0,1,0,0,0,0|2,0,1]=4 1006 B11R1.24 C#CCNc1cccc(c1)I 920d0df8863c0fa3244e218a75d260d1 [0,1,0,0,0,0|2,0,1]=4 1007 B11R1.24 C#CCNc1cccc(c1)S c764683455bc65c5163ff65df5cc1fd7 [0,1,0,0,0,0|2,0,1]=4 1008 B11R1.24 C#CCOc1cccc(c1)Br ca9b009a729c2d0dd0c971888cf53a1b [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.24 C#CCOc1cccc(c1)C cfe81545eea8bc92d2ee3eba48341718 [0,1,0,0,0,0|2,0,1]=4 1010 B11R1.24 C#CCOc1cccc(c1)Cl f73027e9f1c367cb0115375202f8314f [0,1,0,0,0,0|2,0,1]=4 1011 B11R1.24 C#CCOc1cccc(c1)F 959a46f7a97b7964e19e67a487891766 [0,1,0,0,0,0|2,0,1]=4 1012 B11R1.24 C#CCOc1cccc(c1)I 96b8d71693eaf0d1470ed291cc67d6a3 [0,1,0,0,0,0|2,0,1]=4 1013 B11R1.24 C#CCOc1cccc(c1)S 65e8fcaa6d65048376ab1a333e595d4c [0,1,0,0,0,0|2,0,1]=4 1014 B11R1.24 C=CCNc1cccc(c1)Br e88457b009a20ef59a7a587614381b8a [0,1,0,0,0,0|2,0,1]=4 1015 B11R1.24 C=CCNc1cccc(c1)C 173e403cf0963a6de904610bdd677509 [0,1,0,0,0,0|2,0,1]=4 1016 B11R1.24 C=CCNc1cccc(c1)Cl 478faf611e1d401d4739789e412edbef [0,1,0,0,0,0|2,0,1]=4 1017 B11R1.24 C=CCNc1cccc(c1)F 09b1dd8b29d882dc694ee0480dbe08d4 [0,1,0,0,0,0|2,0,1]=4 1018 B11R1.24 C=CCNc1cccc(c1)I f9c2d517897ff770f0829daa3bac406b [0,1,0,0,0,0|2,0,1]=4 1019 B11R1.24 C=CCNc1cccc(c1)S 0c5293e57a4ff3f1cf6663eb1f579c54 [0,1,0,0,0,0|2,0,1]=4 1020 B11R1.24 C=CCOc1cccc(c1)Br 61bb7467f5678fb4d22531fde2b7bac2 [0,1,0,0,0,0|2,0,1]=4 1021 B11R1.24 C=CCOc1cccc(c1)C e1142b28e80a4fc87fd34559eb6a5af1 [0,1,0,0,0,0|2,0,1]=4 1022 B11R1.24 C=CCOc1cccc(c1)Cl 20a8ac3721d688aec32b1c0cd20791a2 [0,1,0,0,0,0|2,0,1]=4 1023 B11R1.24 C=CCOc1cccc(c1)F feac3cecfe64810be06d5c97110e678e [0,1,0,0,0,0|2,0,1]=4 1024 B11R1.24 C=CCOc1cccc(c1)I 1fa859eee5f94d20126ffa324117096f [0,1,0,0,0,0|2,0,1]=4 1025 B11R1.24 C=CCOc1cccc(c1)S 223b3d93daa0fc6e2932a71f68fac7ff [0,1,0,0,0,0|2,0,1]=4 1026 B11R1.24 CCCNc1cc(ccn1)Br f1c13a780ea072a97f4918a3ae5fe793 [0,1,0,0,0,0|3,0,0]=4 1027 B11R1.24 CCCNc1cc(ccn1)C 9dd4b3ccbbc29296234e9ff62794f94d [0,1,0,0,0,0|3,0,0]=4 1028 B11R1.24 CCCNc1cc(ccn1)Cl e2748ea47500b5c43ad80436ec365351 [0,1,0,0,0,0|3,0,0]=4 1029 B11R1.24 CCCNc1cc(ccn1)F 19627d65edc699fb72ffad9630193c09 [0,1,0,0,0,0|3,0,0]=4 1030 B11R1.24 CCCNc1cc(ccn1)I 84f5d93869eede5ea29829b3c07bd844 [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.24 CCCNc1cc[nH]c(=S)c1 360300b5400595cc8e7a69cc96fcab9d [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.24 CCCNc1cccc(c1)Br acb1f2bb5e7b1b5520f3f6cb5aa22aaf [0,1,0,0,0,0|2,0,0]=3 1033 B11R1.24 CCCNc1cccc(c1)C e421761759f1c746a8f404b8a3a2f9e1 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.24 CCCNc1cccc(c1)Cl 5f3ddf9c366c2329c81257ae31beedbd [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.24 CCCNc1cccc(c1)F ea1b244e71e5a96c27eaf1a47c4045c2 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.24 CCCNc1cccc(c1)I 25b73dbb892b7f389897d5a43a220453 [0,1,0,0,0,0|2,0,0]=3 1037 B11R1.24 CCCNc1cccc(c1)S 225c14a2af7bde79a1ce2cf37e4d273b [0,1,0,0,0,0|2,0,0]=3 1038 B11R1.24 CCCNc1cccc(n1)Br 922806381eb036239ce652ef71179a3c [0,1,0,0,0,0|3,0,0]=4 1039 B11R1.24 CCCNc1cccc(n1)C ac360e9e258569f548399e28fa3180d8 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.24 CCCNc1cccc(n1)Cl dce45d6f17ac605453290d833800c971 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.24 CCCNc1cccc(n1)F 6c39e109efcbcaf4d3a5d07f4418f5de [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.24 CCCNc1cccc(n1)I 257cf609e45e5409e5f7885d77dcd130 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.24 CCCNc1ccnc(c1)Br b90db3b5c651f3912bd587d5844c555e [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.24 CCCNc1ccnc(c1)C b66f498b52f5cbd7e72f509e0a6f41be [0,1,0,0,0,0|3,0,0]=4 1045 B11R1.24 CCCNc1ccnc(c1)Cl 72efba47fe28dc78535cf0d2b78b85d7 [0,1,0,0,0,0|3,0,0]=4 1046 B11R1.24 CCCNc1ccnc(c1)F e126bb77c767f16e4a7cb3dc41a6ccca [0,1,0,0,0,0|3,0,0]=4 1047 B11R1.24 CCCNc1ccnc(c1)I 9604ffc88e9cb615da6af887aba38dd5 [0,1,0,0,0,0|3,0,0]=4 1048 B11R1.24 CCCNc1cncc(c1)Br df91207309bb098127db46b0c6c28373 [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.24 CCCNc1cncc(c1)C 17cc7df963debf4f8ee3c67f6dbccd63 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.24 CCCNc1cncc(c1)Cl 0c2e6062e8edca14a7c30617675a1f46 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.24 CCCNc1cncc(c1)F ee0c8e82c86888a5308b2d5ae8e4dc3e [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.24 CCCNc1cncc(c1)I 6d9481f5c9f1d1a015a6a7e6ac1b7f83 [0,1,0,0,0,0|3,0,0]=4 1053 B11R1.24 CCCOc1cc(ccn1)Br 733fbc0062452a6d408b5de5a71ee204 [0,1,0,0,0,0|3,0,0]=4 1054 B11R1.24 CCCOc1cc(ccn1)C e0a5b7a4ceaf137253b09aaa74d8a523 [0,1,0,0,0,0|3,0,0]=4 1055 B11R1.24 CCCOc1cc(ccn1)Cl 9bec7845ed0cc2ec4528299e79a75327 [0,1,0,0,0,0|3,0,0]=4 1056 B11R1.24 CCCOc1cc(ccn1)F 0dc309ef3e091b80292d2495314d3e88 [0,1,0,0,0,0|3,0,0]=4 1057 B11R1.24 CCCOc1ccc[n+](c1)[O-] 68ae6157371b1d08945de942e24dbfcb [0,1,0,0,0,0|3,0,0]=4 1058 B11R1.24 CCCOc1cccc(=O)[nH]1 5737faf370dd02b121376f36c61aae8a [0,1,0,0,0,0|3,0,0]=4 1059 B11R1.24 CCCOc1cccc(c1)Br a13e2d3b97569660f2094ead5808f8a1 [0,1,0,0,0,0|2,0,0]=3 1060 B11R1.24 CCCOc1cccc(c1)C d7061e70aaece534ca2df7008d458f1f [0,1,0,0,0,0|2,0,0]=3 1061 B11R1.24 CCCOc1cccc(c1)Cl dd576836e51eec77f1708e34dc442061 [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.24 CCCOc1cccc(c1)F cef2c69d3852855819ee350cb218d7bc [0,1,0,0,0,0|2,0,0]=3 1063 B11R1.24 CCCOc1cccc(c1)I 5e7b3431fe9595b36463e1f6c0c6091a [0,1,0,0,0,0|2,0,0]=3 1064 B11R1.24 CCCOc1cccc(c1)S 9cc4d5ce9f1a372f0235b118438f64df [0,1,0,0,0,0|2,0,0]=3 1065 B11R1.24 CCCOc1cccc(n1)Br a9055c800f7a8bea8f5823944b85de73 [0,1,0,0,0,0|3,0,0]=4 1066 B11R1.24 CCCOc1cccc(n1)C 39c146d9d455282915fb415280d9321f [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.24 CCCOc1cccc(n1)F 64f38a887ca7a2ad9537d774a3104a70 [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.24 CCCOc1ccnc(c1)Br 08e99557792cbfff2d46d9cecbba3e9e [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.24 CCCOc1ccnc(c1)C fb2ea1b15a9dd2b3d4e9dfb65ec1523f [0,1,0,0,0,0|3,0,0]=4 1070 B11R1.24 CCCOc1ccnc(c1)Cl 52dcc4688b93657011ed58be18dc1a12 [0,1,0,0,0,0|3,0,0]=4 1071 B11R1.24 CCCOc1ccnc(c1)F 35f6013f4437d8100afe1dae43133855 [0,1,0,0,0,0|3,0,0]=4 1072 B11R1.24 CCCOc1cncc(c1)Br 6b4e60f933e3d32ce41374eabb594281 [0,1,0,0,0,0|3,0,0]=4 1073 B11R1.24 CCCOc1cncc(c1)C d5edc0e29a183d0a30f574eab2102c23 [0,1,0,0,0,0|3,0,0]=4 1074 B11R1.24 CCCOc1cncc(c1)Cl adace2f1506c9567632091a7287ad895 [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.24 CCCOc1cncc(c1)F 304c595ae441bc7dd304adfb8c15aedf [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.24 CCCOc1cncc(c1)I 4ab44cea02f047116b93f5e680e20338 [0,1,0,0,0,0|3,0,0]=4 1077 B11R1.24 CCNCc1cc(ccn1)Br e896276c8fa14cddbcb38ebcdac27e5d [0,1,0,0,0,0|3,0,0]=4 1078 B11R1.24 CCNCc1cc(ccn1)C 774f66d8e453a57270dc32842d55134b [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.24 CCNCc1cc(ccn1)Cl 5028728b9ac7ebc1c9518284f0807fbd [0,1,0,0,0,0|3,0,0]=4 1080 B11R1.24 CCNCc1cc[nH]c(=O)c1 822b19063e584d1569bd185314da610c [0,1,0,0,0,0|3,0,0]=4 1081 B11R1.24 CCNCc1ccc[n+](c1)[O-] cecacd94085945062f1860b53e5dce46 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.24 CCNCc1cccc(c1)Br 7cc097aea1efe8376684166a5d7a74a3 [0,1,0,0,0,0|2,0,0]=3 1083 B11R1.24 CCNCc1cccc(c1)C 8711965bd65b9b9cae0b5574aaf9df19 [0,1,0,0,0,0|2,0,0]=3 1084 B11R1.24 CCNCc1cccc(c1)Cl 35f4a4fcd3415e84e248be1142a75e6e [0,1,0,0,0,0|2,0,0]=3 1085 B11R1.24 CCNCc1cccc(c1)F a045945dd7664750cd4517426a30ddec [0,1,0,0,0,0|2,0,0]=3 1086 B11R1.24 CCNCc1cccc(c1)I a0250fe998532bc25a8c10c3d959951b [0,1,0,0,0,0|2,0,0]=3 1087 B11R1.24 CCNCc1cccc(n1)Br c978bb899b1e5a401c33708277506b25 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.24 CCNCc1cccc(n1)C 152e97bb6eb9a6a331f50dff3115da53 [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.24 CCNCc1cccc(n1)Cl 1bd8ce8886953bed1784a34d49705dec [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.24 CCNCc1cccc(n1)F 6624bbae6e7a27ced67aeeba1b15f696 [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.24 CCNCc1ccnc(c1)Br dcddfd2d86118276109741fc7cde9cb6 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.24 CCNCc1ccnc(c1)C 7d2184712237385ae4b34f01a3fd0b0c [0,1,0,0,0,0|3,0,0]=4 1093 B11R1.24 CCNCc1ccnc(c1)Cl 45b9b38e5dbeec1d363a87b7cf99e249 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.24 CCNCc1ccnc(c1)F 52858d7d1efd604efa0a0172f4639a18 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.24 CCNCc1cncc(c1)Br 53d212050b12d7981e083ad8ce2cf307 [0,1,0,0,0,0|3,0,0]=4 1096 B11R1.24 CCNCc1cncc(c1)C a8be4d48927f0aa569ae65469d8564f6 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.24 CCNCc1cncc(c1)Cl c844100d4e6cc69aa1cd866fcfd7b483 [0,1,0,0,0,0|3,0,0]=4 1098 B11R1.24 CCNCc1cncc(c1)F c98b0bf2a9946ab8a72db48c349e2252 [0,1,0,0,0,0|3,0,0]=4 1099 B11R1.24 CCOCc1cc(ccn1)Br 0726b8a141caded4ec904623fca2ab22 [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.24 CCOCc1cc(ccn1)C 2d5b6d2e2d714975e85774b9da739956 [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.24 CCOCc1cc(ccn1)Cl 158638af681bb2c0924168dfb0c4809a [0,1,0,0,0,0|3,0,0]=4 1102 B11R1.24 CCOCc1cc(ccn1)F a0a517bf4ebe3f482da9efb1f014fd4e [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.24 CCOCc1cc(ccn1)I 52a26a3ba97e706ba155b551bf3cce2f [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.24 CCOCc1cc[nH]c(=O)c1 6c337d7db6361773b01fc7c16459aa70 [0,1,0,0,0,0|3,0,0]=4 1105 B11R1.24 CCOCc1ccc[n+](c1)[O-] a8e2d16f1a35335eb42973ab1ece394f [0,1,0,0,0,0|3,0,0]=4 1106 B11R1.24 CCOCc1cccc(c1)Br 68ab38873ddd37fd78370dbba526e703 [0,1,0,0,0,0|2,0,0]=3 1107 B11R1.24 CCOCc1cccc(c1)C a074366dc5260a76a26e1b3a17ce68f7 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.24 CCOCc1cccc(c1)Cl 8933445146c771b808a03b867c201e1e [0,1,0,0,0,0|2,0,0]=3 1109 B11R1.24 CCOCc1cccc(c1)F 01b8eda252200f38637020bb494cc211 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.24 CCOCc1cccc(c1)I ee21a715b45c835bc7170e7ff62f202c [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.24 CCOCc1cccc(n1)Br 90a68360acfece20f90108990bcd1149 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.24 CCOCc1cccc(n1)C 28a36ef1d20cbd44690d599ab87bdc5f [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.24 CCOCc1cccc(n1)Cl 82ebf630bd981fc4893dc75cb0bef897 [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.24 CCOCc1cccc(n1)F 2089888f25135651426c37a52be6c99b [0,1,0,0,0,0|3,0,0]=4 1115 B11R1.24 CCOCc1cccc(n1)I fe037eb715fee04a280f82d502bd179d [0,1,0,0,0,0|3,0,0]=4 1116 B11R1.24 CCOCc1ccnc(c1)Br 522343afd8b5d1bc5fe8f5b5480e00d3 [0,1,0,0,0,0|3,0,0]=4 1117 B11R1.24 CCOCc1ccnc(c1)C d26a680f89e28ac8a7fa03bb8fe9903c [0,1,0,0,0,0|3,0,0]=4 1118 B11R1.24 CCOCc1ccnc(c1)Cl e39e3a3a4987b51bf255ed0ef5aa72f6 [0,1,0,0,0,0|3,0,0]=4 1119 B11R1.24 CCOCc1ccnc(c1)F b98f40a0d3b636a9028eda0ac3b5ab69 [0,1,0,0,0,0|3,0,0]=4 1120 B11R1.24 CCOCc1cncc(c1)C 121fa46d697e1516e023ead6822cc1d1 [0,1,0,0,0,0|3,0,0]=4 1121 B11R1.24 CCOCc1cncc(c1)Cl 1e91e3fbb4e3d0c3d9fd920c89ee7a2b [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.24 CCOCc1cncc(c1)F eb720cd1e153d372dc09203bc199f583 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.24 CCOCc1cncc(c1)I c0a034a0c75135b9cb15b78e0a4a7802 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.24 COCNc1cccc(c1)Br 54ab518230cb656eb7b0f706a3b2523d [0,1,0,0,0,0|3,0,0]=4 1125 B11R1.24 COCNc1cccc(c1)C e40cafddbc69f7d986c84fd2fd7b2e65 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.24 COCNc1cccc(c1)Cl 5fec63d5af13dc5d09181347c67375b7 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.24 COCNc1cccc(c1)F a32f433ac1e292f556ca8a506f48aba3 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.24 COCNc1cccc(c1)I 5e0a4810bcf60771391fa32e6e53c7f0 [0,1,0,0,0,0|3,0,0]=4 1129 B11R1.24 COCNc1cccc(c1)S 7a5e42ef93f395ab2ea451d763121924 [0,1,0,0,0,0|3,0,0]=4 1130 B11R1.24 COCOc1cccc(c1)Br 2a6abf33039da8d6a127bf06afc59684 [0,1,0,0,0,0|3,0,0]=4 1131 B11R1.24 COCOc1cccc(c1)C 7f6034c6ce7e0cf435553f03c34eb3b4 [0,1,0,0,0,0|3,0,0]=4 1132 B11R1.24 COCOc1cccc(c1)Cl 48ebca3e91d1b94d31eb01f0ebd1d5f5 [0,1,0,0,0,0|3,0,0]=4 1133 B11R1.24 COCOc1cccc(c1)F 57852b600c5c4949aa6afcf99594de8a [0,1,0,0,0,0|3,0,0]=4 1134 B11R1.24 COCOc1cccc(c1)I dc0a1558ee1d114659f7cd3e8038db45 [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.24 COCOc1cccc(c1)S 41f2d43a0582d926af82f7cd52bdead1 [0,1,0,0,0,0|3,0,0]=4 1136 B11R1.24 CSCNc1cccc(c1)Br 29a70d1c57b2a6862900b92143c88670 [0,1,0,0,0,0|3,0,0]=4 1137 B11R1.24 CSCNc1cccc(c1)C c0825a11246fc57479dbaf679e542a1e [0,1,0,0,0,0|3,0,0]=4 1138 B11R1.24 CSCNc1cccc(c1)Cl f4c5ef06861d0e83dfcececc5dd6c4c5 [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.24 CSCNc1cccc(c1)F 5fd25ec6b3de63445bbe39f47d6bd6b1 [0,1,0,0,0,0|3,0,0]=4 1140 B11R1.24 CSCNc1cccc(c1)I 6760b1b4a0cbda7b058b59cca3341fc5 [0,1,0,0,0,0|3,0,0]=4 1141 B11R1.24 CSCNc1cccc(c1)S 82af3cc22613e1ec78dab2837f1b662e [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.24 CSCOc1cccc(c1)Br 2fc2decfaeed8e2637e59ef79e480e2e [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.24 CSCOc1cccc(c1)C 3bbece07bfd11b6c7fccb7bd794595e6 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.24 CSCOc1cccc(c1)Cl d969539c0fc634f8b06467139de899ee [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.24 CSCOc1cccc(c1)F 9962e38297c29e8aa2aa2e5b5084ce29 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.24 CSCOc1cccc(c1)I f67cf1bee76b71349f1961d39d8971e2 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.24 CSCOc1cccc(c1)S 3789f145b0fcf7ff307990a1edfd11fc [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.24 Cc1cc(ccn1)CNCF 84efdf8898b3954d41c47b5aecfaa510 [0,1,0,0,0,0|3,0,0]=4 1149 B11R1.24 Cc1cc(ccn1)CNCO 220fd9dc96cf7acc9670e8e8f858e714 [0,1,0,0,0,0|2,0,0]=3 1150 B11R1.24 Cc1cc(ccn1)COCF 3d6c010790e9d96177af19abcae2e406 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.24 Cc1cc(ccn1)NCCF c13f3fdecb0cdb6a61678f34d10f98bd [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.24 Cc1cc(ccn1)NCCO 4b5fda830696a55c8dc770d11c7ac6ab [0,1,0,0,0,0|2,0,0]=3 1153 B11R1.24 Cc1cc(ccn1)NCCS 24992d02f4a6e6e5f417047d0c49a1d6 [0,1,0,0,0,0|2,1,0]=4 1154 B11R1.24 Cc1cc(ccn1)OCCF b34f8ae3deb40598cbdf9e83af8cff08 [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.24 Cc1cc(ccn1)OCCS dbd8a64e8f435225d1693abc86fd741b [0,1,0,0,0,0|2,1,0]=4 1156 B11R1.24 Cc1cc(ncn1)NCCO fc64001e0a2607d3cdc24e07472c4a44 [0,1,0,0,0,0|3,0,0]=4 1157 B11R1.24 Cc1cccc(c1)CNC#N afb8590a54656766c7fa3e8613412263 [0,1,0,0,0,0|2,0,1]=4 1158 B11R1.24 Cc1cccc(c1)CNC=O f999de901cc8b568a96ef98318b0e85f [0,1,0,0,0,0|1,0,2]=4 1159 B11R1.24 Cc1cccc(c1)CNCF 26331ce248fc61a15345fc123ac841ae [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.24 Cc1cccc(c1)CNCO d0a6ec7f4afcd99e7d28be3d4dacede0 [0,1,0,0,0,0|1,0,0]=2 1161 B11R1.24 Cc1cccc(c1)COCF 11267dea5d808124a105735821eaa460 [0,1,0,0,0,0|2,0,0]=3 1162 B11R1.24 Cc1cccc(c1)NCC#N 3cba4168a46541a82af34519ff46a560 [0,1,0,0,0,0|2,0,1]=4 1163 B11R1.24 Cc1cccc(c1)NCC=O 02b27afd26a0d485177136f96a1c2349 [0,1,0,0,0,0|1,0,2]=4 1164 B11R1.24 Cc1cccc(c1)NCCBr b97f20affb757b68290bd66ce1b22b5b [0,1,0,0,0,0|2,0,0]=3 1165 B11R1.24 Cc1cccc(c1)NCCF f4aa25c81ffda72c7e085e967a29bd7e [0,1,0,0,0,0|2,0,0]=3 1166 B11R1.24 Cc1cccc(c1)NCCI 1dd161cd96cff309cd4fab79d94b8f2a [0,1,0,0,0,0|2,0,0]=3 1167 B11R1.24 Cc1cccc(c1)NCCO 788520a7b5122ba23efd60ec7af11b62 [0,1,0,0,0,0|1,0,0]=2 1168 B11R1.24 Cc1cccc(c1)NCCS 7b98a9c950cebe1dd8819c5a884e6fc9 [0,1,0,0,0,0|1,1,0]=3 1169 B11R1.24 Cc1cccc(c1)OCC#N 6702af89f3265bb500dd2882d0af8734 [0,1,0,0,0,0|2,0,1]=4 1170 B11R1.24 Cc1cccc(c1)OCC=O d45d2710eb10d050ca7ae3507eaed4d8 [0,1,0,0,0,0|1,0,2]=4 1171 B11R1.24 Cc1cccc(c1)OCCF a1c1a8f8d1b8dd943777980aef0cd973 [0,1,0,0,0,0|2,0,0]=3 1172 B11R1.24 Cc1cccc(c1)OCCS c6d124754d0867f0c038fb362a7e43c1 [0,1,0,0,0,0|1,1,0]=3 1173 B11R1.24 Cc1cccc(n1)CNCF 05a62d73686ee79fd8505033ca49baa7 [0,1,0,0,0,0|3,0,0]=4 1174 B11R1.24 Cc1cccc(n1)CNCO fe42a0006039c5b282c8b0832528d029 [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.24 Cc1cccc(n1)COCF df2174f806dfe5ac9f4371901df5434b [0,1,0,0,0,0|3,0,0]=4 1176 B11R1.24 Cc1cccc(n1)NCCBr 64c88367448c4cdec21276d0c72daabb [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.24 Cc1cccc(n1)NCCF 057f27df2885f14417b191b992ef5401 [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.24 Cc1cccc(n1)NCCO 2f6549d226cf28bd97ca9c8eed2ac2de [0,1,0,0,0,0|2,0,0]=3 1179 B11R1.24 Cc1cccc(n1)NCCS 36bd046d2ddd5baddbc13ebc7f5b847d [0,1,0,0,0,0|2,1,0]=4 1180 B11R1.24 Cc1cccc(n1)OCCF 6ff7ad5de4e9691ad3a4728e4cae7eca [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.24 Cc1cccc(n1)OCCS ed4e7e8c02da60cfbe11eb44fa79978d [0,1,0,0,0,0|2,1,0]=4 1182 B11R1.24 Cc1ccnc(c1)CNCF 99674922aee475568b4d41956b2b0398 [0,1,0,0,0,0|3,0,0]=4 1183 B11R1.24 Cc1ccnc(c1)CNCO 5f13cb4049c3b8923e25988be44c27eb [0,1,0,0,0,0|2,0,0]=3 1184 B11R1.24 Cc1ccnc(c1)COCF fb814cb9dbe25ac108086a6d9f09ab81 [0,1,0,0,0,0|3,0,0]=4 1185 B11R1.24 Cc1ccnc(c1)NCCF 93b1b7389c5f8edd4e3c8efc6039ebca [0,1,0,0,0,0|3,0,0]=4 1186 B11R1.24 Cc1ccnc(c1)NCCO 19d12f5117ef4128697081bba6fe0041 [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.24 Cc1ccnc(c1)NCCS 31c9c0f7334f5c40ed6511187a82a336 [0,1,0,0,0,0|2,1,0]=4 1188 B11R1.24 Cc1ccnc(c1)OCCF a906c88e330094544711df3aa01bfa21 [0,1,0,0,0,0|3,0,0]=4 1189 B11R1.24 Cc1ccnc(c1)OCCS de4cc6ebba4c499e1a74b822748698ad [0,1,0,0,0,0|2,1,0]=4 1190 B11R1.24 Cc1ccnc(n1)CNCO 119421b39a551f6124f343ad9d4602e7 [0,1,0,0,0,0|3,0,0]=4 1191 B11R1.24 Cc1ccnc(n1)NCCO 6bdc0ad255ce1a531995fb2a4f4a3f18 [0,1,0,0,0,0|3,0,0]=4 1192 B11R1.24 Cc1cncc(c1)CNCF 497b59e3731e31af8936bcc0de926608 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.24 Cc1cncc(c1)CNCO 7a4427168da0170ab18b195344f9dc2f [0,1,0,0,0,0|2,0,0]=3 1194 B11R1.24 Cc1cncc(c1)COCF bb9ab2481382a547fd53676fbb0f3d14 [0,1,0,0,0,0|3,0,0]=4 1195 B11R1.24 Cc1cncc(c1)NCCF bae79de15c478282719feb48839f0c16 [0,1,0,0,0,0|3,0,0]=4 1196 B11R1.24 Cc1cncc(c1)NCCO 0669641702644658e91d090c8a779de5 [0,1,0,0,0,0|2,0,0]=3 1197 B11R1.24 Cc1cncc(c1)NCCS ed726e14457f2fb40ab49c813772be54 [0,1,0,0,0,0|2,1,0]=4 1198 B11R1.24 Cc1cncc(c1)OCCF 487ec0ea4376ea5aa7ef06a5308b67c7 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.24 Cc1cncc(c1)OCCS 7187afe15d6a831af57c067642a2e15b [0,1,0,0,0,0|2,1,0]=4 1200 B11R1.24 Cc1cncc(n1)NCCO 47904cdd5e603ab7a46766f0cec85b7a [0,1,0,0,0,0|3,0,0]=4 1201 B11R1.24 Cc1cnnc(c1)NCCO 7192ea6bbfa658ed4c049a7edc4b425a [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.24 Cc1nccc(n1)CNCO 87799b1e4ed63c4e75aa37554ab0e812 [0,1,0,0,0,0|3,0,0]=4 1203 B11R1.24 Cc1nccc(n1)NCCO 738aadfd5bf9a662ece3a86a1b78b50d [0,1,0,0,0,0|3,0,0]=4 1204 B11R1.24 FCCNc1cc(ccn1)Br 4a6b5e8f600aee059826f8f3f9ed428d [0,1,0,0,0,0|3,0,0]=4 1205 B11R1.24 FCCNc1cc(ccn1)Cl 1a96f3295cd74650d91ed41cfc6f5913 [0,1,0,0,0,0|3,0,0]=4 1206 B11R1.24 FCCNc1cc(ccn1)F a0dcfe0b9aad35cf8b290896d64fad58 [0,1,0,0,0,0|3,0,0]=4 1207 B11R1.24 FCCNc1cc(ccn1)I 61fec0d09cf481eeb2f81c0600a9438b [0,1,0,0,0,0|3,0,0]=4 1208 B11R1.24 FCCNc1cc[nH]c(=S)c1 9804ee4322bdee74cd9fa15d36a6295d [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.24 FCCNc1cccc(c1)Br a0d0349e1b2d40b05cc1bfe14bd197ca [0,1,0,0,0,0|2,0,0]=3 1210 B11R1.24 FCCNc1cccc(c1)Cl 9349b62cb412641ee884eb579a3f9bdb [0,1,0,0,0,0|2,0,0]=3 1211 B11R1.24 FCCNc1cccc(c1)F c96c058abaf24744205bd606ad9daa10 [0,1,0,0,0,0|2,0,0]=3 1212 B11R1.24 FCCNc1cccc(c1)I 504a4adcecca797bc0ba40fa19488c7d [0,1,0,0,0,0|2,0,0]=3 1213 B11R1.24 FCCNc1cccc(c1)S aece59adaa14c81c1f80f1dd56827823 [0,1,0,0,0,0|2,0,0]=3 1214 B11R1.24 FCCNc1cccc(n1)Br 4652555585ee3059cabbb95384b822bb [0,1,0,0,0,0|3,0,0]=4 1215 B11R1.24 FCCNc1cccc(n1)Cl d5ce1ccee9a860b61123b8467e52bb73 [0,1,0,0,0,0|3,0,0]=4 1216 B11R1.24 FCCNc1cccc(n1)F 584113863bceda79cd2c0a8005d9da06 [0,1,0,0,0,0|3,0,0]=4 1217 B11R1.24 FCCNc1cccc(n1)I c9fb46fba75fc33312e28dae03af6125 [0,1,0,0,0,0|3,0,0]=4 1218 B11R1.24 FCCNc1ccnc(c1)Br 20f27cef8e94275836e6419ad755848f [0,1,0,0,0,0|3,0,0]=4 1219 B11R1.24 FCCNc1ccnc(c1)Cl e4274e20f1e8b7a5fdf412059b6f30c9 [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.24 FCCNc1ccnc(c1)F 833c2bb9d593af90530c06c0ffaf7b71 [0,1,0,0,0,0|3,0,0]=4 1221 B11R1.24 FCCNc1ccnc(c1)I 5f9b6158774489ec7ac1de6d9adc7d56 [0,1,0,0,0,0|3,0,0]=4 1222 B11R1.24 FCCNc1cncc(c1)Br 47fab46f753f4aab1db3216531026cf4 [0,1,0,0,0,0|3,0,0]=4 1223 B11R1.24 FCCNc1cncc(c1)Cl cd937f7c84ffa51c327e21c50cff57c4 [0,1,0,0,0,0|3,0,0]=4 1224 B11R1.24 FCCNc1cncc(c1)F 074a53e184f8c8dbb89418741e0d6174 [0,1,0,0,0,0|3,0,0]=4 1225 B11R1.24 FCCNc1cncc(c1)I b994b2a5517d3f2424bb6716acf5cea8 [0,1,0,0,0,0|3,0,0]=4 1226 B11R1.24 FCCOc1cc(ccn1)Br f0388fd8ccd4e51ab996757e84efca53 [0,1,0,0,0,0|3,0,0]=4 1227 B11R1.24 FCCOc1cc(ccn1)Cl a4e5aa2a406d2d6aca52aff75a588e2b [0,1,0,0,0,0|3,0,0]=4 1228 B11R1.24 FCCOc1cc(ccn1)F 8e60cd5b586a4a756a2b0e46d46e6ed5 [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.24 FCCOc1cccc(c1)Br dc7f08a58233cf92115127accf5a3b35 [0,1,0,0,0,0|2,0,0]=3 1230 B11R1.24 FCCOc1cccc(c1)Cl c66ffbbe922aa739c018d5aa4816af47 [0,1,0,0,0,0|2,0,0]=3 1231 B11R1.24 FCCOc1cccc(c1)F ce9f0d6a6eed787c7ba2b20b9d6cd5cc [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.24 FCCOc1cccc(c1)I 96f9406b79ce29e6a0cb635643af7fc7 [0,1,0,0,0,0|2,0,0]=3 1233 B11R1.24 FCCOc1cccc(c1)S 5e27e494d241022e1e68313fade9dc4b [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.24 FCCOc1cccc(n1)Br b17f0282e465f2a8b28fcbcc97898d3b [0,1,0,0,0,0|3,0,0]=4 1235 B11R1.24 FCCOc1cccc(n1)F ab36983c6faf1f9ba8588408e34e9670 [0,1,0,0,0,0|3,0,0]=4 1236 B11R1.24 FCCOc1ccnc(c1)Br aceade17744ecab77d6cf2db2e4e35d0 [0,1,0,0,0,0|3,0,0]=4 1237 B11R1.24 FCCOc1ccnc(c1)Cl 9d32cd122cf61247f928b599b2612fff [0,1,0,0,0,0|3,0,0]=4 1238 B11R1.24 FCCOc1ccnc(c1)F c168a4a14f53458110932b93e45ff84e [0,1,0,0,0,0|3,0,0]=4 1239 B11R1.24 FCCOc1cncc(c1)Cl f0ffa8fe7fcf1c15fce0b5f9551e0e3c [0,1,0,0,0,0|3,0,0]=4 1240 B11R1.24 FCCOc1cncc(c1)F 98c01c173a4fa5500bcb3a2ee403ecac [0,1,0,0,0,0|3,0,0]=4 1241 B11R1.24 FCCOc1cncc(c1)I 0c6531991763847d3a3de9c1e935021f [0,1,0,0,0,0|3,0,0]=4 1242 B11R1.24 FCNCc1cc(ccn1)Br be066e882bf44938d20a7f2de2adf4b1 [0,1,0,0,0,0|3,0,0]=4 1243 B11R1.24 FCNCc1cc(ccn1)Cl 23b52ced6e809b15a9df543546ea37f9 [0,1,0,0,0,0|3,0,0]=4 1244 B11R1.24 FCNCc1cccc(c1)Br 7d04e2339b42e8f2d0122b4fdbb3009d [0,1,0,0,0,0|2,0,0]=3 1245 B11R1.24 FCNCc1cccc(c1)Cl e145b682fefd1d3baa7ebff04addc07b [0,1,0,0,0,0|2,0,0]=3 1246 B11R1.24 FCNCc1cccc(c1)F 6e9400ce8cf9ff79d0c0062ec100268a [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.24 FCNCc1cccc(c1)I 3974009fe99bec9ffdffbaebd85438b2 [0,1,0,0,0,0|2,0,0]=3 1248 B11R1.24 FCNCc1cccc(n1)Br 3724f51ba6ff3c96ec420cf7c80df3b2 [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.24 FCNCc1cccc(n1)Cl 2cc2737f4751cf74de00fe93caa32bbe [0,1,0,0,0,0|3,0,0]=4 1250 B11R1.24 FCNCc1cccc(n1)F cbf62c887ad6c7d7b51542c2baa1df38 [0,1,0,0,0,0|3,0,0]=4 1251 B11R1.24 FCNCc1ccnc(c1)Br 0d563e8067f0ae0def5f0c926fbca0ed [0,1,0,0,0,0|3,0,0]=4 1252 B11R1.24 FCNCc1ccnc(c1)Cl 4caf02bd6e83ad06f4ba6848ca783c96 [0,1,0,0,0,0|3,0,0]=4 1253 B11R1.24 FCNCc1ccnc(c1)F 9459e020aee4b094241554b25ae3ed03 [0,1,0,0,0,0|3,0,0]=4 1254 B11R1.24 FCNCc1cncc(c1)Cl d400b3d226bcb954abd28b789b4c2444 [0,1,0,0,0,0|3,0,0]=4 1255 B11R1.24 FCNCc1cncc(c1)F 6ee8b2d0e77354ae5cdba448c2837178 [0,1,0,0,0,0|3,0,0]=4 1256 B11R1.24 FCOCc1cc(ccn1)Br d8c50c7aa4e189977d6212e67cad14b5 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.24 FCOCc1cc(ccn1)Cl ebb5b2b45560791e51ff88c3be572ec9 [0,1,0,0,0,0|3,0,0]=4 1258 B11R1.24 FCOCc1cc(ccn1)F e837cdce786c885abf554cadca310231 [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.24 FCOCc1cc(ccn1)I ba73c671e175eb64519d21c541d97cb5 [0,1,0,0,0,0|3,0,0]=4 1260 B11R1.24 FCOCc1cccc(c1)Br 06fd5492a825faa19dd2b0a6ce53ff70 [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.24 FCOCc1cccc(c1)Cl bc6f623318574bc18fb6d005c3b19654 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.24 FCOCc1cccc(c1)F 54b20c54954574867369722c4db6da9a [0,1,0,0,0,0|2,0,0]=3 1263 B11R1.24 FCOCc1cccc(c1)I 20971ddf8a9eb4748299b05e02229bbd [0,1,0,0,0,0|2,0,0]=3 1264 B11R1.24 FCOCc1cccc(n1)Br f17737ac643dcad7b00e8ca05281c65d [0,1,0,0,0,0|3,0,0]=4 1265 B11R1.24 FCOCc1cccc(n1)Cl 4f842acec6ada03117ebc1f002b9b6b6 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.24 FCOCc1cccc(n1)F 3429b62a2bf417f0315da409f5a6eddf [0,1,0,0,0,0|3,0,0]=4 1267 B11R1.24 FCOCc1cccc(n1)I d9488d4c3679b01456f34c8598cb4c1c [0,1,0,0,0,0|3,0,0]=4 1268 B11R1.24 FCOCc1ccnc(c1)Br 81742734f2573cfd01d75ffe2efacafb [0,1,0,0,0,0|3,0,0]=4 1269 B11R1.24 FCOCc1ccnc(c1)Cl c250902b395c46e91928b9be99997dba [0,1,0,0,0,0|3,0,0]=4 1270 B11R1.24 FCOCc1ccnc(c1)F 0ad7d6e10e5f474ccdaf484bd9915f98 [0,1,0,0,0,0|3,0,0]=4 1271 B11R1.24 FCOCc1cncc(c1)Cl 7be1b14dc7a5f0bba279bb778f866246 [0,1,0,0,0,0|3,0,0]=4 1272 B11R1.24 FCOCc1cncc(c1)F 4c3a3cbdc629bb6c30baa5e8cfe972c0 [0,1,0,0,0,0|3,0,0]=4 1273 B11R1.24 FCOCc1cncc(c1)I 03cfe8fcdde25d70efbc53633accd548 [0,1,0,0,0,0|3,0,0]=4 1274 B11R1.24 Fc1cc(ccn1)NCCBr 5dc96f5667e02330a919e7d3c1bb2535 [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.24 Fc1cc(ccn1)NCCI fa2e19d43f20737e7cafc6d0b9870502 [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.24 Fc1cc(ccn1)NCCS 300135cbd98fb884979b65d0ebcf51b5 [0,1,0,0,0,0|2,1,0]=4 1277 B11R1.24 Fc1cc(ccn1)OCCS 1526e0c7c4fd19feeb3c140c6bdf7d7d [0,1,0,0,0,0|2,1,0]=4 1278 B11R1.24 Fc1cccc(c1)NCCI 8a6f044d8ed2ec996c87b3f7662b5d9e [0,1,0,0,0,0|2,0,0]=3 1279 B11R1.24 Fc1cccc(c1)NCCS 111e99f9a18e94deed9c071f45698da5 [0,1,0,0,0,0|1,1,0]=3 1280 B11R1.24 Fc1cccc(c1)OCCS 6a888b3fc77bfaa56db9101dd1183ce5 [0,1,0,0,0,0|1,1,0]=3 1281 B11R1.24 Fc1cccc(n1)NCCS 7c09e052be8afc12a20dc4be58121665 [0,1,0,0,0,0|2,1,0]=4 1282 B11R1.24 Fc1cccc(n1)OCCS 6ba663c61de122c18358a1ab6e5f63d1 [0,1,0,0,0,0|2,1,0]=4 1283 B11R1.24 Fc1ccnc(c1)NCCS d602db65a060fb806f1f95ad69d10ab0 [0,1,0,0,0,0|2,1,0]=4 1284 B11R1.24 Fc1ccnc(c1)OCCS 8e1ae93291a291f9a78575650a068667 [0,1,0,0,0,0|2,1,0]=4 1285 B11R1.24 Fc1cncc(c1)NCCBr 41ad5edf64f8820fc8431e47e93e1e4b [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.24 Fc1cncc(c1)NCCI cb55cc87c86366e0b34f6ce26726b5b8 [0,1,0,0,0,0|3,0,0]=4 1287 B11R1.24 Fc1cncc(c1)NCCS 59fe84868f05396ca73116a256e7c7a3 [0,1,0,0,0,0|2,1,0]=4 1288 B11R1.24 Fc1cncc(c1)OCCS bf1debc93b761e96b948e558c4700569 [0,1,0,0,0,0|2,1,0]=4 1289 B11R1.24 N#CCNc1cccc(c1)Br 348259becb6b70b29b12033843006068 [0,1,0,0,0,0|2,0,1]=4 1290 B11R1.24 N#CCNc1cccc(c1)Cl 7d80c428edb313059949a7052d2869e3 [0,1,0,0,0,0|2,0,1]=4 1291 B11R1.24 N#CCNc1cccc(c1)F 70e470b735915172a7cb5bc6acf01c66 [0,1,0,0,0,0|2,0,1]=4 1292 B11R1.24 N#CCNc1cccc(c1)I e7ffac9f83565862a1ea9c67a48f76b9 [0,1,0,0,0,0|2,0,1]=4 1293 B11R1.24 N#CCNc1cccc(c1)S 06bf484f2d9a22e28b22fbf407c194f3 [0,1,0,0,0,0|2,0,1]=4 1294 B11R1.24 N#CCOc1cccc(c1)Br ce61b6196ec759074c54d0e9647e72f5 [0,1,0,0,0,0|2,0,1]=4 1295 B11R1.24 N#CCOc1cccc(c1)Cl e2375187209f6bc8f8694d190b5227df [0,1,0,0,0,0|2,0,1]=4 1296 B11R1.24 N#CCOc1cccc(c1)F 81e071522f4734d7ce713bf2f89b8cd7 [0,1,0,0,0,0|2,0,1]=4 1297 B11R1.24 N#CCOc1cccc(c1)I dcc082d99e6fa9fa7ba7a9dcee94534f [0,1,0,0,0,0|2,0,1]=4 1298 B11R1.24 N#CCOc1cccc(c1)S f65db35aa1287bc7c82976e5220a9d88 [0,1,0,0,0,0|2,0,1]=4 1299 B11R1.24 N#CNCc1cccc(c1)Br 40947e3a7b47e2be9d0f96d385ea1cab [0,1,0,0,0,0|2,0,1]=4 1300 B11R1.24 N#CNCc1cccc(c1)Cl 999e9fb7fa6a6663d2a527e282871e10 [0,1,0,0,0,0|2,0,1]=4 1301 B11R1.24 N#CNCc1cccc(c1)F 62d3238376d897dcb10c1c919ec65fde [0,1,0,0,0,0|2,0,1]=4 1302 B11R1.24 N#CNCc1cccc(c1)I 602c3d6d94c8e2962c7676d14076aa55 [0,1,0,0,0,0|2,0,1]=4 1303 B11R1.24 O=CCNc1cccc(c1)Br 58f3b4009c79f8260654c2f82a7f1a3d [0,1,0,0,0,0|1,0,2]=4 1304 B11R1.24 O=CCNc1cccc(c1)Cl 145c9e2238e5a2eb6727bb5fb70c46c7 [0,1,0,0,0,0|1,0,2]=4 1305 B11R1.24 O=CCNc1cccc(c1)F 0b3b77aa23b4986f0408df0f726301d4 [0,1,0,0,0,0|1,0,2]=4 1306 B11R1.24 O=CCNc1cccc(c1)I 60c53eb71c9911d5ebb2128f0fd07f21 [0,1,0,0,0,0|1,0,2]=4 1307 B11R1.24 O=CCNc1cccc(c1)S d40d643635af2cd3f7207d81f532ddbc [0,1,0,0,0,0|1,0,2]=4 1308 B11R1.24 O=CCOc1cccc(c1)Br eaec2e608b2f57f0aae7fb33a6d921c5 [0,1,0,0,0,0|1,0,2]=4 1309 B11R1.24 O=CCOc1cccc(c1)Cl 09a2ec3cff5ec5fde89682fb08cc0f7b [0,1,0,0,0,0|1,0,2]=4 1310 B11R1.24 O=CCOc1cccc(c1)F 63ba6481d3258093a9a164e021cf554a [0,1,0,0,0,0|1,0,2]=4 1311 B11R1.24 O=CCOc1cccc(c1)I 33223811f432c000dfcff405ac1ea782 [0,1,0,0,0,0|1,0,2]=4 1312 B11R1.24 O=CCOc1cccc(c1)S 8914a299f171d96ef4b0ade9c428be82 [0,1,0,0,0,0|1,0,2]=4 1313 B11R1.24 O=CNCc1cccc(c1)Br 81a6d67e7c0081d831790a4f60fdd665 [0,1,0,0,0,0|1,0,2]=4 1314 B11R1.24 O=CNCc1cccc(c1)Cl 65b698943b3a92d1bd4a0e6dffd59e66 [0,1,0,0,0,0|1,0,2]=4 1315 B11R1.24 O=CNCc1cccc(c1)F 27dcacf4bc23db553cf8adde50a08a8b [0,1,0,0,0,0|1,0,2]=4 1316 B11R1.24 O=CNCc1cccc(c1)I ac2116931a566ab6ed04886c2660a5c2 [0,1,0,0,0,0|1,0,2]=4 1317 B11R1.24 O=CNCc1cccc(c1)O 5064b7b78a71b73f549eda5bd0de9ccc [0,1,0,0,0,0|1,0,2]=4 1318 B11R1.24 O=c1cc(cc[nH]1)CNCF b66001148f940736ba4d20ddbce9ec82 [0,1,0,0,0,0|3,0,0]=4 1319 B11R1.24 O=c1cc(cc[nH]1)CNCO c4aad1d382df6023dbb9bfc71918fa08 [0,1,0,0,0,0|2,0,0]=3 1320 B11R1.24 O=c1cc(cc[nH]1)COCF 6da106d8a02af5d7c9171540ad876cb8 [0,1,0,0,0,0|3,0,0]=4 1321 B11R1.24 O=c1cc(cc[nH]1)NCCO 129cf860ef94c7e192de21f9b1db83ab [0,1,0,0,0,0|2,0,0]=3 1322 B11R1.24 O=c1cc(cc[nH]1)NCCS b4cffa228827cebac5d8f4a576909440 [0,1,0,0,0,0|2,1,0]=4 1323 B11R1.24 O=c1cc(cn[nH]1)NCCO e3803b8082e793cc9e572108c89cb766 [0,1,0,0,0,0|3,0,0]=4 1324 B11R1.24 O=c1cccc([nH]1)NCCI d3d2579c8b2c79045454e3f507917a10 [0,1,0,0,0,0|3,0,0]=4 1325 B11R1.24 O=c1cccc([nH]1)NCCO e1b5fac943594d1367740fc431b7f68f [0,1,0,0,0,0|2,0,0]=3 1326 B11R1.24 O=c1cccc([nH]1)NCCS 2914764208f418015f5459efe46732c3 [0,1,0,0,0,0|2,1,0]=4 1327 B11R1.24 O=c1cccc([nH]1)OCCF bcf8a15e84a697041a6a24f693ef883a [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.24 O=c1cccc([nH]1)OCCS 9a38ce506c6f1cfea905ecfc0a6e96a2 [0,1,0,0,0,0|2,1,0]=4 1329 B11R1.24 O=c1ccnc([nH]1)NCCO 3d9c55ec28e1b9ceb1c230f8e4faed7c [0,1,0,0,0,0|3,0,0]=4 1330 B11R1.24 O=c1nc(cc[nH]1)CNCO d94a7283722b61c80ebdc67a00955b72 [0,1,0,0,0,0|3,0,0]=4 1331 B11R1.24 O=c1nc(cc[nH]1)NCCO 48cb6e8014513112521c26a76b9a4d9c [0,1,0,0,0,0|3,0,0]=4 1332 B11R1.24 OCCNc1cc(ccn1)Br 0e5845a9d75897934a7ce851325e636b [0,1,0,0,0,0|2,0,0]=3 1333 B11R1.24 OCCNc1cc(ccn1)Cl 7c04defb8496760f37c26173d358f1c7 [0,1,0,0,0,0|2,0,0]=3 1334 B11R1.24 OCCNc1cc(ccn1)F 394032aa62c6106ac2a0a110fc66bc09 [0,1,0,0,0,0|2,0,0]=3 1335 B11R1.24 OCCNc1cc(ccn1)I c9c07f7ea916c489386a21b821d3dbff [0,1,0,0,0,0|2,0,0]=3 1336 B11R1.24 OCCNc1cc(cnn1)Br 4fff107977ebf727b13e0d5ba80fce7d [0,1,0,0,0,0|3,0,0]=4 1337 B11R1.24 OCCNc1cc(cnn1)Cl e7a155b8cb4ca0e1eb3644cf6c5e876d [0,1,0,0,0,0|3,0,0]=4 1338 B11R1.24 OCCNc1cc(ncn1)Br 13b85263bf47049753ad06428791cc12 [0,1,0,0,0,0|3,0,0]=4 1339 B11R1.24 OCCNc1cc(ncn1)Cl 715f6cfb0e47bf7eaffd8f118476ebdb [0,1,0,0,0,0|3,0,0]=4 1340 B11R1.24 OCCNc1cc(ncn1)F 8fb8cd337f1fe6d2e22435beac4cf334 [0,1,0,0,0,0|3,0,0]=4 1341 B11R1.24 OCCNc1cc(ncn1)I 1c5d438e386c4071a5065d4ccef16a5f [0,1,0,0,0,0|3,0,0]=4 1342 B11R1.24 OCCNc1cc[nH]c(=S)c1 bbbfd2bf2db3ba0eaa7bdfe622694e84 [0,1,0,0,0,0|2,0,0]=3 1343 B11R1.24 OCCNc1cccc(c1)Br 72567362870bfac93c93e7b10c66dbef [0,1,0,0,0,0|1,0,0]=2 1344 B11R1.24 OCCNc1cccc(c1)Cl e17e7e92e4c4d52ba070bc2481182aec [0,1,0,0,0,0|1,0,0]=2 1345 B11R1.24 OCCNc1cccc(c1)F efdd551ee0f00745ebb911089af2cb0e [0,1,0,0,0,0|1,0,0]=2 1346 B11R1.24 OCCNc1cccc(c1)I f3c298b6e86d76fb00282800b71da201 [0,1,0,0,0,0|1,0,0]=2 1347 B11R1.24 OCCNc1cccc(c1)S bc3a43ad2a55514906329a47347a3147 [0,1,0,0,0,0|1,0,0]=2 1348 B11R1.24 OCCNc1cccc(n1)Br 16afda6c91c8eb0785eae3aaeedeb0ff [0,1,0,0,0,0|2,0,0]=3 1349 B11R1.24 OCCNc1cccc(n1)Cl 0dd354cac868e8a2f5e6b90d2720b521 [0,1,0,0,0,0|2,0,0]=3 1350 B11R1.24 OCCNc1cccc(n1)F 5cca75db912fddd5272d0cd29841e998 [0,1,0,0,0,0|2,0,0]=3 1351 B11R1.24 OCCNc1cccc(n1)I c4affa9525427bd84927869b068208bf [0,1,0,0,0,0|2,0,0]=3 1352 B11R1.24 OCCNc1ccnc(c1)Br b200f0856d5da5e2a16447f55e9aa61a [0,1,0,0,0,0|2,0,0]=3 1353 B11R1.24 OCCNc1ccnc(c1)Cl 3ffc831c5d727a7d566cfb2f2129d6e9 [0,1,0,0,0,0|2,0,0]=3 1354 B11R1.24 OCCNc1ccnc(c1)F 5ba3ed8dbf00788462e880b9e109daef [0,1,0,0,0,0|2,0,0]=3 1355 B11R1.24 OCCNc1ccnc(c1)I 93104159a05486eee76aacf8b07b4419 [0,1,0,0,0,0|2,0,0]=3 1356 B11R1.24 OCCNc1ccnc(n1)Br 9d461ceb94dff0f34e52681f6aacd4f6 [0,1,0,0,0,0|3,0,0]=4 1357 B11R1.24 OCCNc1ccnc(n1)Cl 16fdcfa62bef8bf69875b2211a281083 [0,1,0,0,0,0|3,0,0]=4 1358 B11R1.24 OCCNc1ccnc(n1)F 7e7f9a41222492e023e165c71c5badde [0,1,0,0,0,0|3,0,0]=4 1359 B11R1.24 OCCNc1ccnc(n1)S 4c8b98e5c8b658c6c060e21932cd18a8 [0,1,0,0,0,0|3,0,0]=4 1360 B11R1.24 OCCNc1cncc(c1)Br a75dcf2c2e63145cd782ada60acb2864 [0,1,0,0,0,0|2,0,0]=3 1361 B11R1.24 OCCNc1cncc(c1)Cl a2b4c7a5a212bf04c94411f62e5ad358 [0,1,0,0,0,0|2,0,0]=3 1362 B11R1.24 OCCNc1cncc(c1)F 31f36ced4ee71c6d0d3124d50ec8de63 [0,1,0,0,0,0|2,0,0]=3 1363 B11R1.24 OCCNc1cncc(c1)I d65eed8002ee9bcaa63e0e96e66af7b7 [0,1,0,0,0,0|2,0,0]=3 1364 B11R1.24 OCCNc1cncc(n1)Cl 799745880a45cc81d31dc1ce09de79f1 [0,1,0,0,0,0|3,0,0]=4 1365 B11R1.24 OCCNc1cncc(n1)F 4634e670d07b71133aab3bf274471ef4 [0,1,0,0,0,0|3,0,0]=4 1366 B11R1.24 OCCNc1cnnc(c1)Cl 992e7abf7773827f3d0c5afceb5a8257 [0,1,0,0,0,0|3,0,0]=4 1367 B11R1.24 OCCNc1cnnc(c1)F 249ce49399147777bb4ea7dfcccf4d1c [0,1,0,0,0,0|3,0,0]=4 1368 B11R1.24 OCCNc1nccc(n1)Br d24ce311724bdf27da27e60709c6e904 [0,1,0,0,0,0|3,0,0]=4 1369 B11R1.24 OCCNc1nccc(n1)Cl 1e581bf4784c489cffad6204d90ef5f8 [0,1,0,0,0,0|3,0,0]=4 1370 B11R1.24 OCCNc1nccc(n1)F a1bb2abc0f6b013ef099860d68008559 [0,1,0,0,0,0|3,0,0]=4 1371 B11R1.24 OCCNc1nccc(n1)I d66328c280731dff21d4166597d49d47 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.24 OCCNc1nccc(n1)S 40262475aa7862ec31ad1732dbf13120 [0,1,0,0,0,0|3,0,0]=4 1373 B11R1.24 OCNCc1cc(ccn1)Br 06cb0b6f11d2df317f076a34cca73254 [0,1,0,0,0,0|2,0,0]=3 1374 B11R1.24 OCNCc1cc(ccn1)Cl 5646effac8639f8535d15a6b99ad056c [0,1,0,0,0,0|2,0,0]=3 1375 B11R1.24 OCNCc1cccc(c1)Br 9ae94d6fc4c7aac28899119fef51b5ec [0,1,0,0,0,0|1,0,0]=2 1376 B11R1.24 OCNCc1cccc(c1)Cl 713c7b0184423731a15a73fa223201b6 [0,1,0,0,0,0|1,0,0]=2 1377 B11R1.24 OCNCc1cccc(c1)F a12edc0401d7c1be2d7abc20d4ca38fc [0,1,0,0,0,0|1,0,0]=2 1378 B11R1.24 OCNCc1cccc(c1)I f7370a634a3488ab18a27f63d6247824 [0,1,0,0,0,0|1,0,0]=2 1379 B11R1.24 OCNCc1cccc(n1)Br 23296dee875c9669a422613f06aeef06 [0,1,0,0,0,0|2,0,0]=3 1380 B11R1.24 OCNCc1cccc(n1)Cl faf46ab43f1e9a23a22115d506a7017c [0,1,0,0,0,0|2,0,0]=3 1381 B11R1.24 OCNCc1cccc(n1)F c5b650412f060761f1cc75a8aca4b5dd [0,1,0,0,0,0|2,0,0]=3 1382 B11R1.24 OCNCc1ccnc(c1)Br 3a0e55a9ff73d236d99460783912071e [0,1,0,0,0,0|2,0,0]=3 1383 B11R1.24 OCNCc1ccnc(c1)Cl e808e8311876b6a3d48faefd4bc8115e [0,1,0,0,0,0|2,0,0]=3 1384 B11R1.24 OCNCc1ccnc(c1)F 5c6920251d116376c180ff91e7c1250a [0,1,0,0,0,0|2,0,0]=3 1385 B11R1.24 OCNCc1cncc(c1)Br ffec339e7a0fc11ba77bb4ac904f8f20 [0,1,0,0,0,0|2,0,0]=3 1386 B11R1.24 OCNCc1cncc(c1)Cl 8574d223ab5ee8845117148de06cee06 [0,1,0,0,0,0|2,0,0]=3 1387 B11R1.24 OCNCc1cncc(c1)F b3a6ffb96c10c52c53c936dac726e05c [0,1,0,0,0,0|2,0,0]=3 1388 B11R1.24 OCNCc1cncc(n1)Cl 1a1cdb2f40a47f713f3a31fdbb51dc67 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.24 OCNCc1nccc(n1)Cl ffa2c8510ea4a3c290350d64b752a226 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.24 Oc1cccc(c1)NCCS 90fb0bece5f4ef3440fd1c51e48f120a [0,1,0,0,0,0|1,1,0]=3 1391 B11R1.24 Oc1ccnc(c1)NCCS a3cd4fe526a7b40663b993ecde214579 [0,1,0,0,0,0|2,1,0]=4 1392 B11R1.24 S=c1cc(cc[nH]1)NCCS e0d7d9878348c1ccbb3def167ab5a55b [0,1,0,0,0,0|2,1,0]=4 1393 B11R1.24 SCCNc1cc(ccn1)Br 66f725b76f6a8000dfa8c77cdcb5587c [0,1,0,0,0,0|2,1,0]=4 1394 B11R1.24 SCCNc1cc(ccn1)Cl eb6af22889c51cbb9a9c3f56d9bce7a8 [0,1,0,0,0,0|2,1,0]=4 1395 B11R1.24 SCCNc1cc(ccn1)I c48f0d18a1cca196ede3a4f0b740dad1 [0,1,0,0,0,0|2,1,0]=4 1396 B11R1.24 SCCNc1cccc(c1)Br cbcc30b1e277f7e40eb9e326ae777bb5 [0,1,0,0,0,0|1,1,0]=3 1397 B11R1.24 SCCNc1cccc(c1)Cl 2f57001a83ec8d5ce3c44dce9353a13f [0,1,0,0,0,0|1,1,0]=3 1398 B11R1.24 SCCNc1cccc(c1)I f5616d4701847e6288fc4af92fec75a5 [0,1,0,0,0,0|1,1,0]=3 1399 B11R1.24 SCCNc1cccc(c1)S 0e0fd34954253302d73110367a83e4a4 [0,1,0,0,0,0|1,1,0]=3 1400 B11R1.24 SCCNc1cccc(n1)Br c9243d9c4d4684d6bbba9b4f9d614ebb [0,1,0,0,0,0|2,1,0]=4 1401 B11R1.24 SCCNc1cccc(n1)Cl 5dcef3b84c5751e952348165a25b6b2e [0,1,0,0,0,0|2,1,0]=4 1402 B11R1.24 SCCNc1cccc(n1)I aeceafdcd8b797a3755c8a5a1347e555 [0,1,0,0,0,0|2,1,0]=4 1403 B11R1.24 SCCNc1ccnc(c1)Br 793a8b52a0c2f0c3d6987101ae33881f [0,1,0,0,0,0|2,1,0]=4 1404 B11R1.24 SCCNc1ccnc(c1)Cl a603cd5bfa81db0ce4e6aa1d5e81c191 [0,1,0,0,0,0|2,1,0]=4 1405 B11R1.24 SCCNc1ccnc(c1)I cbe7940f1ceaaac216135f2ee4e43266 [0,1,0,0,0,0|2,1,0]=4 1406 B11R1.24 SCCNc1cncc(c1)Br 09ff4e7a404a9bb3e5bfe28f46aa5890 [0,1,0,0,0,0|2,1,0]=4 1407 B11R1.24 SCCNc1cncc(c1)Cl 19ee2a94766e789031649f1a339a510e [0,1,0,0,0,0|2,1,0]=4 1408 B11R1.24 SCCNc1cncc(c1)I e41dbb666dd46d0ce621bd464cfeb45c [0,1,0,0,0,0|2,1,0]=4 1409 B11R1.24 SCCOc1cc(ccn1)Br a2a0d4bd58875edc3f3faeab79307a1a [0,1,0,0,0,0|2,1,0]=4 1410 B11R1.24 SCCOc1cc(ccn1)Cl 6dd0e062116bfd0012e13413e203674a [0,1,0,0,0,0|2,1,0]=4 1411 B11R1.24 SCCOc1cccc(c1)Br e29f1287cdedf4ced05629d8ec3308ee [0,1,0,0,0,0|1,1,0]=3 1412 B11R1.24 SCCOc1cccc(c1)Cl c6106fdfdfada56aa5873825021fa0eb [0,1,0,0,0,0|1,1,0]=3 1413 B11R1.24 SCCOc1cccc(c1)I fe2c18f3e6909e773b949d048cdd6619 [0,1,0,0,0,0|1,1,0]=3 1414 B11R1.24 SCCOc1cccc(c1)S 9191721e00952c64cadf2154be9938a1 [0,1,0,0,0,0|1,1,0]=3 1415 B11R1.24 SCCOc1cccc(n1)Br 495fe021cb0786af87a96a7f4508b68a [0,1,0,0,0,0|2,1,0]=4 1416 B11R1.24 SCCOc1ccnc(c1)Br d3c48ae492d216842e26ac3f87f5468f [0,1,0,0,0,0|2,1,0]=4 1417 B11R1.24 SCCOc1ccnc(c1)Cl 5f7b6c82222ac3056dd57b2efe8ff639 [0,1,0,0,0,0|2,1,0]=4 1418 B11R1.24 SCCOc1cncc(c1)Br f8a1d9ddd5073f8f985ceaee335d600f [0,1,0,0,0,0|2,1,0]=4 1419 B11R1.24 SCCOc1cncc(c1)Cl a56961aaedd3fe619f1a4a5da5b73726 [0,1,0,0,0,0|2,1,0]=4 1420 B11R1.24 SCCOc1cncc(c1)I 9e1f8ab9536cf31615a0a96552a00a6c [0,1,0,0,0,0|2,1,0]=4 1421 B11R1.24 [O-][n+]1cccc(c1)CNCF 743ed511b1501df4b5da0078e9b86987 [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.24 [O-][n+]1cccc(c1)CNCO aa03904d5dcf4d8ab04ff277c5e28dc8 [0,1,0,0,0,0|2,0,0]=3 1423 B11R1.24 [O-][n+]1cccc(c1)COCF e349f6e491000074bd88636598ae4f66 [0,1,0,0,0,0|3,0,0]=4 1424 B11R1.24 [O-][n+]1cccc(c1)NCCO 08efe197244e0f689fc986199286df25 [0,1,0,0,0,0|2,0,0]=3 1425 B11R1.24 [O-][n+]1cccc(c1)NCCS 45c9c329e43bbc9c610015b0b6cb067e [0,1,0,0,0,0|2,1,0]=4 1426 B11R1.24 [O-][n+]1cccc(c1)OCCF af541f9ab86e013f31ed03f50dbdab54 [0,1,0,0,0,0|3,0,0]=4 1427 B11R1.24 [O-][n+]1cccc(c1)OCCS 352e070ad1c374b578f63cebe778e9ef [0,1,0,0,0,0|2,1,0]=4 1428 B11R1.28 BrCCNCc1ccccc1 ac057fc43e8d6ea85181427003cd8239 [0,1,0,0,0,0|1,0,0]=2 1429 B11R1.28 BrCCNCc1ccccn1 90bb93ff46fc49bde9265b45b65f9d87 [0,1,0,0,0,0|2,0,0]=3 1430 B11R1.28 BrCCNCc1cccnc1 a9888ba9b6c914af5c547c17a572df8f [0,1,0,0,0,0|2,0,0]=3 1431 B11R1.28 BrCCNCc1cccnn1 b768633755d3d5e80d9e7a1d90688eef [0,1,0,0,0,0|3,0,0]=4 1432 B11R1.28 BrCCNCc1ccncn1 f162626abcab5d0b5ade1edd41d87537 [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.28 BrCCNCc1cncnc1 551975681aff1ce615ec2293b9e61c59 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.28 BrCCNCc1ncccn1 db9e4586b003b20816beb6944fa16353 [0,1,0,0,0,0|3,0,0]=4 1435 B11R1.28 C#CCCNc1ccccc1 a50e6468b9593b4ac45e12d5e3b3638a [0,1,0,0,0,0|1,0,1]=3 1436 B11R1.28 C#CCCNc1ccccn1 f7a1e5b263bb577848e2c7d42a3f97ae [0,1,0,0,0,0|2,0,1]=4 1437 B11R1.28 C#CCCNc1cccnc1 d032e547e1f10b86035879ba8cd846a5 [0,1,0,0,0,0|2,0,1]=4 1438 B11R1.28 C#CCCNc1ccncc1 4b8e3279164a38893047d431a4cd8632 [0,1,0,0,0,0|2,0,1]=4 1439 B11R1.28 C#CCCOc1ccccn1 e508d62db929222e2eb37d5403bac035 [0,1,0,0,0,0|2,0,1]=4 1440 B11R1.28 C#CCCOc1cccnc1 4e28053c00ae475249fd9364081f9ff0 [0,1,0,0,0,0|2,0,1]=4 1441 B11R1.28 C#CCCOc1ccncc1 976260e0c9042d6fec7d7012d4067985 [0,1,0,0,0,0|2,0,1]=4 1442 B11R1.28 C#CCNCc1ccccc1 5ab7d08152aaaf12430a9163e509ecd1 [0,1,0,0,0,0|1,0,1]=3 1443 B11R1.28 C#CCNCc1ccccn1 a9c6f935a920670fb547218475a4aafd [0,1,0,0,0,0|2,0,1]=4 1444 B11R1.28 C#CCNCc1cccnc1 711cdba6849e2f009fb36a9139d4703a [0,1,0,0,0,0|2,0,1]=4 1445 B11R1.28 C#CCNCc1ccncc1 e1276392d81c6c5c56f4accf16fc09eb [0,1,0,0,0,0|2,0,1]=4 1446 B11R1.28 C#CCOCc1ccccc1 4aff10236737b564a9b29132113db7f4 [0,1,0,0,0,0|1,0,1]=3 1447 B11R1.28 C#CCOCc1ccccn1 2e4da7abeb61c83d6f30a0e249bff80d [0,1,0,0,0,0|2,0,1]=4 1448 B11R1.28 C#CCOCc1cccnc1 f598f008a419576408c9aa89b9e6160a [0,1,0,0,0,0|2,0,1]=4 1449 B11R1.28 C#CCOCc1ccncc1 e80ec245d7321372e2a66f7f3130a349 [0,1,0,0,0,0|2,0,1]=4 1450 B11R1.28 C/C=C/CNc1ccccc1 e02cbeaffef0ff2c4795b558e93457ed [0,1,0,0,0,0|1,0,2]=4 1451 B11R1.28 C/C=C\CNc1ccccc1 f25f4c9ee5d52b5a340bd4a7fd720817 [0,1,0,0,0,0|1,0,2]=4 1452 B11R1.28 C=CCCNc1ccccc1 41e5ae44107c117783190eb282a3dc50 [0,1,0,0,0,0|1,0,1]=3 1453 B11R1.28 C=CCCNc1ccccn1 e92a5093fa2898ea30d4fe7927707a16 [0,1,0,0,0,0|2,0,1]=4 1454 B11R1.28 C=CCCNc1cccnc1 037ab6e30e93fe1574bf3e5b2653f3ce [0,1,0,0,0,0|2,0,1]=4 1455 B11R1.28 C=CCCNc1ccncc1 b2379308cfd1e30f71b1926532910f97 [0,1,0,0,0,0|2,0,1]=4 1456 B11R1.28 C=CCCOc1ccccn1 0ab523476c40cca7ddeb1371fcb5c049 [0,1,0,0,0,0|2,0,1]=4 1457 B11R1.28 C=CCCOc1cccnc1 7769faf927b2f71c466a04dbb21eb775 [0,1,0,0,0,0|2,0,1]=4 1458 B11R1.28 C=CCCOc1ccncc1 b78d3fbba4952f494971bea602c8b13f [0,1,0,0,0,0|2,0,1]=4 1459 B11R1.28 C=CCNCc1ccccc1 c3088ea78b0f7fe35bdb5a0a79f4eb2a [0,1,0,0,0,0|1,0,1]=3 1460 B11R1.28 C=CCNCc1ccccn1 e7bb58472b2cfc748af211be177c817f [0,1,0,0,0,0|2,0,1]=4 1461 B11R1.28 C=CCNCc1cccnc1 be26afa279edaf46ac71e1a8a3eef3c3 [0,1,0,0,0,0|2,0,1]=4 1462 B11R1.28 C=CCNCc1ccncc1 ad520e95b5ba55b21ba42b353a30e560 [0,1,0,0,0,0|2,0,1]=4 1463 B11R1.28 C=CCOCc1ccccc1 38f1b42f9627b73302287ed7d9c08f3f [0,1,0,0,0,0|1,0,1]=3 1464 B11R1.28 C=CCOCc1ccccn1 11821b5ce58a574dd3347fc8c16e0da7 [0,1,0,0,0,0|2,0,1]=4 1465 B11R1.28 C=CCOCc1cccnc1 92e03930f4ecbaf48abeac351fe5f708 [0,1,0,0,0,0|2,0,1]=4 1466 B11R1.28 C=CCOCc1ccncc1 9f235ca44ff01c70c75a5c467d3c2edc [0,1,0,0,0,0|2,0,1]=4 1467 B11R1.28 CC=CCNc1ccccc1 c43b41b8b675349badfe26c48e3f7c5f [0,1,0,0,0,0|1,0,2]=4 1468 B11R1.28 CCCCNc1ccccc1 178647391839dfbe95aed182d7dc43ba [0,1,0,0,0,0|1,0,0]=2 1469 B11R1.28 CCCCNc1ccccn1 91c5e93b79177d6bf2e79f08485f5335 [0,1,0,0,0,0|2,0,0]=3 1470 B11R1.28 CCCCNc1cccnc1 b72453a6fd2f6ec63a951a849bd6d4ab [0,1,0,0,0,0|2,0,0]=3 1471 B11R1.28 CCCCNc1cccnn1 3dfd51777ba04f9375640c74ab9fa2e6 [0,1,0,0,0,0|3,0,0]=4 1472 B11R1.28 CCCCNc1ccncc1 24fb8abdae77c89030f13cd0949f55ff [0,1,0,0,0,0|2,0,0]=3 1473 B11R1.28 CCCCNc1ccncn1 285343aee96e8f045fe913fc70b195a9 [0,1,0,0,0,0|3,0,0]=4 1474 B11R1.28 CCCCNc1ccnnc1 ff8398fcae5d1b92f9ec3bc78a562cec [0,1,0,0,0,0|3,0,0]=4 1475 B11R1.28 CCCCNc1cnccn1 94ad2094a4d853e068f8fa7ebd18c7ff [0,1,0,0,0,0|3,0,0]=4 1476 B11R1.28 CCCCNc1cncnc1 5898f2b85902d6f8660c7182ee3b2170 [0,1,0,0,0,0|3,0,0]=4 1477 B11R1.28 CCCCNc1ncccn1 1c9a1ed7a4872dfade79e48decc1fc1d [0,1,0,0,0,0|3,0,0]=4 1478 B11R1.28 CCCCOc1ccccn1 6484ab4f70c598bfd74c056129d64bfe [0,1,0,0,0,0|2,0,0]=3 1479 B11R1.28 CCCCOc1cccnc1 5afbbe8f7376fe71bb9dd4caf03cbd91 [0,1,0,0,0,0|2,0,0]=3 1480 B11R1.28 CCCCOc1ccncc1 fc01d35869db11789e0b4af0f1677b1b [0,1,0,0,0,0|2,0,0]=3 1481 B11R1.28 CCCCOc1ccnnc1 667207acd2d82bae5786ac94d3b108de [0,1,0,0,0,0|3,0,0]=4 1482 B11R1.28 CCCCOc1cnccn1 74c5e85aaa9b94ec4e088971edd3244b [0,1,0,0,0,0|3,0,0]=4 1483 B11R1.28 CCCCOc1cncnc1 d754e073f477d30ef4fb9949b36048b9 [0,1,0,0,0,0|3,0,0]=4 1484 B11R1.28 CCCCOc1ncccn1 cea963446efaea4e45d8684cc469bd67 [0,1,0,0,0,0|3,0,0]=4 1485 B11R1.28 CCCNCc1ccccc1 6e74fa6187fccbc3617e9cc264b3e7aa [0,1,0,0,0,0|1,0,0]=2 1486 B11R1.28 CCCNCc1ccccn1 80119cb7f5f54b354b4e2a1110975477 [0,1,0,0,0,0|2,0,0]=3 1487 B11R1.28 CCCNCc1cccnc1 bc1eb1c5ec13776685acded27d44c636 [0,1,0,0,0,0|2,0,0]=3 1488 B11R1.28 CCCNCc1cccnn1 f9771734910ebcad90f8cb14178ca09d [0,1,0,0,0,0|3,0,0]=4 1489 B11R1.28 CCCNCc1ccncc1 a4e33f26d038f90cea08a211a6327f1b [0,1,0,0,0,0|2,0,0]=3 1490 B11R1.28 CCCNCc1ccncn1 4c6d605a0ccf50e124c7a439ea71cca1 [0,1,0,0,0,0|3,0,0]=4 1491 B11R1.28 CCCNCc1ccnnc1 f0dc052fccb98d09ed6a02caf7ad77f6 [0,1,0,0,0,0|3,0,0]=4 1492 B11R1.28 CCCNCc1cnccn1 c9890f6f5a4e09bed341b3daf3b2c549 [0,1,0,0,0,0|3,0,0]=4 1493 B11R1.28 CCCNCc1cncnc1 b63f5b77d0d35d3228827f3601ca0c32 [0,1,0,0,0,0|3,0,0]=4 1494 B11R1.28 CCCNCc1ncccn1 9d6cc7b3819df7e77a589192f2bf91c0 [0,1,0,0,0,0|3,0,0]=4 1495 B11R1.28 CCCOCc1ccccc1 112c1e14e862b8fbffa225764759b8ec [0,1,0,0,0,0|1,0,0]=2 1496 B11R1.28 CCCOCc1ccccn1 a2de9c7a7551b2ca6641b10a888e1203 [0,1,0,0,0,0|2,0,0]=3 1497 B11R1.28 CCCOCc1cccnc1 02843d33c5a54d2140670eb60a4dfb7b [0,1,0,0,0,0|2,0,0]=3 1498 B11R1.28 CCCOCc1cccnn1 b324e54ae74b0a57b2f9b766e3c0e490 [0,1,0,0,0,0|3,0,0]=4 1499 B11R1.28 CCCOCc1ccncc1 56ee45f2e5ce25d41ded46b7cfbb89b5 [0,1,0,0,0,0|2,0,0]=3 1500 B11R1.28 CCCOCc1ccncn1 c21e413653b185c946f470cd3c989a49 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.28 CCCOCc1ccnnc1 835d98ea225e99027be93ac65a9ecaeb [0,1,0,0,0,0|3,0,0]=4 1502 B11R1.28 CCCOCc1cnccn1 2f92d9f2b0d873450f90961d7406570a [0,1,0,0,0,0|3,0,0]=4 1503 B11R1.28 CCCOCc1cncnc1 62dd4b6cbce5110705e084fd1f6898a2 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.28 CCCOCc1ncccn1 aded070bc849868bd77e139f41cc86fb [0,1,0,0,0,0|3,0,0]=4 1505 B11R1.28 CCNCCc1ccccc1 a4bcdd097e726e04ab2794cdb42f5f71 [0,1,0,0,0,0|1,0,0]=2 1506 B11R1.28 CCNCCc1ccccn1 08ffb64a8c703d8e611cb4b81d73ea48 [0,1,0,0,0,0|2,0,0]=3 1507 B11R1.28 CCNCCc1cccnc1 4a3a0c73e4e732e57ab84a312bb6bfb2 [0,1,0,0,0,0|2,0,0]=3 1508 B11R1.28 CCNCCc1ccncc1 8e4e115f84a67e767e5e9ff1560cacbe [0,1,0,0,0,0|2,0,0]=3 1509 B11R1.28 CCNCCc1ccncn1 dba79812e975c4d64e5e25d258f9e6a6 [0,1,0,0,0,0|3,0,0]=4 1510 B11R1.28 CCNCCc1cnccn1 2497cab3d04dd1dac7aa9e87fb020630 [0,1,0,0,0,0|3,0,0]=4 1511 B11R1.28 CCNCCc1ncccn1 8878621879d60c35f5e690c8ce15ae29 [0,1,0,0,0,0|3,0,0]=4 1512 B11R1.28 CCOCCc1ccccc1 4c8fc52cc53157c0b0cd10959d18f86a [0,1,0,0,0,0|1,0,0]=2 1513 B11R1.28 CCOCCc1ccccn1 0d3553a98e2eb283c6e354f56bb7c09d [0,1,0,0,0,0|2,0,0]=3 1514 B11R1.28 CCOCCc1cccnc1 fde9743ce24696d5aa5aa82dfaaaf4a7 [0,1,0,0,0,0|2,0,0]=3 1515 B11R1.28 CCOCCc1ccncc1 630579b198392670c66e884689fb17ef [0,1,0,0,0,0|2,0,0]=3 1516 B11R1.28 CCOCCc1ccncn1 bedc028f31c05778aab48e9543338256 [0,1,0,0,0,0|3,0,0]=4 1517 B11R1.28 CCOCCc1cnccn1 df7cb588e7f62873ee34f1155b413714 [0,1,0,0,0,0|3,0,0]=4 1518 B11R1.28 CCOCCc1cncnc1 58c96cb82c933f213a2e027db9cf3e79 [0,1,0,0,0,0|3,0,0]=4 1519 B11R1.28 CCOCCc1ncccn1 3fe5ff61de16184188b5260ddcb372ea [0,1,0,0,0,0|3,0,0]=4 1520 B11R1.28 CCOCNc1ccccc1 00b4118c5fbc36d206f093517b5cafbb [0,1,0,0,0,0|2,0,0]=3 1521 B11R1.28 CCOCNc1ccccn1 ac3729b96ca810b5bc3bde9ed19bf9fa [0,1,0,0,0,0|3,0,0]=4 1522 B11R1.28 CCOCNc1cccnc1 d3b3fa022b30954b0290fed1cdafa77a [0,1,0,0,0,0|3,0,0]=4 1523 B11R1.28 CCOCNc1ccncc1 7b541819d70b7814c284336c668c77e2 [0,1,0,0,0,0|3,0,0]=4 1524 B11R1.28 CCOCOc1ccccn1 54f1e3cb35931cbfff15b357666888af [0,1,0,0,0,0|3,0,0]=4 1525 B11R1.28 CCOCOc1cccnc1 ead2fcc768ce8c5c30053e5139f1a3f8 [0,1,0,0,0,0|3,0,0]=4 1526 B11R1.28 CCOCOc1ccncc1 432375e2a4c080d14e68465c24c6befc [0,1,0,0,0,0|3,0,0]=4 1527 B11R1.28 COCCNc1ccccc1 5ef0d3255ad59be77d905fd9c0e71e6d [0,1,0,0,0,0|1,0,0]=2 1528 B11R1.28 COCCNc1ccccn1 89ce959fbd9c09f77faba6fd797cd6ad [0,1,0,0,0,0|2,0,0]=3 1529 B11R1.28 COCCNc1cccnc1 3616fb0bfda365de01dc790c24f19ca2 [0,1,0,0,0,0|2,0,0]=3 1530 B11R1.28 COCCNc1cccnn1 8733c04e0a44ea8a7038e5961b1befad [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.28 COCCNc1ccncc1 e86302258d425dce02b6a807adbdf19d [0,1,0,0,0,0|2,0,0]=3 1532 B11R1.28 COCCNc1ccncn1 c6d474a468adffcb122226924683c6d3 [0,1,0,0,0,0|3,0,0]=4 1533 B11R1.28 COCCNc1ccnnc1 1bbf538b4d0732b2c120fe5274cd6aef [0,1,0,0,0,0|3,0,0]=4 1534 B11R1.28 COCCNc1cnccn1 89a57d49972f4332836b38e03ec7c28e [0,1,0,0,0,0|3,0,0]=4 1535 B11R1.28 COCCNc1cncnc1 66c6015f6e476a413df88786e8354dd1 [0,1,0,0,0,0|3,0,0]=4 1536 B11R1.28 COCCNc1ncccn1 7e1e5eb4cfa8afc12d90009e638d22ba [0,1,0,0,0,0|3,0,0]=4 1537 B11R1.28 COCCOc1ccccn1 c15a0f2a35a14a6120db222de8e43d40 [0,1,0,0,0,0|2,0,0]=3 1538 B11R1.28 COCCOc1cccnc1 7d9dde4ce0ac45ab046b208edae409a9 [0,1,0,0,0,0|2,0,0]=3 1539 B11R1.28 COCCOc1ccncc1 13c01b88dd4fec82579627c21ba6ed06 [0,1,0,0,0,0|2,0,0]=3 1540 B11R1.28 COCCOc1ccnnc1 46b9eeb7c8b1d34f63e2466ef172aac6 [0,1,0,0,0,0|3,0,0]=4 1541 B11R1.28 COCCOc1cnccn1 3195bf44c40b4cfe23cd964d6107e835 [0,1,0,0,0,0|3,0,0]=4 1542 B11R1.28 COCCOc1cncnc1 ae786cec5577f7bf04de6eb667a04ccd [0,1,0,0,0,0|3,0,0]=4 1543 B11R1.28 COCCOc1ncccn1 ecaf6dd7fa3225dcb21592e471186427 [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.28 COCNCc1ccccc1 658bb4bb78d053244c07843f6f02f062 [0,1,0,0,0,0|1,0,0]=2 1545 B11R1.28 COCNCc1ccccn1 cb969ddff5a45a0c4df4b7717e547f81 [0,1,0,0,0,0|2,0,0]=3 1546 B11R1.28 COCNCc1cccnc1 35b8b6083a32f9db8795c63f618b2f12 [0,1,0,0,0,0|2,0,0]=3 1547 B11R1.28 COCNCc1cccnn1 9aaebdac9b44cb036a6c4efec8b145a8 [0,1,0,0,0,0|3,0,0]=4 1548 B11R1.28 COCNCc1ccncc1 3fb6af955e4c1e6a3044742c559cc5ae [0,1,0,0,0,0|2,0,0]=3 1549 B11R1.28 COCNCc1ccncn1 d1470f86349a91c3077428a64eeb245d [0,1,0,0,0,0|3,0,0]=4 1550 B11R1.28 COCNCc1ccnnc1 91ec9d828765b6f8e6a58cf0ac261f9e [0,1,0,0,0,0|3,0,0]=4 1551 B11R1.28 COCNCc1cnccn1 e7da00a079ae82f27242b20b43289b5a [0,1,0,0,0,0|3,0,0]=4 1552 B11R1.28 COCNCc1cncnc1 2058c0eb2ce28060d15b1139995c356c [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.28 COCNCc1ncccn1 910dc37e487213f00ebe28f7f96b3dad [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.28 COCOCc1ccccc1 33758b3ae4df68a136cb96076fbeb2ee [0,1,0,0,0,0|1,0,0]=2 1555 B11R1.28 COCOCc1ccccn1 c7e2d466f64f2796a0fb099c19cb65e2 [0,1,0,0,0,0|2,0,0]=3 1556 B11R1.28 COCOCc1cccnc1 f4d73442b3dd40c1495fadfe4fccda61 [0,1,0,0,0,0|2,0,0]=3 1557 B11R1.28 COCOCc1cccnn1 6a346636ce31dd66677c2c2e6f45b6aa [0,1,0,0,0,0|3,0,0]=4 1558 B11R1.28 COCOCc1ccncc1 99c1a2805ee24504fc8830c71e80abe6 [0,1,0,0,0,0|2,0,0]=3 1559 B11R1.28 COCOCc1ccncn1 5977780fcd5de8ad874d004f7b7d968c [0,1,0,0,0,0|3,0,0]=4 1560 B11R1.28 COCOCc1ccnnc1 77d76f507816c22b30a45f128ecf1e7f [0,1,0,0,0,0|3,0,0]=4 1561 B11R1.28 COCOCc1cnccn1 6fe649a8173b64bf80af621a9eaae369 [0,1,0,0,0,0|3,0,0]=4 1562 B11R1.28 COCOCc1cncnc1 046adf1d7971f7c3d0883ef4620b9160 [0,1,0,0,0,0|3,0,0]=4 1563 B11R1.28 COCOCc1ncccn1 0812a457fd84b7c7be763e51ebbce2d3 [0,1,0,0,0,0|3,0,0]=4 1564 B11R1.28 CSCCNc1ccccc1 f8eb965b60d0615781c928cdcd30bc15 [0,1,0,0,0,0|1,1,0]=3 1565 B11R1.28 CSCCNc1ccccn1 1ebdb7d56171ddc5a7c67867cc88039f [0,1,0,0,0,0|2,1,0]=4 1566 B11R1.28 CSCCNc1cccnc1 5c27e85010b1a349b69a05e89d2c3c43 [0,1,0,0,0,0|2,1,0]=4 1567 B11R1.28 CSCCNc1ccncc1 54710d8ef290046b70669623e9f1800b [0,1,0,0,0,0|2,1,0]=4 1568 B11R1.28 CSCCOc1ccccn1 8b8b6f4f12e2bd5052045e36f5e8d7b9 [0,1,0,0,0,0|2,1,0]=4 1569 B11R1.28 CSCCOc1cccnc1 035ac2b2fc138dfaa1d6bea025347e4a [0,1,0,0,0,0|2,1,0]=4 1570 B11R1.28 CSCCOc1ccncc1 bc39eaa4e5a78fcb3ef7ff94e955c20b [0,1,0,0,0,0|2,1,0]=4 1571 B11R1.28 CSCNCc1ccccc1 5b3aef5f0ecdedc4b2903ec980e5dc72 [0,1,0,0,0,0|1,1,0]=3 1572 B11R1.28 CSCNCc1ccccn1 2c467e079eb5903cc68e04796a70abe6 [0,1,0,0,0,0|2,1,0]=4 1573 B11R1.28 CSCNCc1cccnc1 3f297bb785f90b40b12fe1a85e9c71ce [0,1,0,0,0,0|2,1,0]=4 1574 B11R1.28 CSCNCc1ccncc1 f9e31be92d2ea3f9692e6bd87f906a5c [0,1,0,0,0,0|2,1,0]=4 1575 B11R1.28 CSCOCc1ccccc1 5941de554d8996d7d45b8f8eee2daf73 [0,1,0,0,0,0|1,1,0]=3 1576 B11R1.28 CSCOCc1ccccn1 15e9634e2b7543dc2be21ac6d26f304b [0,1,0,0,0,0|2,1,0]=4 1577 B11R1.28 CSCOCc1cccnc1 43f679691f8dba66a7e0f36103db118e [0,1,0,0,0,0|2,1,0]=4 1578 B11R1.28 CSCOCc1ccncc1 11cf6b0bd99fe96e04f2abe6d07a06aa [0,1,0,0,0,0|2,1,0]=4 1579 B11R1.28 Cl/C=C/CNc1ccccc1 2c44d12ba68cdacdd9e9917c4f75a2d7 [0,1,0,0,0,0|1,0,2]=4 1580 B11R1.28 Cl/C=C\CNc1ccccc1 99831c517c8f2e8a372e55388ab37fa9 [0,1,0,0,0,0|1,0,2]=4 1581 B11R1.28 ClCCCNc1ccccc1 b7f587f82b83ca90917a5139ff536b22 [0,1,0,0,0,0|1,0,0]=2 1582 B11R1.28 ClCCCNc1ccccn1 8bdf4144e9a2a7a9c2cc08aafaf861f1 [0,1,0,0,0,0|2,0,0]=3 1583 B11R1.28 ClCCCNc1cccnc1 46d49c887f9c8f9ac001059b66aa76f9 [0,1,0,0,0,0|2,0,0]=3 1584 B11R1.28 ClCCCNc1cccnn1 7cd493fd0307f877c7e0b9f8c8e45189 [0,1,0,0,0,0|3,0,0]=4 1585 B11R1.28 ClCCCNc1ccncc1 970fb2252914a50a867c4051715341da [0,1,0,0,0,0|2,0,0]=3 1586 B11R1.28 ClCCCNc1ccncn1 ac587a599505b071e50f4eebf541374b [0,1,0,0,0,0|3,0,0]=4 1587 B11R1.28 ClCCCNc1cnccn1 95eb107627969ec22a7382f919b06d14 [0,1,0,0,0,0|3,0,0]=4 1588 B11R1.28 FCCCNc1ccccc1 b3f41abfb84c10f658d04a58ad820f46 [0,1,0,0,0,0|1,0,0]=2 1589 B11R1.28 FCCCNc1ccccn1 565f4368802921f33e165ca06a4e0884 [0,1,0,0,0,0|2,0,0]=3 1590 B11R1.28 FCCCNc1cccnc1 bf0c678c727f753f2416107c8fb7c2aa [0,1,0,0,0,0|2,0,0]=3 1591 B11R1.28 FCCCNc1cccnn1 6e324a8fc1244ec41469b42c269ee8ea [0,1,0,0,0,0|3,0,0]=4 1592 B11R1.28 FCCCNc1ccncc1 6a3cdf6587efe4480e7c908186350ce5 [0,1,0,0,0,0|2,0,0]=3 1593 B11R1.28 FCCCNc1ccncn1 caab3b2fd0ac8fd97bd0f3edbbf34bdf [0,1,0,0,0,0|3,0,0]=4 1594 B11R1.28 FCCCNc1ccnnc1 f48db7e584efb82ebea7c5bf340b2278 [0,1,0,0,0,0|3,0,0]=4 1595 B11R1.28 FCCCNc1cnccn1 89cb41b624fed856de26c1d3c4db977e [0,1,0,0,0,0|3,0,0]=4 1596 B11R1.28 FCCCNc1cncnc1 16157fe79f7e768544a202dac6ce85e5 [0,1,0,0,0,0|3,0,0]=4 1597 B11R1.28 FCCCNc1ncccn1 695e5da76682e4ec67becb120dfc7ae2 [0,1,0,0,0,0|3,0,0]=4 1598 B11R1.28 FCCCOc1ccccn1 cbed731556df3029ce519d57f9054d0b [0,1,0,0,0,0|2,0,0]=3 1599 B11R1.28 FCCCOc1cccnc1 c358cc6076a85c51e04e470481f11a56 [0,1,0,0,0,0|2,0,0]=3 1600 B11R1.28 FCCCOc1ccncc1 df30532896d176c22270c75c82382b5e [0,1,0,0,0,0|2,0,0]=3 1601 B11R1.28 FCCCOc1ccnnc1 488268d45bc2e67d36928b91c1e39bb1 [0,1,0,0,0,0|3,0,0]=4 1602 B11R1.28 FCCCOc1cnccn1 d7f32d87b8dd0b90afb5b2f6bdc7d145 [0,1,0,0,0,0|3,0,0]=4 1603 B11R1.28 FCCCOc1cncnc1 51300c3e7ca8b5ce7ef5490c2cda0a1e [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.28 FCCCOc1ncccn1 1e129a3c16af0e941eeb7d1092880417 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.28 FCCNCc1ccccc1 562ef8707f4288c2162274968d966312 [0,1,0,0,0,0|1,0,0]=2 1606 B11R1.28 FCCNCc1ccccn1 4b02ff9e4d9d7623f6691b060ab82228 [0,1,0,0,0,0|2,0,0]=3 1607 B11R1.28 FCCNCc1cccnc1 baa596bf0364075f3290f4a60a205b9b [0,1,0,0,0,0|2,0,0]=3 1608 B11R1.28 FCCNCc1cccnn1 291a8a98cca567959b610961e1bb604d [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.28 FCCNCc1ccncc1 50b686a8fc08fd5effeaeb333b2ed93d [0,1,0,0,0,0|2,0,0]=3 1610 B11R1.28 FCCNCc1ccncn1 21fdc6280eadc5e509bffdf177e16499 [0,1,0,0,0,0|3,0,0]=4 1611 B11R1.28 FCCNCc1ccnnc1 bb5e60efff217c7ff258d5a45fc9846d [0,1,0,0,0,0|3,0,0]=4 1612 B11R1.28 FCCNCc1cnccn1 05b253d67f9070c628b10cb53c6f4f1d [0,1,0,0,0,0|3,0,0]=4 1613 B11R1.28 FCCNCc1cncnc1 c4c68fd3b4466976a9f2266cb1003305 [0,1,0,0,0,0|3,0,0]=4 1614 B11R1.28 FCCNCc1ncccn1 fe78f71374bafbc7a6b6bbf36a21ea95 [0,1,0,0,0,0|3,0,0]=4 1615 B11R1.28 FCCOCc1ccccc1 d9b83bdc5263ec616987dc5988d5ee5b [0,1,0,0,0,0|1,0,0]=2 1616 B11R1.28 FCCOCc1ccccn1 eeb2239e9027d0ce3a24146b5979566a [0,1,0,0,0,0|2,0,0]=3 1617 B11R1.28 FCCOCc1cccnc1 e02a816ea65f063a58402293132849f2 [0,1,0,0,0,0|2,0,0]=3 1618 B11R1.28 FCCOCc1cccnn1 045349780ec8439f32f3c03fdcbd7c6a [0,1,0,0,0,0|3,0,0]=4 1619 B11R1.28 FCCOCc1ccncc1 14445d664118b43034c3d85510da7389 [0,1,0,0,0,0|2,0,0]=3 1620 B11R1.28 FCCOCc1ccncn1 e7653e1637306c85ddbb0f8377c4534f [0,1,0,0,0,0|3,0,0]=4 1621 B11R1.28 FCCOCc1ccnnc1 dfc567c123528317030f45e3d544fcb6 [0,1,0,0,0,0|3,0,0]=4 1622 B11R1.28 FCCOCc1cnccn1 d58701cb88fb9b58fb6be6651fc4e38c [0,1,0,0,0,0|3,0,0]=4 1623 B11R1.28 FCCOCc1cncnc1 88a5cfdf346b1dff1f381c1ce53462ae [0,1,0,0,0,0|3,0,0]=4 1624 B11R1.28 FCCOCc1ncccn1 2ffa7486bad59fae35764fd3cd997651 [0,1,0,0,0,0|3,0,0]=4 1625 B11R1.28 FCNCCc1ccccc1 0081f6dcce701ffe77378524f92f490b [0,1,0,0,0,0|1,0,0]=2 1626 B11R1.28 FCNCCc1ccccn1 e15d9eaa28b96f67f0199ee7ab918bb8 [0,1,0,0,0,0|2,0,0]=3 1627 B11R1.28 FCNCCc1cccnc1 ca44ff0aa2770a7476d8fe29ab7de27f [0,1,0,0,0,0|2,0,0]=3 1628 B11R1.28 FCNCCc1ccncc1 534789a7dc9aa58bac25bdd251ebaa53 [0,1,0,0,0,0|2,0,0]=3 1629 B11R1.28 FCNCCc1ccncn1 71d87b99838316558ab41f74e7a6ad39 [0,1,0,0,0,0|3,0,0]=4 1630 B11R1.28 FCNCCc1cnccn1 a6fff95115e37691aedec5697188885d [0,1,0,0,0,0|3,0,0]=4 1631 B11R1.28 FCNCCc1ncccn1 d4c74a64550de3aecd897af5dda17e37 [0,1,0,0,0,0|3,0,0]=4 1632 B11R1.28 FCOCCc1ccccc1 f68582be9a805c98452f747e5a13d902 [0,1,0,0,0,0|1,0,0]=2 1633 B11R1.28 FCOCCc1ccccn1 a87eac3bbe6c96cceb2ad793702bad9f [0,1,0,0,0,0|2,0,0]=3 1634 B11R1.28 FCOCCc1cccnc1 95fb7ccc93ac5365251261a770f3e438 [0,1,0,0,0,0|2,0,0]=3 1635 B11R1.28 FCOCCc1ccncc1 6e5a2cb5c96fa3a2dd4f846c43af9a9a [0,1,0,0,0,0|2,0,0]=3 1636 B11R1.28 FCOCCc1ccncn1 42f65ea3fce13080ce28dc59f0361160 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.28 FCOCCc1cnccn1 b992c651bab7313204deb41b6e2eb885 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.28 FCOCCc1cncnc1 2fe7d2e827bd728741093e1440e71b30 [0,1,0,0,0,0|3,0,0]=4 1639 B11R1.28 FCOCCc1ncccn1 b64c0291aeb618931da15052e46cee6a [0,1,0,0,0,0|3,0,0]=4 1640 B11R1.28 ICCNCc1ccccc1 697ca1617b546014ae02b06ad2981d8a [0,1,0,0,0,0|1,0,0]=2 1641 B11R1.28 ICCNCc1ccccn1 33a419599dd52be8486dfb89562c6ffa [0,1,0,0,0,0|2,0,0]=3 1642 B11R1.28 ICCNCc1cccnc1 7ed4e3e46a4c12f8a4c531489f3ab39c [0,1,0,0,0,0|2,0,0]=3 1643 B11R1.28 ICCNCc1cccnn1 a65e7073d95b405ffeccc2df6f5819a9 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.28 ICCNCc1ccncn1 cb4d0636a2fe5fa6f01a666a20ee081a [0,1,0,0,0,0|3,0,0]=4 1645 B11R1.28 ICCNCc1cncnc1 7d3103d153c4429e89c8614a5eb00405 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.28 ICCNCc1ncccn1 488d37e468cbbb4c7fd896e124054349 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.28 N#CCCNc1ccccc1 11cc2433e70294ae10477f88fd0e31d0 [0,1,0,0,0,0|1,0,1]=3 1648 B11R1.28 N#CCCNc1ccccn1 9e13b9df3de22e2203631765bbe95860 [0,1,0,0,0,0|2,0,1]=4 1649 B11R1.28 N#CCCNc1cccnc1 1e4f0247aa286b4881fa8010d02a431f [0,1,0,0,0,0|2,0,1]=4 1650 B11R1.28 N#CCCNc1ccncc1 c61c3df5760677889da84225dea3f0ff [0,1,0,0,0,0|2,0,1]=4 1651 B11R1.28 N#CCCOc1ccccn1 bd7f580d381a306ac6216b8462276232 [0,1,0,0,0,0|2,0,1]=4 1652 B11R1.28 N#CCCOc1cccnc1 1dc0c0c73c96168d9f4eeed5e2274bb9 [0,1,0,0,0,0|2,0,1]=4 1653 B11R1.28 N#CCCOc1ccncc1 dc8687d62c15bde06adfae60d1f7c483 [0,1,0,0,0,0|2,0,1]=4 1654 B11R1.28 N#CCNCc1ccccc1 f23a3b4a1088925db39a0117b8e4d4c1 [0,1,0,0,0,0|1,0,1]=3 1655 B11R1.28 N#CCNCc1ccccn1 b05b586b32bb564b4dc4c2b5f1c2deb2 [0,1,0,0,0,0|2,0,1]=4 1656 B11R1.28 N#CCNCc1cccnc1 7a0aea235690da4baa75cb6725d4f197 [0,1,0,0,0,0|2,0,1]=4 1657 B11R1.28 N#CCNCc1ccncc1 79b0820e89e9a95eb99e7b7525dfd122 [0,1,0,0,0,0|2,0,1]=4 1658 B11R1.28 N#CCOCc1ccccc1 c6fb0c0fa9f97c70e5fbc997cccd1b4f [0,1,0,0,0,0|1,0,1]=3 1659 B11R1.28 N#CCOCc1ccccn1 a0088b244471bb1db944b031bb167833 [0,1,0,0,0,0|2,0,1]=4 1660 B11R1.28 N#CCOCc1cccnc1 b3dbf4398f9363b93659a5906cdd8669 [0,1,0,0,0,0|2,0,1]=4 1661 B11R1.28 N#CCOCc1ccncc1 de49fef888edd4915bd094d8ae7d06aa [0,1,0,0,0,0|2,0,1]=4 1662 B11R1.28 N#CNCCc1ccccc1 cc0f6fa18b1c1eb0550ef90401294e13 [0,1,0,0,0,0|1,0,1]=3 1663 B11R1.28 N#CNCCc1ccccn1 6a52f53dd6b8c94fd37432a5813238ef [0,1,0,0,0,0|2,0,1]=4 1664 B11R1.28 N#CNCCc1cccnc1 f0c5d03a6f657080b74ba5a11f7b4a9a [0,1,0,0,0,0|2,0,1]=4 1665 B11R1.28 N#CNCCc1ccncc1 45214e3075259d9d556e019a6c6cd68b [0,1,0,0,0,0|2,0,1]=4 1666 B11R1.28 NOCCNc1ccccc1 6c5b7062e9d75a57daf03317347aff96 [0,1,0,0,0,0|1,0,0]=2 1667 B11R1.28 NOCCNc1ccccn1 e682b49988380a8ee2db570ecbf6f017 [0,1,0,0,0,0|2,0,0]=3 1668 B11R1.28 NOCCNc1cccnc1 5721f45685d149370a94b93edd914a85 [0,1,0,0,0,0|2,0,0]=3 1669 B11R1.28 NOCCNc1cccnn1 bf9d9972d6e75e9141266ca2d4358a63 [0,1,0,0,0,0|3,0,0]=4 1670 B11R1.28 NOCCNc1ccncc1 dbc7f0b0ff4b2266b3814bdc52c6fe58 [0,1,0,0,0,0|2,0,0]=3 1671 B11R1.28 NOCCNc1ccncn1 150a0aeb6f4a3b1f9ad7ed40ae2fddea [0,1,0,0,0,0|3,0,0]=4 1672 B11R1.28 NOCCNc1ccnnc1 12d79462c3db44e63ae64f7a6aa377ef [0,1,0,0,0,0|3,0,0]=4 1673 B11R1.28 NOCCNc1cnccn1 bb456b35dd039c8fd0aa232b7f0c9c37 [0,1,0,0,0,0|3,0,0]=4 1674 B11R1.28 NOCCNc1ncccn1 848cae5d0065999fbbfea31d92521fb0 [0,1,0,0,0,0|3,0,0]=4 1675 B11R1.28 O/C=C\CNc1ccccc1 8e43d75b756e053c042884ec195cf7a7 [0,1,0,0,0,0|0,0,2]=3 1676 B11R1.28 O/C=C\CNc1ccccn1 8552c5b8053856ab2aa5ee1e23f07468 [0,1,0,0,0,0|1,0,2]=4 1677 B11R1.28 O/C=C\CNc1cccnc1 de9757e1e7a0fdccd35f1dc1824af66e [0,1,0,0,0,0|1,0,2]=4 1678 B11R1.28 O/C=C\CNc1ccncc1 9460f02521a31c56dbc0ee24015cbd53 [0,1,0,0,0,0|1,0,2]=4 1679 B11R1.28 O=CCCNc1ccccc1 5adfd28b693cf17e4441c0e8b873a1f0 [0,1,0,0,0,0|0,0,2]=3 1680 B11R1.28 O=CCCNc1ccccn1 a0dc64366680f7288fe7bdf7cc671acd [0,1,0,0,0,0|1,0,2]=4 1681 B11R1.28 O=CCCNc1cccnc1 a3473d91dffc2b66146c1b6c0418e707 [0,1,0,0,0,0|1,0,2]=4 1682 B11R1.28 O=CCCNc1ccncc1 4706f2b70c0aff88cc0791a4ee67b10e [0,1,0,0,0,0|1,0,2]=4 1683 B11R1.28 O=CCCOc1ccccn1 a44954cc28e77e68c48d11a6e381d2ee [0,1,0,0,0,0|1,0,2]=4 1684 B11R1.28 O=CCCOc1cccnc1 64cc5400112f41984e6db154e0d162bd [0,1,0,0,0,0|1,0,2]=4 1685 B11R1.28 O=CCCOc1ccncc1 200185df0538b49d2032c68006d26175 [0,1,0,0,0,0|1,0,2]=4 1686 B11R1.28 O=CCNCc1ccccc1 2b4b8121ff6ad050b40b87d13d8f5a1a [0,1,0,0,0,0|0,0,2]=3 1687 B11R1.28 O=CCNCc1ccccn1 e205fc2dfe1b7f5a0d5f0647f95b66cb [0,1,0,0,0,0|1,0,2]=4 1688 B11R1.28 O=CCNCc1cccnc1 71156a498cf22bdb96a0af181206c6a0 [0,1,0,0,0,0|1,0,2]=4 1689 B11R1.28 O=CCNCc1ccncc1 9810920521153204a9758a4f25736f12 [0,1,0,0,0,0|1,0,2]=4 1690 B11R1.28 O=CCOCc1ccccc1 7bd4c1ac5902422e7c3cafad9115c4f2 [0,1,0,0,0,0|0,0,2]=3 1691 B11R1.28 O=CCOCc1ccccn1 a6f535e6c372012997e3b2297923fbfc [0,1,0,0,0,0|1,0,2]=4 1692 B11R1.28 O=CCOCc1cccnc1 1483cff9cc1509b24b62f7b70d468a72 [0,1,0,0,0,0|1,0,2]=4 1693 B11R1.28 O=CCOCc1ccncc1 c2ef5d9ef1d6347a7cd0814cdf9f79a1 [0,1,0,0,0,0|1,0,2]=4 1694 B11R1.28 O=CNCCc1ccccc1 d1fab3f35b45ae0bc45cf7bf9f19384c [0,1,0,0,0,0|0,0,2]=3 1695 B11R1.28 O=CNCCc1ccccn1 36fb465b4a699ed2860619296ed044a4 [0,1,0,0,0,0|1,0,2]=4 1696 B11R1.28 O=CNCCc1cccnc1 5111296cce1960f11ad77b3eaf87d913 [0,1,0,0,0,0|1,0,2]=4 1697 B11R1.28 O=CNCCc1ccncc1 5e83eff0a4bbf0070c01463bdeac3941 [0,1,0,0,0,0|1,0,2]=4 1698 B11R1.28 OCCCNc1ccccc1 6f65c15387fc952c20110ea29ef53956 [0,1,0,0,0,0|0,0,0]=1 1699 B11R1.28 OCCCNc1ccccn1 587693fe3960ae4ed00c51618661aeab [0,1,0,0,0,0|1,0,0]=2 1700 B11R1.28 OCCCNc1cccnc1 90b07b63ba2da4339e6031d93f7df208 [0,1,0,0,0,0|1,0,0]=2 1701 B11R1.28 OCCCNc1cccnn1 247aa2fcb6c99ae0f56cb06724ac3034 [0,1,0,0,0,0|2,0,0]=3 1702 B11R1.28 OCCCNc1ccncc1 7676a46d9ab85382fda372d12f0ec436 [0,1,0,0,0,0|1,0,0]=2 1703 B11R1.28 OCCCNc1ccncn1 8f8e0fe811bf9371817f728d08c59f5f [0,1,0,0,0,0|2,0,0]=3 1704 B11R1.28 OCCCNc1ccnnc1 14a18a2253a6a9e0d46f0f1c7fc618ae [0,1,0,0,0,0|2,0,0]=3 1705 B11R1.28 OCCCNc1cnccn1 394ab3fd80b46dcc8203d15389985779 [0,1,0,0,0,0|2,0,0]=3 1706 B11R1.28 OCCCNc1cncnc1 8445dccdce1bef71ff1db635903cefb8 [0,1,0,0,0,0|2,0,0]=3 1707 B11R1.28 OCCCNc1cnncn1 82a90744d3f091f67bc82d039cba59a8 [0,1,0,0,0,0|3,0,0]=4 1708 B11R1.28 OCCCNc1ncccn1 1db3dee2f5e622c36a01a6f642b42373 [0,1,0,0,0,0|2,0,0]=3 1709 B11R1.28 OCCCNc1nccnn1 5bd6014ecbd097f99153afdf98ebbe7a [0,1,0,0,0,0|3,0,0]=4 1710 B11R1.28 OCCCNc1ncncn1 6d56ec45f05b8cf3722b4ebaf9ab08c8 [0,1,0,0,0,0|3,0,0]=4 1711 B11R1.28 OCCNCc1ccccc1 6075728aab81556d5096d2980e4afa2d [0,1,0,0,0,0|0,0,0]=1 1712 B11R1.28 OCCNCc1ccccn1 aee8d8851b64ae441b47dd7c19255c9b [0,1,0,0,0,0|1,0,0]=2 1713 B11R1.28 OCCNCc1cccnc1 882a81680203d781920d7144e525a6cd [0,1,0,0,0,0|1,0,0]=2 1714 B11R1.28 OCCNCc1cccnn1 e41c460ec8467c13b31f38e40901bc04 [0,1,0,0,0,0|2,0,0]=3 1715 B11R1.28 OCCNCc1ccncc1 9ecc8a72acff6784c82756ff768b065d [0,1,0,0,0,0|1,0,0]=2 1716 B11R1.28 OCCNCc1ccncn1 fef527a9dde408a7b55664eab4f2eb99 [0,1,0,0,0,0|2,0,0]=3 1717 B11R1.28 OCCNCc1ccnnc1 f4386b298971cd36b164bebcf2929040 [0,1,0,0,0,0|2,0,0]=3 1718 B11R1.28 OCCNCc1cnccn1 2ee89dc8c04206d44948d3c79c8e8f8a [0,1,0,0,0,0|2,0,0]=3 1719 B11R1.28 OCCNCc1cncnc1 8015e7e3ea00625cbc8df3281a43f01a [0,1,0,0,0,0|2,0,0]=3 1720 B11R1.28 OCCNCc1ncccn1 34cde4fdd469b9280baca8a787271f1f [0,1,0,0,0,0|2,0,0]=3 1721 B11R1.28 OCNCCc1ccccc1 dba1af705064b03a49f56a10af922b9a [0,1,0,0,0,0|0,0,0]=1 1722 B11R1.28 OCNCCc1ccccn1 870a6b93d6f817d2b7b76ee4a753e49e [0,1,0,0,0,0|1,0,0]=2 1723 B11R1.28 OCNCCc1cccnc1 5a238842d821729331c809bafe95118a [0,1,0,0,0,0|1,0,0]=2 1724 B11R1.28 OCNCCc1ccncc1 d4fdef2a16a1c89c93b39a7d349558eb [0,1,0,0,0,0|1,0,0]=2 1725 B11R1.28 OCNCCc1ccncn1 6744261abdd24d42c96fea72d14f993a [0,1,0,0,0,0|2,0,0]=3 1726 B11R1.28 OCNCCc1cnccn1 f4950c420442047f83981ab203d27aa5 [0,1,0,0,0,0|2,0,0]=3 1727 B11R1.28 OCNCCc1ncccn1 ef945efe9c2fffc4c52fc2c7c7ec1101 [0,1,0,0,0,0|2,0,0]=3 1728 B11R1.28 SCCCNc1ccccc1 0ed9842b503e3cd70fca4624b001f5d8 [0,1,0,0,0,0|0,1,0]=2 1729 B11R1.28 SCCCNc1ccccn1 6e9255137fb1e7130c483b51e209e603 [0,1,0,0,0,0|1,1,0]=3 1730 B11R1.28 SCCCNc1cccnc1 9d7b88e69ec7c6b34ca7771b6e0b91e4 [0,1,0,0,0,0|1,1,0]=3 1731 B11R1.28 SCCCNc1cccnn1 baec61a9713dff8daf3ca7c4cac6b808 [0,1,0,0,0,0|2,1,0]=4 1732 B11R1.28 SCCCNc1ccncc1 ca21b760b7ec316b64d15f3538d2549c [0,1,0,0,0,0|1,1,0]=3 1733 B11R1.28 SCCCNc1ccncn1 840adef22daf6a19933e217bb9a9f500 [0,1,0,0,0,0|2,1,0]=4 1734 B11R1.28 SCCCNc1ccnnc1 9e34b7742082cd0e9830643662fa10b8 [0,1,0,0,0,0|2,1,0]=4 1735 B11R1.28 SCCCNc1cnccn1 272fd3f48e11eac14ab86db0420f1e23 [0,1,0,0,0,0|2,1,0]=4 1736 B11R1.28 SCCCNc1cncnc1 48c1b8cf80a92f279226be1b6843e2c4 [0,1,0,0,0,0|2,1,0]=4 1737 B11R1.28 SCCCNc1ncccn1 06ea00dc6a5489dd4165dd3a53aabc49 [0,1,0,0,0,0|2,1,0]=4 1738 B11R1.28 SCCCOc1ccccn1 a6c411fcae0c9e021a422469b3fdfe87 [0,1,0,0,0,0|1,1,0]=3 1739 B11R1.28 SCCCOc1cccnc1 134743f8f7a869616fe16d61afd2d0e6 [0,1,0,0,0,0|1,1,0]=3 1740 B11R1.28 SCCCOc1ccncc1 e86746acf63686675a8e18fe26221a62 [0,1,0,0,0,0|1,1,0]=3 1741 B11R1.28 SCCCOc1ccnnc1 6956bf001186c153cb25e015fa9b7706 [0,1,0,0,0,0|2,1,0]=4 1742 B11R1.28 SCCCOc1cnccn1 49e064e5a2490e0ef11744b13f45f2e7 [0,1,0,0,0,0|2,1,0]=4 1743 B11R1.28 SCCCOc1cncnc1 aebd6284bb29ce013df44c0dd09bb925 [0,1,0,0,0,0|2,1,0]=4 1744 B11R1.28 SCCCOc1ncccn1 51d8883d2c462ce976a6488d9e24f6d0 [0,1,0,0,0,0|2,1,0]=4 1745 B11R1.28 SCCNCc1ccccc1 842b711568e585283783756ca8279842 [0,1,0,0,0,0|0,1,0]=2 1746 B11R1.28 SCCNCc1ccccn1 ace948b27200a431fbd41a7ba53deb87 [0,1,0,0,0,0|1,1,0]=3 1747 B11R1.28 SCCNCc1cccnc1 8ab6cc5726329dc3b917c71b0e8e3a12 [0,1,0,0,0,0|1,1,0]=3 1748 B11R1.28 SCCNCc1cccnn1 b36fb77d560218cb054ebe8a417fefed [0,1,0,0,0,0|2,1,0]=4 1749 B11R1.28 SCCNCc1ccncc1 3b6ef2e293d7e6f2b9cd175d9cbecd46 [0,1,0,0,0,0|1,1,0]=3 1750 B11R1.28 SCCNCc1ccncn1 d0b375d31e920fe44bab2977f5737d48 [0,1,0,0,0,0|2,1,0]=4 1751 B11R1.28 SCCNCc1ccnnc1 2a921a8dc3a1f8003794bc495ad3cc63 [0,1,0,0,0,0|2,1,0]=4 1752 B11R1.28 SCCNCc1cnccn1 229e48027f123997f1a159293a108938 [0,1,0,0,0,0|2,1,0]=4 1753 B11R1.28 SCCNCc1cncnc1 48a81c6f9e7c197b01f3bc162f76f7e1 [0,1,0,0,0,0|2,1,0]=4 1754 B11R1.28 SCCNCc1ncccn1 6eea8a1d6f1d5c9341f6412e98660e00 [0,1,0,0,0,0|2,1,0]=4 1755 B11R1.28 SCCOCc1ccccc1 ef1d3bfcf77b316513e3e84b7d85c143 [0,1,0,0,0,0|0,1,0]=2 1756 B11R1.28 SCCOCc1ccccn1 922bd68bb819886f081031e9f73951e2 [0,1,0,0,0,0|1,1,0]=3 1757 B11R1.28 SCCOCc1cccnc1 c1c52e309e8814a28fb8d713bda79484 [0,1,0,0,0,0|1,1,0]=3 1758 B11R1.28 SCCOCc1cccnn1 6ff44a6505ccdc24e6801274e14d128b [0,1,0,0,0,0|2,1,0]=4 1759 B11R1.28 SCCOCc1ccncc1 5a71ae8d634b1ad8f983b65a8abfb1e3 [0,1,0,0,0,0|1,1,0]=3 1760 B11R1.28 SCCOCc1ccncn1 fc7035ecc1107a6ac0dd57d9c8565b14 [0,1,0,0,0,0|2,1,0]=4 1761 B11R1.28 SCCOCc1ccnnc1 9b0b9579c18fdeca353e611a4f0bcb77 [0,1,0,0,0,0|2,1,0]=4 1762 B11R1.28 SCCOCc1cnccn1 263e375ea74000ad515cd81e03dc4781 [0,1,0,0,0,0|2,1,0]=4 1763 B11R1.28 SCCOCc1cncnc1 a53b49abaf6c7966cd03d1504a1a07c9 [0,1,0,0,0,0|2,1,0]=4 1764 B11R1.28 SCCOCc1ncccn1 164e82fcb3d17b4838dc1f7f9320f31e [0,1,0,0,0,0|2,1,0]=4 1765 B11R1.40 C=CC(C)Nc1ccccc1 11c4f91eafeb8b3d7c22c97a0ea92d57 [0,1,0,0,0,0|2,0,1]=4 1766 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [0,1,0,0,0,0|1,0,2]=4 1767 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [0,1,0,0,0,0|1,0,0]=2 1768 B11R1.40 CC(CO)Nc1ccccn1 2e21620844440b7bb083395c24fa5d12 [0,1,0,0,0,0|2,0,0]=3 1769 B11R1.40 CC(CO)Nc1cccnc1 1993973453fc1c9eb0295a2e45197541 [0,1,0,0,0,0|2,0,0]=3 1770 B11R1.40 CC(CO)Nc1cccnn1 fb9d6dc59f436ead150c6d9d000776a9 [0,1,0,0,0,0|3,0,0]=4 1771 B11R1.40 CC(CO)Nc1ccncc1 014df859a1aaecd67e68db71b7c7ef69 [0,1,0,0,0,0|2,0,0]=3 1772 B11R1.40 CC(CO)Nc1ccncn1 17796906879bf0ae2e98e2bf5752eab1 [0,1,0,0,0,0|3,0,0]=4 1773 B11R1.40 CC(CO)Nc1ccnnc1 a72883531d0bea58a80b868b64a69708 [0,1,0,0,0,0|3,0,0]=4 1774 B11R1.40 CC(CO)Nc1cnccn1 bca12c198f8b3dcf3474883c473e477a [0,1,0,0,0,0|3,0,0]=4 1775 B11R1.40 CC(CO)Nc1ncccn1 4d59a1eb8aab40cf3c337bc82e555d91 [0,1,0,0,0,0|3,0,0]=4 1776 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [0,1,0,0,0,0|2,0,0]=3 1777 B11R1.40 CCC(C)Nc1ccccn1 bb895d27f1d9ed94ab4cd5f93b01f0bd [0,1,0,0,0,0|3,0,0]=4 1778 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [0,1,0,0,0,0|3,0,0]=4 1779 B11R1.40 CCC(C)Nc1ccncc1 8150e11adca204128a3ae62428597250 [0,1,0,0,0,0|3,0,0]=4 1780 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [0,1,0,0,0,0|3,0,0]=4 1782 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [0,1,0,0,0,0|2,0,0]=3 1784 B11R1.40 CCN(C)Cc1ccccn1 e347cf6623c9ce49a1c94570b5d3844c [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.40 CCN(C)Cc1cccnc1 69e9bc72fe902e2c097b1bc797c43254 [0,1,0,0,0,0|3,0,0]=4 1786 B11R1.40 CCN(C)Cc1ccncc1 ebfb44d53a95f23536771c3c1b41adfd [0,1,0,0,0,0|3,0,0]=4 1787 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [0,1,0,0,0,0|2,0,0]=3 1788 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [0,1,0,0,0,0|3,0,0]=4 1789 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [0,1,0,0,0,0|2,0,0]=3 1790 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [0,1,0,0,0,0|3,0,0]=4 1791 B11R1.40 CN(C=O)Cc1ccccc1 701ed8237afa851586621908f176512f [0,1,0,0,0,0|1,0,2]=4 1792 B11R1.40 CN(CF)Cc1ccccc1 5e57d186c6f316353ffa6c809cb61d75 [0,1,0,0,0,0|2,0,0]=3 1793 B11R1.40 CN(CF)Cc1ccccn1 0fb6d4fca1ae3b36d4aab61bd5289947 [0,1,0,0,0,0|3,0,0]=4 1794 B11R1.40 CN(CF)Cc1cccnc1 da4d9171379b3361244699d43a3a0472 [0,1,0,0,0,0|3,0,0]=4 1795 B11R1.40 CN(CF)Cc1ccncc1 81b0e7813544135aff8022710b2af4c1 [0,1,0,0,0,0|3,0,0]=4 1796 B11R1.40 CN(CO)Cc1ccccc1 c1d08d2d2c7de731954ebcb428d333e2 [0,1,0,0,0,0|1,0,0]=2 1797 B11R1.40 CN(CO)Cc1ccccn1 a4ef6b4247ef0972f7871752389806bb [0,1,0,0,0,0|2,0,0]=3 1798 B11R1.40 CN(CO)Cc1cccnc1 bdae5dd3c0107b4a15ddef98331c4b4c [0,1,0,0,0,0|2,0,0]=3 1799 B11R1.40 CN(CO)Cc1ccncc1 82d474736717cd4ad3b664282e77f89c [0,1,0,0,0,0|2,0,0]=3 1800 B11R1.40 CN(CO)Cc1ccnnc1 5b5084de478571a9b183e9e107f59626 [0,1,0,0,0,0|3,0,0]=4 1801 B11R1.40 CN(CO)Cc1cnccn1 2612be83cbdd1e0199b6ab3c39c473bd [0,1,0,0,0,0|3,0,0]=4 1802 B11R1.40 CN(CO)Cc1cncnc1 f9d411a7c93fec4cd466924cbeb5df6d [0,1,0,0,0,0|3,0,0]=4 1803 B11R1.40 CN(CO)Cc1ncccn1 d2e6cdb99546d030361354de18b50e58 [0,1,0,0,0,0|3,0,0]=4 1804 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [0,1,0,0,0,0|1,0,0]=2 1805 B11R1.40 C[C@@H](CO)Nc1ccccn1 9ac7427612f5553e5180ee81712e35fd [0,1,0,0,0,0|2,0,0]=3 1806 B11R1.40 C[C@@H](CO)Nc1cccnc1 b4b83540aa924934ce25b37024c4f475 [0,1,0,0,0,0|2,0,0]=3 1807 B11R1.40 C[C@@H](CO)Nc1cccnn1 9f042c1373662f7bcf04444b6615ba81 [0,1,0,0,0,0|3,0,0]=4 1808 B11R1.40 C[C@@H](CO)Nc1ccncc1 495de922b28b07b689b24b08a715b1b6 [0,1,0,0,0,0|2,0,0]=3 1809 B11R1.40 C[C@@H](CO)Nc1ccncn1 f1c1e7e380ed6f20077393c2ea15133a [0,1,0,0,0,0|3,0,0]=4 1810 B11R1.40 C[C@@H](CO)Nc1ccnnc1 315cca37f2c47b9fb75c2b878b513097 [0,1,0,0,0,0|3,0,0]=4 1811 B11R1.40 C[C@@H](CO)Nc1cnccn1 54f606e098d7069b6301fbd7ff24023c [0,1,0,0,0,0|3,0,0]=4 1812 B11R1.40 C[C@@H](CO)Nc1ncccn1 988a0651b7d8579b146b11e4192aa15f [0,1,0,0,0,0|3,0,0]=4 1813 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [0,1,0,0,0,0|1,0,2]=4 1814 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [0,1,0,0,0,0|1,0,0]=2 1815 B11R1.40 C[C@H](CO)Nc1ccccn1 01d2d5e2403842048f8ac810f41680f1 [0,1,0,0,0,0|2,0,0]=3 1816 B11R1.40 C[C@H](CO)Nc1cccnc1 0388d126da012bf4a1e005fb7424e864 [0,1,0,0,0,0|2,0,0]=3 1817 B11R1.40 C[C@H](CO)Nc1cccnn1 d9e3b155afcba651747dae7b699586f7 [0,1,0,0,0,0|3,0,0]=4 1818 B11R1.40 C[C@H](CO)Nc1ccncc1 12aec410035ef0ee1b8933a8e56e1a8b [0,1,0,0,0,0|2,0,0]=3 1819 B11R1.40 C[C@H](CO)Nc1ccncn1 954fbcce3b9b09c9016cc6cd2015a51e [0,1,0,0,0,0|3,0,0]=4 1820 B11R1.40 C[C@H](CO)Nc1ccnnc1 3563e889d7f294b8bea1b38e886331c4 [0,1,0,0,0,0|3,0,0]=4 1821 B11R1.40 C[C@H](CO)Nc1cnccn1 ad67c5623bc833af0ed62e39411a7055 [0,1,0,0,0,0|3,0,0]=4 1822 B11R1.40 C[C@H](CO)Nc1ncccn1 96711dc91f089457a6603118d153ab8c [0,1,0,0,0,0|3,0,0]=4 1823 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,1,0,0,0,0|2,0,1]=4 1824 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,1,0,0,0,0|2,0,1]=4 1825 B11R1.91 C=C(Br)CNc1ccccc1 93ec6105ca168468e9c8838717ff6b1e [0,1,0,0,0,0|2,0,1]=4 1826 B11R1.91 C=C(C)CNc1ccccc1 9ff030153dc2dcaf07d1da3f9e6a073f [0,1,0,0,0,0|2,0,1]=4 1827 B11R1.91 C=C(Cl)CNc1ccccc1 e3c53739f614fbc554b5ed591e111126 [0,1,0,0,0,0|2,0,1]=4 1828 B11R1.91 C=C(F)CNc1ccccc1 aea10c9376159512fe2427e907c2a329 [0,1,0,0,0,0|2,0,1]=4 1829 B11R1.91 CC(=O)CNc1ccccc1 71a2fb3da6b0e889c13cfd81e73bd182 [0,1,0,0,0,0|1,0,2]=4 1830 B11R1.91 CC(=O)NCc1ccccc1 29a87354e4243d3817f046f8152f971d [0,1,0,0,0,0|1,0,2]=4 1831 B11R1.91 CC(C)CNc1ccccc1 408d8a64ab70f9eca096d81d546b6049 [0,1,0,0,0,0|2,0,0]=3 1832 B11R1.91 CC(C)CNc1ccccn1 7b009ca04377ecc13f70ec3cf4ebfeda [0,1,0,0,0,0|3,0,0]=4 1833 B11R1.91 CC(C)CNc1cccnc1 872c17275baf8dfc3e3fcfc1c6e8b0aa [0,1,0,0,0,0|3,0,0]=4 1834 B11R1.91 CC(C)CNc1ccncc1 25b00c7dc1cdd402497940b3c77292de [0,1,0,0,0,0|3,0,0]=4 1835 B11R1.91 CC(C)COc1ccccn1 7b0823f232ca75667ab72b773cf2055c [0,1,0,0,0,0|3,0,0]=4 1836 B11R1.91 CC(C)COc1cccnc1 639764ab0bac28311f80a0c1092bb51e [0,1,0,0,0,0|3,0,0]=4 1837 B11R1.91 CC(C)COc1ccncc1 f219312091f37b23472c98e305cf03a6 [0,1,0,0,0,0|3,0,0]=4 1838 B11R1.91 CC(C)NCc1ccccc1 60272e3c9303882f29d21331dcab1491 [0,1,0,0,0,0|2,0,0]=3 1839 B11R1.91 CC(C)NCc1ccccn1 856545f5d02de0038284fed0716bf52b [0,1,0,0,0,0|3,0,0]=4 1840 B11R1.91 CC(C)NCc1cccnc1 f83c1668bc1a0795e6062eecd9dab4fd [0,1,0,0,0,0|3,0,0]=4 1841 B11R1.91 CC(C)NCc1ccncc1 6f1dfa66543bb67ac78a3a333bf46a66 [0,1,0,0,0,0|3,0,0]=4 1842 B11R1.91 CC(C)OCc1ccccc1 7aa508df1117d05227b589ad5630d192 [0,1,0,0,0,0|2,0,0]=3 1843 B11R1.91 CC(C)OCc1ccccn1 0763eb944dcd10bf40a6049a3281f0fa [0,1,0,0,0,0|3,0,0]=4 1844 B11R1.91 CC(C)OCc1cccnc1 15bee2bbdfea4851383d51503cc56958 [0,1,0,0,0,0|3,0,0]=4 1845 B11R1.91 CC(C)OCc1ccncc1 6b799cfffcfa8445d7523666b8d1a250 [0,1,0,0,0,0|3,0,0]=4 1846 B11R1.91 CC(O)CNc1ccccc1 bad1b8ce4c3d0d43f36328d30e7f1e89 [0,1,0,0,0,0|1,0,0]=2 1847 B11R1.91 CC(O)CNc1ccccn1 0b02a9fc805d3fdc80aa58b252d76fac [0,1,0,0,0,0|2,0,0]=3 1848 B11R1.91 CC(O)CNc1cccnc1 be948b4ea22210c06fa11f5ff0c44d9b [0,1,0,0,0,0|2,0,0]=3 1849 B11R1.91 CC(O)CNc1cccnn1 e8550c43b60b9bd9029917d25ea6398c [0,1,0,0,0,0|3,0,0]=4 1850 B11R1.91 CC(O)CNc1ccncc1 58a36af31ee3d9178a47f4e2f681d20e [0,1,0,0,0,0|2,0,0]=3 1851 B11R1.91 CC(O)CNc1ccncn1 87e78bbdc595709f51d9a8bdf7f2897c [0,1,0,0,0,0|3,0,0]=4 1852 B11R1.91 CC(O)CNc1ccnnc1 ab88da5307d11b10e2373643d8ebb95d [0,1,0,0,0,0|3,0,0]=4 1853 B11R1.91 CC(O)CNc1cnccn1 f991222b12e39f41fc4f22d1360207a1 [0,1,0,0,0,0|3,0,0]=4 1854 B11R1.91 CC(O)CNc1cncnc1 9fc5976bef6d9ef64c8d846f37ba79d4 [0,1,0,0,0,0|3,0,0]=4 1855 B11R1.91 CC(O)CNc1ncccn1 b6f7059776643b68745371242f2eebca [0,1,0,0,0,0|3,0,0]=4 1856 B11R1.91 CN(C)CNc1ccccc1 6ea2b21a530eb73fceed274bf1825a42 [0,1,0,0,0,0|3,0,0]=4 1857 B11R1.91 C[C@@H](O)CNc1ccccc1 3364bd989574177eabc4c47575206f02 [0,1,0,0,0,0|1,0,0]=2 1858 B11R1.91 C[C@@H](O)CNc1ccccn1 2f50c5c35f8b03d00f3a417683f2e1c8 [0,1,0,0,0,0|2,0,0]=3 1859 B11R1.91 C[C@@H](O)CNc1cccnc1 0269da8e8da5f2bc75323d1a7b31953c [0,1,0,0,0,0|2,0,0]=3 1860 B11R1.91 C[C@@H](O)CNc1cccnn1 6d7b3599ec55158b05cb5aa4687b61f0 [0,1,0,0,0,0|3,0,0]=4 1861 B11R1.91 C[C@@H](O)CNc1ccncc1 a759ad58b644a21887782ccec01db51a [0,1,0,0,0,0|2,0,0]=3 1862 B11R1.91 C[C@@H](O)CNc1ccncn1 b017b3dcb881e43eb2f919cb0bf0d312 [0,1,0,0,0,0|3,0,0]=4 1863 B11R1.91 C[C@@H](O)CNc1ccnnc1 fc7aeafa26d135bbab6fad8fb9254eca [0,1,0,0,0,0|3,0,0]=4 1864 B11R1.91 C[C@@H](O)CNc1cnccn1 eefedac70fb9e61b84978ca5f31e1024 [0,1,0,0,0,0|3,0,0]=4 1865 B11R1.91 C[C@@H](O)CNc1ncccn1 ec34d1470851807c1662c266c1187822 [0,1,0,0,0,0|3,0,0]=4 1866 B11R1.91 C[C@H](O)CNc1ccccc1 72a253baaf381f6699a10e01b0f0ab34 [0,1,0,0,0,0|1,0,0]=2 1867 B11R1.91 C[C@H](O)CNc1ccccn1 b5e1e178b39afd2578578a870577034a [0,1,0,0,0,0|2,0,0]=3 1868 B11R1.91 C[C@H](O)CNc1cccnc1 13f963f21a32ff7cb405ad7d76f40567 [0,1,0,0,0,0|2,0,0]=3 1869 B11R1.91 C[C@H](O)CNc1cccnn1 d1cbd42116d6dcb71e4b9c0be7e6b4b4 [0,1,0,0,0,0|3,0,0]=4 1870 B11R1.91 C[C@H](O)CNc1ccncc1 40e1cfcf68d3fb31f8ea23f4fe31cf2f [0,1,0,0,0,0|2,0,0]=3 1871 B11R1.91 C[C@H](O)CNc1ccncn1 d98c0c85670dd7a9571673306a8a7bbe [0,1,0,0,0,0|3,0,0]=4 1872 B11R1.91 C[C@H](O)CNc1ccnnc1 121e8797e50363cde88e3aa495b3c0e6 [0,1,0,0,0,0|3,0,0]=4 1873 B11R1.91 C[C@H](O)CNc1cnccn1 8436b233d47376aa6994f036c7608979 [0,1,0,0,0,0|3,0,0]=4 1874 B11R1.91 C[C@H](O)CNc1cncnc1 892e1398c21057eaaa2e672d8bd1d026 [0,1,0,0,0,0|3,0,0]=4 1875 B11R1.91 C[C@H](O)CNc1ncccn1 b8c9593e9f50f526bf52c6b1059528a2 [0,1,0,0,0,0|3,0,0]=4 1876 B11R1.91 FC(F)CNc1ccccc1 84c83ea792636e350c2a00840c340dda [0,1,0,0,0,0|2,0,0]=3 1877 B11R1.91 FC(F)CNc1ccccn1 3e6bbc18fb170dbd99c0771b3f20bde4 [0,1,0,0,0,0|3,0,0]=4 1878 B11R1.91 FC(F)CNc1cccnc1 a910c213573add99ea980c8d5d2e609d [0,1,0,0,0,0|3,0,0]=4 1879 B11R1.91 FC(F)CNc1ccncc1 852d9eca092b668f9041ed00a1aecc1b [0,1,0,0,0,0|3,0,0]=4 1880 B11R1.91 FC(F)COc1ccccn1 5e0a1a0fa35c804046b8ebf535a7456b [0,1,0,0,0,0|3,0,0]=4 1881 B11R1.91 FC(F)COc1cccnc1 16e8b5d84e4d3ff38c6e69c3e22cb9c1 [0,1,0,0,0,0|3,0,0]=4 1882 B11R1.91 FC(F)COc1ccncc1 dbba5604807b4396b0d70022291913bd [0,1,0,0,0,0|3,0,0]=4 1883 B11R1.91 NC(=O)CNc1ccccc1 cb8f4e233e85228cf5430aee72130ae8 [0,1,0,0,0,0|1,0,2]=4 1884 B11R1.91 O=C(O)CNc1ccccc1 aa02152e084051d6acb84b2b7ca3be40 [0,1,0,0,0,0|1,0,1]=3 1885 B11R1.91 O=C(O)CNc1ccccn1 83bad72d96578f6ee29657bf854abc17 [0,1,0,0,0,0|2,0,1]=4 1886 B11R1.91 O=C(O)CNc1cccnc1 4378235c0fca8603764c85f64c571ed0 [0,1,0,0,0,0|2,0,1]=4 1887 B11R1.91 O=C(O)CNc1ccncc1 d2ec8efae842007114d587a1ec71d62f [0,1,0,0,0,0|2,0,1]=4 1888 B11R1.91 O=C(O)COc1ccccn1 d10c5c7e1100e6f68973343e5e477bed [0,1,0,0,0,0|2,0,1]=4 1889 B11R1.91 O=C(O)COc1cccnc1 109e5f2cec28855b082ac5e8dd76ca14 [0,1,0,0,0,0|2,0,1]=4 1890 B11R1.91 O=C(O)COc1ccncc1 b0acb3702ddf8b44733ab3e3ff47483a [0,1,0,0,0,0|2,0,1]=4 1891 B11R1.91 O=[N+]([O-])CNc1ccccc1 ee2373fe0eba3d741763c77ec19667e3 [0,1,0,0,0,0|2,0,1]=4 1892 B9R0.18 C=C/C=C/C(=O)NCCBr 24241347484a6226c8dd7163c33f3c1a [0,0,1,0,0,0|3,0,0]=4 1893 B9R0.18 C=C/C=C/C(=O)NCCC cdb1993c899e293034914219ee12d2cc [0,0,1,0,0,0|3,0,0]=4 1894 B9R0.18 C=C/C=C/C(=O)NCCF 4dfe4489970fda9645b22f2cf971aa1e [0,0,1,0,0,0|3,0,0]=4 1895 B9R0.18 C=C/C=C/C(=O)NCCI 671d50f31f616814a26211768163bb49 [0,0,1,0,0,0|3,0,0]=4 1896 B9R0.18 C=C/C=C/C(=O)NCCO 84cabd46bcaa3ce54eced688b872193d [0,0,1,0,0,0|2,0,0]=3 1897 B9R0.18 C=C/C=C/C(=O)NCCS 36586e03abc7a2f2b3c0061554a2ffb5 [0,0,1,0,0,0|2,1,0]=4 1898 B9R0.18 C=C/C=C\C(=O)NCCBr a49f65f9402775ef02e948cd7b975a1c [0,0,1,0,0,0|3,0,0]=4 1899 B9R0.18 C=C/C=C\C(=O)NCCC c0156ffebe98b66f4e26bb3d1670da8c [0,0,1,0,0,0|3,0,0]=4 1900 B9R0.18 C=C/C=C\C(=O)NCCF aec0cf18cb0e7b29eed657fc7a1e5afe [0,0,1,0,0,0|3,0,0]=4 1901 B9R0.18 C=C/C=C\C(=O)NCCI 66bdf2feccd49490567c5d20fb141202 [0,0,1,0,0,0|3,0,0]=4 1902 B9R0.18 C=C/C=C\C(=O)NCCO 1c213bed3877e97a951b6dd41834f3a2 [0,0,1,0,0,0|2,0,0]=3 1903 B9R0.18 C=C/C=C\C(=O)NCCS fea1ef388904312b919eb18f02bafd16 [0,0,1,0,0,0|2,1,0]=4 1904 B9R0.18 C=CC=CC(=O)NCCBr 0503081e50d4ec51bb10f901e1d82f5b [0,0,1,0,0,0|3,0,0]=4 1905 B9R0.18 C=CC=CC(=O)NCCC 4ac7d936250849aaf88bec9640f41d33 [0,0,1,0,0,0|3,0,0]=4 1906 B9R0.18 C=CC=CC(=O)NCCF 472791024d34eb3a94361b55821717af [0,0,1,0,0,0|3,0,0]=4 1907 B9R0.18 C=CC=CC(=O)NCCI 29f23d14f8b98d20bba802946cee3637 [0,0,1,0,0,0|3,0,0]=4 1908 B9R0.18 C=CC=CC(=O)NCCO 33efd795c69b3cd508d0081edd0a1405 [0,0,1,0,0,0|2,0,0]=3 1909 B9R0.18 C=CC=CC(=O)NCCS ab749ec9ccb6011b2e0c6fdde08d4132 [0,0,1,0,0,0|2,1,0]=4 1910 B9R0.45 C=C/C=C/CCNCCO 2a247488c4634710e439f3040d5dea89 [0,0,1,0,0,0|1,0,2]=4 1911 B11R2.238 c1cc(ccn1)NC2CC2 5ad70d53c8f8554348b48da331d79b17 [0,0,0,1,0,0|3,0,0]=4 1912 B11R2.238 c1ccc(cc1)NC2CC2 0cca6617983212a2989086e88698db73 [0,0,0,1,0,0|2,0,0]=3 1913 B11R2.238 c1ccc(nc1)OC2CC2 05f70841461656fba19d4e6cae35b4c4 [0,0,0,1,0,0|3,0,0]=4 1914 B11R2.238 c1cncc(c1)NC2CC2 faca6d2d50c0b4a3e50cda13d58850cf [0,0,0,1,0,0|3,0,0]=4 1915 B11R2.238 c1cncc(c1)OC2CC2 e02f03b072be3d2fd90f9a4a8c487a8f [0,0,0,1,0,0|3,0,0]=4 1916 B9R1.12 BrCCNc1cccs1 c09b0f0dcebf0fcb791d9c0fae97e4ed [0,0,0,0,1,0|3,0,0]=4 1917 B9R1.12 BrCCNc1ccoc1 a2231b54df1a9ad952a7199505b4249b [0,0,0,0,1,0|3,0,0]=4 1918 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [0,0,0,0,1,0|3,0,0]=4 1919 B9R1.12 CCCNc1ccoc1 cc4f6f51569c182aca4da58e5f019c78 [0,0,0,0,1,0|3,0,0]=4 1920 B9R1.12 CCCNc1ccsc1 a70237f11ed81d43b5ff787e5b6c83f9 [0,0,0,0,1,0|3,0,0]=4 1921 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [0,0,0,0,1,0|3,0,0]=4 1922 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [0,0,0,0,1,0|3,0,0]=4 1923 B9R1.12 CCCOc1ccsc1 09284982954b71ce4e3ef57411744ecc [0,0,0,0,1,0|3,0,0]=4 1924 B9R1.12 CCNCc1cc[nH]c1 5f34bb16d580f8126d210a7f1c922122 [0,0,0,0,1,0|3,0,0]=4 1925 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [0,0,0,0,1,0|3,0,0]=4 1926 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [0,0,0,0,1,0|3,0,0]=4 1927 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [0,0,0,0,1,0|3,0,0]=4 1928 B9R1.12 CCNCc1ccoc1 790b339bd93664fda272fb5f895d2be9 [0,0,0,0,1,0|3,0,0]=4 1929 B9R1.12 CCNCc1ccsc1 8d2a00279cff0e97c4d4139ed8f7ead4 [0,0,0,0,1,0|3,0,0]=4 1930 B9R1.12 CCOCc1cc[nH]c1 59d617c736c503e8fe59f893e6c21bac [0,0,0,0,1,0|3,0,0]=4 1931 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [0,0,0,0,1,0|3,0,0]=4 1932 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [0,0,0,0,1,0|3,0,0]=4 1933 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [0,0,0,0,1,0|3,0,0]=4 1934 B9R1.12 CCOCc1ccsc1 386d4e7246ff291707b3e218c5edbe51 [0,0,0,0,1,0|3,0,0]=4 1935 B9R1.12 FCCNc1cccs1 72d30de6f7107428d208ec2105512673 [0,0,0,0,1,0|3,0,0]=4 1936 B9R1.12 FCCNc1ccoc1 c1ef02526436d56670fbc827dff10294 [0,0,0,0,1,0|3,0,0]=4 1937 B9R1.12 FCCNc1ccsc1 fe6860b91498a90ddd7aa64d15ec51e5 [0,0,0,0,1,0|3,0,0]=4 1938 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [0,0,0,0,1,0|3,0,0]=4 1939 B9R1.12 FCCOc1cccs1 4d4e0d32e310d3d0cee0221bc94ba774 [0,0,0,0,1,0|3,0,0]=4 1940 B9R1.12 FCCOc1ccsc1 2f09c5b14248921eab504abcf388a4ec [0,0,0,0,1,0|3,0,0]=4 1941 B9R1.12 FCNCc1cc[nH]c1 b817894ddede5708528cb1405f360cfd [0,0,0,0,1,0|3,0,0]=4 1942 B9R1.12 FCNCc1ccc[nH]1 b8209f67d0b6dbcebbd0297bb2e6b7c8 [0,0,0,0,1,0|3,0,0]=4 1943 B9R1.12 FCNCc1ccco1 15cf0ef1c142117a022de7e1d8123caa [0,0,0,0,1,0|3,0,0]=4 1944 B9R1.12 FCNCc1cccs1 1969e67372fdc757bbfda3428419fdb3 [0,0,0,0,1,0|3,0,0]=4 1945 B9R1.12 FCNCc1ccoc1 db9af6c840ffa1f5fc9828bc8e8097bc [0,0,0,0,1,0|3,0,0]=4 1946 B9R1.12 FCNCc1ccsc1 cc5edd879e4d25bdc7b7075ec2598a6f [0,0,0,0,1,0|3,0,0]=4 1947 B9R1.12 FCOCc1cc[nH]c1 e645347fff584dcaf13c7a8df55c8f11 [0,0,0,0,1,0|3,0,0]=4 1948 B9R1.12 FCOCc1ccc[nH]1 f8b57ee506260fbcaafed00f685542b2 [0,0,0,0,1,0|3,0,0]=4 1949 B9R1.12 FCOCc1ccco1 c04c3f12cfd8e7c8e05bcf1ef27a3e13 [0,0,0,0,1,0|3,0,0]=4 1950 B9R1.12 FCOCc1cccs1 d20aa0b5d32f374e73f69643d763b140 [0,0,0,0,1,0|3,0,0]=4 1951 B9R1.12 FCOCc1ccoc1 acd5d0c1e71ac03cee6d062a471f50f7 [0,0,0,0,1,0|3,0,0]=4 1952 B9R1.12 FCOCc1ccsc1 2373512534d4c6091a520d964abd3f36 [0,0,0,0,1,0|3,0,0]=4 1953 B9R1.12 ICCNc1cccs1 8499be8b0e3a22886e79ca6d717dc693 [0,0,0,0,1,0|3,0,0]=4 1954 B9R1.12 ICCNc1ccoc1 d3fd15a20520072c5b9980450c3c59c1 [0,0,0,0,1,0|3,0,0]=4 1955 B9R1.12 OCCCN1CC=CC1 c06c37422b3d9b28b0837003ef642590 [0,0,0,0,1,0|1,0,2]=4 1956 B9R1.12 OCCNc1c[nH]cn1 6bbb7b84fc258f74f81697f9e606085b [0,0,0,0,1,0|3,0,0]=4 1957 B9R1.12 OCCNc1cc[nH]n1 dc3ed615c6c688442aba812b19f4611c [0,0,0,0,1,0|3,0,0]=4 1958 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [0,0,0,0,1,0|2,0,0]=3 1959 B9R1.12 OCCNc1cccs1 2ba78ef34c75ea3069c9d7a18a33b4b5 [0,0,0,0,1,0|2,0,0]=3 1960 B9R1.12 OCCNc1ccno1 f9d4a2c229db87b9a999f7bc1ae8173c [0,0,0,0,1,0|3,0,0]=4 1961 B9R1.12 OCCNc1ccns1 94ecdd8d4c31792c77fe23ccc3ac57df [0,0,0,0,1,0|3,0,0]=4 1962 B9R1.12 OCCNc1ccoc1 57b3dbe9a8463690570ac98cb9dbd904 [0,0,0,0,1,0|2,0,0]=3 1963 B9R1.12 OCCNc1ccon1 7e1eb81d2ac8aa6322ecf254a646a19b [0,0,0,0,1,0|3,0,0]=4 1964 B9R1.12 OCCNc1ccsc1 0f9832f0a4c7ccbac5bb22dfab5dcad2 [0,0,0,0,1,0|2,0,0]=3 1965 B9R1.12 OCCNc1cn[nH]c1 00664d2153f8feeac8be898222b8c36e [0,0,0,0,1,0|3,0,0]=4 1966 B9R1.12 OCCNc1cncs1 8d778bef0f6f8b54315efeb996bc566e [0,0,0,0,1,0|3,0,0]=4 1967 B9R1.12 OCCNc1cnoc1 21a2cca80ab3b519013ea558cc5f53fd [0,0,0,0,1,0|3,0,0]=4 1968 B9R1.12 OCCNc1cnsc1 c57c33704840e3bb0662a89a65173ebf [0,0,0,0,1,0|3,0,0]=4 1969 B9R1.12 OCCNc1cocn1 53f1a08e03b0c5dc1d44b11951086402 [0,0,0,0,1,0|3,0,0]=4 1970 B9R1.12 OCCNc1cscn1 7621abb92b5880bf9a85fff3da9e8ad1 [0,0,0,0,1,0|3,0,0]=4 1971 B9R1.12 OCCNc1ncc[nH]1 81d2b61694a5dd6334d1b7b8278fae51 [0,0,0,0,1,0|3,0,0]=4 1972 B9R1.12 OCCNc1ncco1 27672c213574093b88099a3cc5e6e3a7 [0,0,0,0,1,0|3,0,0]=4 1973 B9R1.12 OCCNc1nccs1 97ef5b568316a3301eb9dffbc2fa937a [0,0,0,0,1,0|3,0,0]=4 1974 B9R1.12 OCNCc1cc[nH]c1 f5a137e18f15de138541ca934254f440 [0,0,0,0,1,0|2,0,0]=3 1975 B9R1.12 OCNCc1ccc[nH]1 b011ce93b48fe889bae376897837b402 [0,0,0,0,1,0|2,0,0]=3 1976 B9R1.12 OCNCc1ccco1 65cac21f3029c35a0c20d324fb578c01 [0,0,0,0,1,0|2,0,0]=3 1977 B9R1.12 OCNCc1cccs1 2d672a9efcaba2b89f20e3b8a4fffaa8 [0,0,0,0,1,0|2,0,0]=3 1978 B9R1.12 OCNCc1ccn[nH]1 4f644eaa1c198c0d47e157b2251dd9df [0,0,0,0,1,0|3,0,0]=4 1979 B9R1.12 OCNCc1ccno1 5ee1390985394a1ac47e98b34aaa079d [0,0,0,0,1,0|3,0,0]=4 1980 B9R1.12 OCNCc1ccns1 02f2c7810f1c3e540cfce6395bda8c6e [0,0,0,0,1,0|3,0,0]=4 1981 B9R1.12 OCNCc1ccoc1 9c7027d5d74585d7a26015dc4962abeb [0,0,0,0,1,0|2,0,0]=3 1982 B9R1.12 OCNCc1ccon1 641e1bc46b502f4ff0216fba16f534e0 [0,0,0,0,1,0|3,0,0]=4 1983 B9R1.12 OCNCc1ccsc1 e98282527dce2dcf482e445dc6ab3297 [0,0,0,0,1,0|2,0,0]=3 1984 B9R1.12 OCNCc1ccsn1 6423ef43bb72b8074571efd4a00036f0 [0,0,0,0,1,0|3,0,0]=4 1985 B9R1.12 OCNCc1cn[nH]c1 880838e3a5f427d757ee9ee8e0822947 [0,0,0,0,1,0|3,0,0]=4 1986 B9R1.12 OCNCc1cnco1 ff41cd25219a84912d0d2df0441c6a9f [0,0,0,0,1,0|3,0,0]=4 1987 B9R1.12 OCNCc1cncs1 7e0889ebf2097242016deaebafe8acfa [0,0,0,0,1,0|3,0,0]=4 1988 B9R1.12 OCNCc1cnoc1 e19c60b8c4dc93b35185c19ce79542a3 [0,0,0,0,1,0|3,0,0]=4 1989 B9R1.12 OCNCc1cnsc1 571383838b3773f7d614793401dd2282 [0,0,0,0,1,0|3,0,0]=4 1990 B9R1.12 OCNCc1cocn1 62065bc3c4e6fec9b8a9661dcdc38734 [0,0,0,0,1,0|3,0,0]=4 1991 B9R1.12 OCNCc1cscn1 c4e4a0e9b088904696061154b9ed9b67 [0,0,0,0,1,0|3,0,0]=4 1992 B9R1.12 OCNCc1ncc[nH]1 55bad8fd5c892932b74f834aa70660c2 [0,0,0,0,1,0|3,0,0]=4 1993 B9R1.12 OCNCc1ncco1 6863cdccabe755ed920c5ddc5155c6b9 [0,0,0,0,1,0|3,0,0]=4 1994 B9R1.12 OCNCc1nccs1 11e087dc3a42e81fae34a358a44fd79d [0,0,0,0,1,0|3,0,0]=4 1995 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [0,0,0,0,1,0|2,1,0]=4 1996 B9R1.12 SCCNc1cccs1 8a17ff5b35bec33fda4ea52f977bd5ac [0,0,0,0,1,0|2,1,0]=4 1997 B9R1.12 SCCNc1ccoc1 005f080777d11987a0a12d398378313f [0,0,0,0,1,0|2,1,0]=4 1998 B9R1.12 SCCNc1ccsc1 d8050ca8a388ad6efb6b9e54bd7998e0 [0,0,0,0,1,0|2,1,0]=4 1999 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [0,0,0,0,1,0|2,1,0]=4 2000 B9R1.12 SCCOc1cccs1 76d2470c19021421703a4592f24d10d6 [0,0,0,0,1,0|2,1,0]=4 2001 B9R1.12 SCCOc1ccsc1 bb81766b0561e5c97ffbbe596b07dbbb [0,0,0,0,1,0|2,1,0]=4 2002 B8R0.4 C=C/C=C/CCNCO cc62028f0291dc61382b8a1bf0b8ba53 [1,0,1,0,0,0|1,0,1]=4 2003 B10R0.18 C=C/C=C/C(=O)NC(C)CO 71b3fb1eba3886a8772e91c4741e895f [0,1,1,0,0,0|2,0,0]=4 2004 B10R0.18 C=C/C=C/C(=O)N[C@@H](C)CO 750a0c06d9553b6b9cbc0b4b778eee81 [0,1,1,0,0,0|2,0,0]=4 2005 B10R0.18 C=C/C=C/C(=O)N[C@H](C)CO 70bc13920c5c6b3b335ef7f8949365eb [0,1,1,0,0,0|2,0,0]=4 2006 B10R0.18 C=C/C=C\C(=O)NC(C)CO 8e693ba09cd7100b887b6dd9e9476638 [0,1,1,0,0,0|2,0,0]=4 2007 B10R0.18 C=C/C=C\C(=O)N[C@@H](C)CO 3ea0365a52c7af13891058596e4727d5 [0,1,1,0,0,0|2,0,0]=4 2008 B10R0.18 C=C/C=C\C(=O)N[C@H](C)CO 1122fe1be6c9e40038ea3b75c2c1d843 [0,1,1,0,0,0|2,0,0]=4 2009 B10R0.18 C=CC=CC(=O)NC(C)CO 0439602b84c5f914ffd3481573ead334 [0,1,1,0,0,0|2,0,0]=4 2010 B10R0.18 C=CC=CC(=O)N[C@@H](C)CO ef5febfdb9edfd35bc008191ad8b5be8 [0,1,1,0,0,0|2,0,0]=4 2011 B10R0.18 C=CC=CC(=O)N[C@H](C)CO c1f8e8aa5885ea9985cac21ce3e208bc [0,1,1,0,0,0|2,0,0]=4 2012 B10R0.19 C=C/C=C/C(=O)N(C)CCO 422ce1e81375f952dd800ce4aca64f0a [0,1,1,0,0,0|2,0,0]=4 2013 B10R0.19 C=C/C=C\C(=O)N(C)CCO ef1ee9097d7c41d1381e15e2badc9af0 [0,1,1,0,0,0|2,0,0]=4 2014 B10R0.19 C=CC=CC(=O)N(C)CCO d02f132af0b25d1b30ea321bf5868476 [0,1,1,0,0,0|2,0,0]=4 2015 B10R0.78 C=C/C=C/C(=O)NCC(C)O bbfdb9c065d31cd9d2d615cb81a494da [0,1,1,0,0,0|2,0,0]=4 2016 B10R0.78 C=C/C=C/C(=O)NC[C@@H](C)O 438e256d415f262435d70cba80271310 [0,1,1,0,0,0|2,0,0]=4 2017 B10R0.78 C=C/C=C/C(=O)NC[C@H](C)O 06b8be728d252d132bd72b2b526349ca [0,1,1,0,0,0|2,0,0]=4 2018 B10R0.78 C=C/C=C\C(=O)NCC(C)O 466d6cbc66a97699c5dfad7306d5da0e [0,1,1,0,0,0|2,0,0]=4 2019 B10R0.78 C=C/C=C\C(=O)NC[C@@H](C)O cda76130ff67e68446c72dc8c0506ce3 [0,1,1,0,0,0|2,0,0]=4 2020 B10R0.78 C=C/C=C\C(=O)NC[C@H](C)O 2b570d30f671d5be22e6bdfb7ad14282 [0,1,1,0,0,0|2,0,0]=4 2021 B10R0.78 C=CC=CC(=O)NCC(C)O 555260ab24ab95e54b82dcfd8581b226 [0,1,1,0,0,0|2,0,0]=4 2022 B10R0.78 C=CC=CC(=O)NC[C@@H](C)O 78810557d579033d0001ff46f1ae9555 [0,1,1,0,0,0|2,0,0]=4 2023 B10R0.78 C=CC=CC(=O)NC[C@H](C)O c8c447e557dc2540a3504288c1090056 [0,1,1,0,0,0|2,0,0]=4 2024 B10R0.91 C/C=C/C=C/C(=O)NCCO 464657f9c4290fc237630cea8fd1a8bb [0,1,1,0,0,0|2,0,0]=4 2025 B10R0.91 C=C/C=C/C(=O)NCCCC 10ab5b019fd666fa7fd5d4798cb4be3a [0,1,1,0,0,0|2,0,0]=4 2026 B10R0.91 C=C/C=C/C(=O)NCCCCl 9221da0a5c3e0ddc8cd9ed455e3d3c09 [0,1,1,0,0,0|2,0,0]=4 2027 B10R0.91 C=C/C=C/C(=O)NCCCO 528c7746becfc45c9cd6909e88e91332 [0,1,1,0,0,0|1,0,0]=3 2028 B10R0.91 C=C/C=C/C(=O)NCCOC 351ba5c30d213fd54c2f17a189d04388 [0,1,1,0,0,0|2,0,0]=4 2029 B10R0.91 C=C/C=C/C(=O)NCCON 8bd552802846e5d0314c53c27dc62d81 [0,1,1,0,0,0|2,0,0]=4 2030 B10R0.91 C=C/C=C\C(=O)NCCCC c8a18923925d2c2145bb35dcf37ddb4d [0,1,1,0,0,0|2,0,0]=4 2031 B10R0.91 C=C/C=C\C(=O)NCCCCl ac05ccb5994844b9677dc19e5b45a055 [0,1,1,0,0,0|2,0,0]=4 2032 B10R0.91 C=C/C=C\C(=O)NCCCO d29e2325d1f06a7636145022225ca111 [0,1,1,0,0,0|1,0,0]=3 2033 B10R0.91 C=C/C=C\C(=O)NCCOC 74cd1c11300b875ba10c35c1245ea91d [0,1,1,0,0,0|2,0,0]=4 2034 B10R0.91 C=C/C=C\C(=O)NCCON 6f923789747b1f8b4f9a20a580516b14 [0,1,1,0,0,0|2,0,0]=4 2035 B10R0.91 C=CC=CC(=O)NCCCC 20646493048f04a031bdcfa6bf608cd9 [0,1,1,0,0,0|2,0,0]=4 2036 B10R0.91 C=CC=CC(=O)NCCCCl 6a96d950570b1c17c9a7c169d0f5682f [0,1,1,0,0,0|2,0,0]=4 2037 B10R0.91 C=CC=CC(=O)NCCCO ab938b744097f636a4f9386e13130345 [0,1,1,0,0,0|1,0,0]=3 2038 B10R0.91 C=CC=CC(=O)NCCOC a81a1a536aaf63bef2438638c1ba6b98 [0,1,1,0,0,0|2,0,0]=4 2039 B10R0.91 C=CC=CC(=O)NCCON f215f2d54048dd16f354f2e4fe40ccc0 [0,1,1,0,0,0|2,0,0]=4 2040 B10R0.91 CC=CC=CC(=O)NCCO 9281d1ed962b74e12d40a1a0403bdf11 [0,1,1,0,0,0|2,0,0]=4 2041 B10R0.90 C=CCN(CC=C)CCCO 51e0876646b6787ca917a64e04e3b2df [0,1,1,0,0,0|1,0,1]=4 2042 B10R0.71 C=C/C=C/CCNCCCO 8814ae4afe7271b122cca785a18191b2 [0,1,1,0,0,0|0,0,2]=4 2043 B10R1.1 CCNc1ccc(=O)[nH]c1 cda5f6466914b9089a8f399c4d41b9f1 [1,1,0,0,0,0|2,0,0]=4 2044 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,1,0,0,0,0|1,0,0]=3 2045 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,1,0,0,0,0|1,0,0]=3 2046 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,1,0,0,0,0|1,0,0]=3 2047 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,1,0,0,0,0|1,0,0]=3 2048 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,1,0,0,0,0|1,0,0]=3 2049 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,1,0,0,0,0|1,0,0]=3 2050 B10R1.1 CCNc1ccc(cn1)Br 639f883e838120d440c275f266387630 [1,1,0,0,0,0|2,0,0]=4 2051 B10R1.1 CCNc1ccc(cn1)C fb256d19526c3e4e7db09097bf1226ae [1,1,0,0,0,0|2,0,0]=4 2052 B10R1.1 CCNc1ccc(cn1)Cl 86942235d68fec688c4d98a640636bda [1,1,0,0,0,0|2,0,0]=4 2053 B10R1.1 CCNc1ccc(cn1)F bc6bc6f1cc565acba301cdb52762e02f [1,1,0,0,0,0|2,0,0]=4 2054 B10R1.1 CCNc1ccc(cn1)I 52b76d004d4ec36a1450a88eb15ee235 [1,1,0,0,0,0|2,0,0]=4 2055 B10R1.1 CCNc1ccc(nc1)Br 59c1c575d4cf738922707e4ac33945e2 [1,1,0,0,0,0|2,0,0]=4 2056 B10R1.1 CCNc1ccc(nc1)C c6a305032b477973c3c3fbf0a9e4e681 [1,1,0,0,0,0|2,0,0]=4 2057 B10R1.1 CCNc1ccc(nc1)Cl a3742bd50e5ddc0bb8d9bcc0351dba6f [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.1 CCNc1ccc(nc1)F 1c8d0a2e7c3ebc9b796eced21d4d67da [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.1 CCNc1ccc(nc1)I b055045d2de39aafb4b6d6710f7ae0e8 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,1,0,0,0,0|1,0,0]=3 2061 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,1,0,0,0,0|1,0,0]=3 2062 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,1,0,0,0,0|1,0,0]=3 2063 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,1,0,0,0,0|1,0,0]=3 2064 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,1,0,0,0,0|1,0,0]=3 2065 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,1,0,0,0,0|1,0,0]=3 2066 B10R1.1 CCOc1ccc(cn1)C f777259bf4373954cda4bbb8405a47a2 [1,1,0,0,0,0|2,0,0]=4 2067 B10R1.1 CCOc1ccc(cn1)Cl cd4f070a79f4939e7eca32fa7a8d0e7f [1,1,0,0,0,0|2,0,0]=4 2068 B10R1.1 CCOc1ccc(cn1)F b50f8cb60dc9806fa9d9175eac7405e9 [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.1 CCOc1ccc(cn1)I 134eef0ef437844eb5a79430a3f4f022 [1,1,0,0,0,0|2,0,0]=4 2070 B10R1.1 CCOc1ccc(nc1)Br bac9395e09cd94d673b47afe64f445de [1,1,0,0,0,0|2,0,0]=4 2071 B10R1.1 CCOc1ccc(nc1)C a681f7f0cc1b45047bb455631f3beced [1,1,0,0,0,0|2,0,0]=4 2072 B10R1.1 CCOc1ccc(nc1)Cl 1b78e4b95bbcd168fec166181ff52b61 [1,1,0,0,0,0|2,0,0]=4 2073 B10R1.1 CCOc1ccc(nc1)F a0e05acc1f44f1bf919de4da94e9dd90 [1,1,0,0,0,0|2,0,0]=4 2074 B10R1.1 CCOc1ccc(nc1)I 131dd3afd2712c4ddfbf28645dd95597 [1,1,0,0,0,0|2,0,0]=4 2075 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [1,1,0,0,0,0|2,0,0]=4 2076 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,1,0,0,0,0|1,0,0]=3 2077 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,1,0,0,0,0|2,0,0]=4 2078 B10R1.1 Cc1ccc(cn1)NCO fd814a39a039a510f879e6acc6bae8ec [1,1,0,0,0,0|2,0,0]=4 2079 B10R1.1 Cc1ccc(nc1)NCO a3d787a21cbcad7f0f8fd58a7dfe7945 [1,1,0,0,0,0|2,0,0]=4 2080 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [1,1,0,0,0,0|2,0,0]=4 2082 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [1,1,0,0,0,0|2,0,0]=4 2083 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [1,1,0,0,0,0|2,0,0]=4 2084 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [1,1,0,0,0,0|2,0,0]=4 2085 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [1,1,0,0,0,0|2,0,0]=4 2086 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [1,1,0,0,0,0|2,0,0]=4 2087 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [1,1,0,0,0,0|2,0,0]=4 2088 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [1,1,0,0,0,0|2,0,0]=4 2089 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [1,1,0,0,0,0|2,0,0]=4 2090 B10R1.1 O=c1ccc(c[nH]1)NCO 6c49f3fcbfcda41856e9a3ef89f0e0b2 [1,1,0,0,0,0|2,0,0]=4 2091 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,1,0,0,0,0|1,0,0]=3 2092 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,1,0,0,0,0|1,0,0]=3 2093 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,1,0,0,0,0|1,0,0]=3 2095 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,1,0,0,0,0|1,0,0]=3 2096 B10R1.1 OCNc1ccc(cn1)Br df4ffeb7d3426fa3f30c970836be5a07 [1,1,0,0,0,0|2,0,0]=4 2097 B10R1.1 OCNc1ccc(cn1)Cl d8643f93dc56c4026f45d75600865cf1 [1,1,0,0,0,0|2,0,0]=4 2098 B10R1.1 OCNc1ccc(cn1)F c678380a06127762dfcfe4f997000000 [1,1,0,0,0,0|2,0,0]=4 2099 B10R1.1 OCNc1ccc(cn1)I 4da26305a3e4c2d76ed4b2a820524344 [1,1,0,0,0,0|2,0,0]=4 2100 B10R1.1 OCNc1ccc(nc1)Br 399f860b3f8af2a89c07a3b0752fb11e [1,1,0,0,0,0|2,0,0]=4 2101 B10R1.1 OCNc1ccc(nc1)Cl d6034f7aa3e9576c3befbcbc74c36153 [1,1,0,0,0,0|2,0,0]=4 2102 B10R1.1 OCNc1ccc(nc1)F 9c48cfa9cdfaaee705bc9f41b078a0e2 [1,1,0,0,0,0|2,0,0]=4 2103 B10R1.1 OCNc1ccc(nc1)I 115f65afea3289921087b1ab2d1633ed [1,1,0,0,0,0|2,0,0]=4 2104 B10R1.4 CCNc1ccc[nH]c1=S 67a5b3b55c36deab6cc15e67fc040e75 [1,1,0,0,0,0|2,0,0]=4 2105 B10R1.4 CCNc1cccc[n+]1[O-] 02091f95b7d222da69935edad316aa89 [1,1,0,0,0,0|2,0,0]=4 2106 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [1,1,0,0,0,0|1,0,0]=3 2107 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [1,1,0,0,0,0|1,0,0]=3 2108 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [1,1,0,0,0,0|1,0,0]=3 2109 B10R1.4 CCNc1cccnc1Br a2373bd4dbeea9e96613175b1fa389be [1,1,0,0,0,0|2,0,0]=4 2110 B10R1.4 CCNc1cccnc1C aa29ce1aae1cb0173cce32ed6de53439 [1,1,0,0,0,0|2,0,0]=4 2111 B10R1.4 CCNc1cccnc1Cl cabaa73226660203e29d27ac34157732 [1,1,0,0,0,0|2,0,0]=4 2112 B10R1.4 CCNc1cccnc1F 1c26bd9832ea7353d5986c5b2a82ebeb [1,1,0,0,0,0|2,0,0]=4 2113 B10R1.4 CCNc1cccnc1I aa60c46f7fe874be857c1ace71f86b31 [1,1,0,0,0,0|2,0,0]=4 2114 B10R1.4 CCNc1ccncc1Br ffd2eb38e4cf903045585acdfa177024 [1,1,0,0,0,0|2,0,0]=4 2115 B10R1.4 CCNc1ccncc1C a4036471d4d817efbd65f0f570537bae [1,1,0,0,0,0|2,0,0]=4 2116 B10R1.4 CCNc1ccncc1Cl cc17327e7d09812cb4857d56245710a7 [1,1,0,0,0,0|2,0,0]=4 2117 B10R1.4 CCNc1ccncc1F 2cf4abf23adb3e08a46ff5f679cb5913 [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.4 CCNc1ccncc1I 079ccaf1613a9f898aa33de4b63592f7 [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.4 CCNc1cnccc1Br 16ccd75ae6484f9482a40238b5f84138 [1,1,0,0,0,0|2,0,0]=4 2120 B10R1.4 CCNc1cnccc1C 4e74c1f11dcd52a7c20dfdd6b5662790 [1,1,0,0,0,0|2,0,0]=4 2121 B10R1.4 CCNc1cnccc1Cl fce9e815cea92983ee0d8ac5fb395bc8 [1,1,0,0,0,0|2,0,0]=4 2122 B10R1.4 CCNc1cnccc1F efcbd8573a43bcdf8091057e7ebdf59e [1,1,0,0,0,0|2,0,0]=4 2123 B10R1.4 CCNc1cnccc1I 11de2c92a556b377d01b5ed33d779892 [1,1,0,0,0,0|2,0,0]=4 2124 B10R1.4 CCNc1cnccc1S b06232fe6249f36d78efb086b14dd641 [1,1,0,0,0,0|2,0,0]=4 2125 B10R1.4 CCNc1ncccc1Br c725f87792bbf69d61dad0e1008718dc [1,1,0,0,0,0|2,0,0]=4 2126 B10R1.4 CCNc1ncccc1C a7fd36b27f175706adc74e2aac7526d2 [1,1,0,0,0,0|2,0,0]=4 2127 B10R1.4 CCNc1ncccc1Cl 38db51258030951890daf204f7ed0b90 [1,1,0,0,0,0|2,0,0]=4 2128 B10R1.4 CCNc1ncccc1F 708bbe73960ac127c7a4adb5124c7937 [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.4 CCNc1ncccc1I 816a15b4e18519781f24dc419625ba99 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.4 CCOc1ccc[nH]c1=S 8c21bc69d2dc6be5a606751c990f45b9 [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.4 CCOc1cccc[n+]1[O-] 5e2e6a3eb33be14884bc8c1831a174ad [1,1,0,0,0,0|2,0,0]=4 2132 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [1,1,0,0,0,0|1,0,0]=3 2133 B10R1.4 CCOc1ccccc1Cl 9b9ed61fe6629f2df6b1eaddc9ec2e8a [1,1,0,0,0,0|1,0,0]=3 2134 B10R1.4 CCOc1ccccc1F 41f85306b1c4b7c4daecba5a00d66cce [1,1,0,0,0,0|1,0,0]=3 2135 B10R1.4 CCOc1ccccc1I 3bfd90529c85539df6076f624de1f80d [1,1,0,0,0,0|1,0,0]=3 2136 B10R1.4 CCOc1cccnc1Br 08b45b24e31de1110a9d86520664a434 [1,1,0,0,0,0|2,0,0]=4 2137 B10R1.4 CCOc1cccnc1C 0260c4935677d055d800178e37d974b6 [1,1,0,0,0,0|2,0,0]=4 2138 B10R1.4 CCOc1cccnc1Cl 684709ad9eeb4a1f4f9e4a19760d89be [1,1,0,0,0,0|2,0,0]=4 2139 B10R1.4 CCOc1cccnc1F eb46cca158e1b62d818714a01a5af0f3 [1,1,0,0,0,0|2,0,0]=4 2140 B10R1.4 CCOc1cccnc1I 792b0a09e935918385422ce79b947b91 [1,1,0,0,0,0|2,0,0]=4 2141 B10R1.4 CCOc1cccoc1=O 7ff4b51ee01af505d2964258091f5c59 [1,1,0,0,0,0|2,0,0]=4 2142 B10R1.4 CCOc1ccncc1Br 55a5d7eb5c6e1589c96bf824d7208a22 [1,1,0,0,0,0|2,0,0]=4 2143 B10R1.4 CCOc1ccncc1C 20c8f7e703c3d3baef36021d316a4da0 [1,1,0,0,0,0|2,0,0]=4 2144 B10R1.4 CCOc1ccncc1Cl 5e0f3ecd2dfdb5f220c2bf78ed519c55 [1,1,0,0,0,0|2,0,0]=4 2145 B10R1.4 CCOc1ccncc1F eea1222228b0061fe90624479072235a [1,1,0,0,0,0|2,0,0]=4 2146 B10R1.4 CCOc1cnccc1Br cc65e9d894dca176f1e04b368966ac9b [1,1,0,0,0,0|2,0,0]=4 2147 B10R1.4 CCOc1cnccc1C 50b788e4b20e4d60835564cb398dcb8c [1,1,0,0,0,0|2,0,0]=4 2148 B10R1.4 CCOc1cnccc1Cl 9252fbdc2aaa496a5df46d8e859e8bec [1,1,0,0,0,0|2,0,0]=4 2149 B10R1.4 CCOc1cnccc1F 48497666769166ce90aacce840caeccc [1,1,0,0,0,0|2,0,0]=4 2150 B10R1.4 CCOc1cnccc1I b3ec03f0e98ec8d0e34044a0a69fa976 [1,1,0,0,0,0|2,0,0]=4 2151 B10R1.4 CCOc1coccc1=O f03228b8de8c0c009e2b1ec644801385 [1,1,0,0,0,0|2,0,0]=4 2152 B10R1.4 CCOc1ncccc1Br f4383148a14f49cafea4eeb34cba2f7d [1,1,0,0,0,0|2,0,0]=4 2153 B10R1.4 CCOc1ncccc1C e8543da7a575b70db65e7933cc01e850 [1,1,0,0,0,0|2,0,0]=4 2154 B10R1.4 CCOc1ncccc1Cl 4590ed1a2376b9070dd9165912ca6275 [1,1,0,0,0,0|2,0,0]=4 2155 B10R1.4 CCOc1ncccc1F a8635691cfd51eb96b174213d32b56ee [1,1,0,0,0,0|2,0,0]=4 2156 B10R1.4 CCOn1ccccc1=N 066e010845a5f633ef5690a0c60b3ada [1,1,0,0,0,0|2,0,0]=4 2157 B10R1.4 CCOn1ccccc1=O 0b23c2e0447fcd6e93837fb5b83fe2d6 [1,1,0,0,0,0|2,0,0]=4 2158 B10R1.4 CCOn1ccccc1=S 3f6c47def882e136a1b020f7dbe062b5 [1,1,0,0,0,0|2,0,0]=4 2159 B10R1.4 Cc1ccccc1OCF 8baad2379a58970c56de2a8d01203209 [1,1,0,0,0,0|2,0,0]=4 2160 B10R1.4 Cc1cccnc1NCO b9826d2a8449ec373392c9bb98cfc60e [1,1,0,0,0,0|2,0,0]=4 2161 B10R1.4 Cc1ccncc1NCO e4933813d96bfefaf0bee2f99290507f [1,1,0,0,0,0|2,0,0]=4 2162 B10R1.4 Cc1cnccc1NCO 9c8541485e7e2429c3deeaca1ea35ffc [1,1,0,0,0,0|2,0,0]=4 2163 B10R1.4 Cc1ncccc1NCO 2163da6c3951ac44c1be417e09664d52 [1,1,0,0,0,0|2,0,0]=4 2164 B10R1.4 FCNc1ccccc1Cl d9b123aca09542405b035cbfc7a3c90b [1,1,0,0,0,0|2,0,0]=4 2165 B10R1.4 FCNc1ccccc1F 0a7d0fadca34184ec755df42efe17064 [1,1,0,0,0,0|2,0,0]=4 2166 B10R1.4 FCNc1ccccc1I 5959339ca8fbd24d83e04ddfbe0e0157 [1,1,0,0,0,0|2,0,0]=4 2167 B10R1.4 FCNc1ccccc1S d634255285ab47bb94c2bca0b3757d2a [1,1,0,0,0,0|2,0,0]=4 2168 B10R1.4 FCOc1ccccc1Cl a5299ee9d2e64e316b2aa5d3a27153e6 [1,1,0,0,0,0|2,0,0]=4 2169 B10R1.4 FCOc1ccccc1F 5806cc0111f0c8f01c1e2cf9018d81c2 [1,1,0,0,0,0|2,0,0]=4 2170 B10R1.4 FCOc1ccccc1I decd9faac1634980fd9c104b6a434168 [1,1,0,0,0,0|2,0,0]=4 2171 B10R1.4 OCNc1ccccc1I 10ade089d4f881d90e5208c43f98902f [1,1,0,0,0,0|1,0,0]=3 2172 B10R1.4 OCNc1cccnc1Br 7e757b1b55f902889855879ddc522fb0 [1,1,0,0,0,0|2,0,0]=4 2173 B10R1.4 OCNc1cccnc1Cl 698ab8db9bc7be3255bc7380ce9aaa39 [1,1,0,0,0,0|2,0,0]=4 2174 B10R1.4 OCNc1cccnc1F fa95074763d1b79d4379cbccbf606177 [1,1,0,0,0,0|2,0,0]=4 2175 B10R1.4 OCNc1cccnc1I 24ae1d254ba17b837d586845f299b407 [1,1,0,0,0,0|2,0,0]=4 2176 B10R1.4 OCNc1ccncc1Br 043c6178a1ab58a98fa93ec425d203ca [1,1,0,0,0,0|2,0,0]=4 2177 B10R1.4 OCNc1ccncc1Cl 2b47f51ab4733ba853a497ee10ffa423 [1,1,0,0,0,0|2,0,0]=4 2178 B10R1.4 OCNc1ccncc1F 40fbda4234bf042d70ef0fda5d7316e1 [1,1,0,0,0,0|2,0,0]=4 2179 B10R1.4 OCNc1ccncc1I 3ac21fc2c03a013c796b1896ac37dcd3 [1,1,0,0,0,0|2,0,0]=4 2180 B10R1.4 OCNc1cnccc1Br 5d032f06debe2317bdc278b84367b2a4 [1,1,0,0,0,0|2,0,0]=4 2181 B10R1.4 OCNc1cnccc1Cl 303a576d9462a0faf85137d3188ebf11 [1,1,0,0,0,0|2,0,0]=4 2182 B10R1.4 OCNc1cnccc1F 3f2dcb75eda77bcd64256bb0d5fa488d [1,1,0,0,0,0|2,0,0]=4 2183 B10R1.4 OCNc1cnccc1I b87052664ee5286776a0964c0ae129c4 [1,1,0,0,0,0|2,0,0]=4 2184 B10R1.4 OCNc1cnccc1S 72adbafda58b2f8f71778b7cbd9fa239 [1,1,0,0,0,0|2,0,0]=4 2185 B10R1.4 OCNc1ncccc1Br 77f1d94fff1c3354e71f7578b9db6e71 [1,1,0,0,0,0|2,0,0]=4 2186 B10R1.4 OCNc1ncccc1Cl 256af2a4e5339bf92fd701c592729960 [1,1,0,0,0,0|2,0,0]=4 2187 B10R1.4 OCNc1ncccc1F dba34b55d72c76512ea1914953015207 [1,1,0,0,0,0|2,0,0]=4 2188 B10R1.4 OCNc1ncccc1I f23791fb28fbf315ed36948d7065f414 [1,1,0,0,0,0|2,0,0]=4 2189 B10R1.4 [O-][n+]1ccccc1NCO fb15ecba3e81f851e97973b2f9b23d07 [1,1,0,0,0,0|2,0,0]=4 2190 B10R1.10 CCNc1cc(ccn1)Br d059085370442a13584ded71a5ddc9b8 [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.10 CCNc1cc(ccn1)C ead6e66bc426bd20a03df23491bb9b54 [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.10 CCNc1cc(ccn1)Cl b2a45afedb1a2c06b6d2ed398b1b9fd7 [1,1,0,0,0,0|2,0,0]=4 2193 B10R1.10 CCNc1cc(ccn1)F fbdfc8a9a414de8ffb419ecbd943de26 [1,1,0,0,0,0|2,0,0]=4 2194 B10R1.10 CCNc1cc(ccn1)I d53a5d370716816198e976ed0d538017 [1,1,0,0,0,0|2,0,0]=4 2195 B10R1.10 CCNc1cc[nH]c(=S)c1 18279867df6bd2717d53a0a712c5f251 [1,1,0,0,0,0|2,0,0]=4 2196 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [1,1,0,0,0,0|1,0,0]=3 2197 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [1,1,0,0,0,0|1,0,0]=3 2198 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [1,1,0,0,0,0|1,0,0]=3 2199 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [1,1,0,0,0,0|1,0,0]=3 2200 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [1,1,0,0,0,0|1,0,0]=3 2201 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [1,1,0,0,0,0|1,0,0]=3 2202 B10R1.10 CCNc1cccc(n1)Br bdf3c98d55e3185cc2a435a8a4fbf30b [1,1,0,0,0,0|2,0,0]=4 2203 B10R1.10 CCNc1cccc(n1)C a6d43cd595c5eb0b178fe2416f91b131 [1,1,0,0,0,0|2,0,0]=4 2204 B10R1.10 CCNc1cccc(n1)Cl 5a7a857b9ff459dab8398e6aa9d75650 [1,1,0,0,0,0|2,0,0]=4 2205 B10R1.10 CCNc1cccc(n1)F 5b24b54d716d9dced5c7bc536933db9c [1,1,0,0,0,0|2,0,0]=4 2206 B10R1.10 CCNc1cccc(n1)I 5bd2f7aa302878c630f540d50c1902a7 [1,1,0,0,0,0|2,0,0]=4 2207 B10R1.10 CCNc1ccnc(c1)Br b0de2c7dd0b2afc8e0058a60dc5eeb05 [1,1,0,0,0,0|2,0,0]=4 2208 B10R1.10 CCNc1ccnc(c1)C 58ebbaae6a202dff8555d7dd291a0bc7 [1,1,0,0,0,0|2,0,0]=4 2209 B10R1.10 CCNc1ccnc(c1)Cl 5dd6887f0e4e47b60cccdce22d76d27c [1,1,0,0,0,0|2,0,0]=4 2210 B10R1.10 CCNc1ccnc(c1)F 456c27c0065facf0db581015b185dd5e [1,1,0,0,0,0|2,0,0]=4 2211 B10R1.10 CCNc1ccnc(c1)I 9f90991b3c2f748f9a394e0717385ee7 [1,1,0,0,0,0|2,0,0]=4 2212 B10R1.10 CCNc1cncc(c1)Br 32c3d20c2a967ffd8b369baff96df78b [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.10 CCNc1cncc(c1)C 3532d78dae514f8ef5b485b2e6860ebe [1,1,0,0,0,0|2,0,0]=4 2214 B10R1.10 CCNc1cncc(c1)Cl 291ad30b57031986784f4e159245ef5b [1,1,0,0,0,0|2,0,0]=4 2215 B10R1.10 CCNc1cncc(c1)F eb3b221df4c2b29925e5d3320a410797 [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.10 CCNc1cncc(c1)I e218a1afe6a6aca6d71c039b21806c27 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.10 CCOc1cc(ccn1)Br 47baa3e649bbd6c09eab191c6164e915 [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.10 CCOc1cc(ccn1)C 2da9c0524b55cd9ee02f9192b348218b [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.10 CCOc1cc(ccn1)Cl f1569f953b6ce89dfd8a230ba1b746f0 [1,1,0,0,0,0|2,0,0]=4 2220 B10R1.10 CCOc1cc(ccn1)F b1acf79f5addc912dd21fb19cb9afccc [1,1,0,0,0,0|2,0,0]=4 2221 B10R1.10 CCOc1ccc[n+](c1)[O-] fe135ea11184d89f3d575034577b6c53 [1,1,0,0,0,0|2,0,0]=4 2222 B10R1.10 CCOc1cccc(=O)[nH]1 c94839f401af37d9f4dfdf393db93386 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [1,1,0,0,0,0|1,0,0]=3 2224 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [1,1,0,0,0,0|1,0,0]=3 2225 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [1,1,0,0,0,0|1,0,0]=3 2226 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [1,1,0,0,0,0|1,0,0]=3 2227 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [1,1,0,0,0,0|1,0,0]=3 2228 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [1,1,0,0,0,0|1,0,0]=3 2229 B10R1.10 CCOc1cccc(n1)Br 7baff524721e41ab6ff879a1139b25ea [1,1,0,0,0,0|2,0,0]=4 2230 B10R1.10 CCOc1cccc(n1)C 8886c898bef83c4de5a441ddd5f1e8cd [1,1,0,0,0,0|2,0,0]=4 2231 B10R1.10 CCOc1cccc(n1)F d128ec09e8d7b22b6dee7bd24841de35 [1,1,0,0,0,0|2,0,0]=4 2232 B10R1.10 CCOc1ccnc(c1)Br f5f413b01305a0260bc310cf9726afec [1,1,0,0,0,0|2,0,0]=4 2233 B10R1.10 CCOc1ccnc(c1)C 4df81811aab21f04d442f5835764e2f5 [1,1,0,0,0,0|2,0,0]=4 2234 B10R1.10 CCOc1ccnc(c1)Cl 18f5c214b51f15f58d3b02a0d1cd8938 [1,1,0,0,0,0|2,0,0]=4 2235 B10R1.10 CCOc1ccnc(c1)F f1a83957d98d4974100f6d16082a66d4 [1,1,0,0,0,0|2,0,0]=4 2236 B10R1.10 CCOc1cncc(c1)C 9fa5233d4ea9ce3b8225bbc243f1f651 [1,1,0,0,0,0|2,0,0]=4 2237 B10R1.10 CCOc1cncc(c1)Cl a02433d9cea7b28adfbfbce32981ccfd [1,1,0,0,0,0|2,0,0]=4 2238 B10R1.10 CCOc1cncc(c1)F 31714c319aae0ab59ee10e9b01cc1a2a [1,1,0,0,0,0|2,0,0]=4 2239 B10R1.10 CCOc1cncc(c1)I 50cf1cd1a59fe9ac9a9438b380797254 [1,1,0,0,0,0|2,0,0]=4 2240 B10R1.10 Cc1cc(ccn1)NCO 353dcdae75673eff669a504a76ea86a7 [1,1,0,0,0,0|2,0,0]=4 2241 B10R1.10 Cc1cccc(c1)NCF f51cf3458817b85dd255a9237b903e6d [1,1,0,0,0,0|2,0,0]=4 2242 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [1,1,0,0,0,0|1,0,0]=3 2243 B10R1.10 Cc1cccc(c1)OCF 44a22e926d5d6090dde9bff2fda50b6b [1,1,0,0,0,0|2,0,0]=4 2244 B10R1.10 Cc1cccc(n1)NCO 14b645ff6dbf83910f77237887d6e3d4 [1,1,0,0,0,0|2,0,0]=4 2245 B10R1.10 Cc1ccnc(c1)NCO 65994d174363031ffa8868b3de8821ab [1,1,0,0,0,0|2,0,0]=4 2246 B10R1.10 Cc1cncc(c1)NCO ee496a79f8157af8a8b0a0a3c499d815 [1,1,0,0,0,0|2,0,0]=4 2247 B10R1.10 FCNc1cccc(c1)Br c9704cbdbb1fdbdf56d8ebff639cbd91 [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.10 FCNc1cccc(c1)Cl b872f9905f1be884c21a425e188a3799 [1,1,0,0,0,0|2,0,0]=4 2249 B10R1.10 FCNc1cccc(c1)F 7d4f26ca413cdb267cd9918eadc7e27c [1,1,0,0,0,0|2,0,0]=4 2250 B10R1.10 FCNc1cccc(c1)I e0561328f6c898e6107a8b27b3024339 [1,1,0,0,0,0|2,0,0]=4 2251 B10R1.10 FCNc1cccc(c1)S 086bce0acd48689019a74b3e6fa25e44 [1,1,0,0,0,0|2,0,0]=4 2252 B10R1.10 FCOc1cccc(c1)Br 80d2510913f89b70a700b0a85c7b5f8c [1,1,0,0,0,0|2,0,0]=4 2253 B10R1.10 FCOc1cccc(c1)Cl 923cd2deba2a91f957f577166c83db17 [1,1,0,0,0,0|2,0,0]=4 2254 B10R1.10 FCOc1cccc(c1)F 32af0f234c8dc4ce890ff812ba75b297 [1,1,0,0,0,0|2,0,0]=4 2255 B10R1.10 FCOc1cccc(c1)I 162f72df4c690124de0a310faac4bb60 [1,1,0,0,0,0|2,0,0]=4 2256 B10R1.10 FCOc1cccc(c1)S 89704a073d3d1c53c665a8dc23513f21 [1,1,0,0,0,0|2,0,0]=4 2257 B10R1.10 OCNc1cc(ccn1)Br 16aad26f9e609d5d8d2a1c7fb05ca65b [1,1,0,0,0,0|2,0,0]=4 2258 B10R1.10 OCNc1cc(ccn1)Cl 2b06f0190859c78504d004a8e6534b2d [1,1,0,0,0,0|2,0,0]=4 2259 B10R1.10 OCNc1cc(ccn1)F c7590a86957b6cff19c24517f150f55d [1,1,0,0,0,0|2,0,0]=4 2260 B10R1.10 OCNc1cc(ccn1)I fe68574e126dc1d2ad8fea565fb194e5 [1,1,0,0,0,0|2,0,0]=4 2261 B10R1.10 OCNc1cc[nH]c(=S)c1 85b1a0788ca6a1ae6d09278931ec345f [1,1,0,0,0,0|2,0,0]=4 2262 B10R1.10 OCNc1cccc(c1)Br 87332989ccf0a06305ed11c761d0693f [1,1,0,0,0,0|1,0,0]=3 2263 B10R1.10 OCNc1cccc(c1)Cl 68445f3d0584c980a0fba61df5ca8efe [1,1,0,0,0,0|1,0,0]=3 2264 B10R1.10 OCNc1cccc(c1)F 24a19ac850850294d97609fe4487e656 [1,1,0,0,0,0|1,0,0]=3 2265 B10R1.10 OCNc1cccc(c1)I ac2d74171e11e079d9ebd4692866b125 [1,1,0,0,0,0|1,0,0]=3 2266 B10R1.10 OCNc1cccc(c1)S 0a81563d3a78719492df94f2bfff9ef9 [1,1,0,0,0,0|1,0,0]=3 2267 B10R1.10 OCNc1cccc(n1)Br ec23cf0a73dbcad5ea46c52481edfe7e [1,1,0,0,0,0|2,0,0]=4 2268 B10R1.10 OCNc1cccc(n1)Cl 9e37454f7ddda321db943a2776f00577 [1,1,0,0,0,0|2,0,0]=4 2269 B10R1.10 OCNc1cccc(n1)F 8cbd1461b9b16d73df43b4022a07d4b9 [1,1,0,0,0,0|2,0,0]=4 2270 B10R1.10 OCNc1cccc(n1)I 3dfc93003bb9b64fea97872de444ea1b [1,1,0,0,0,0|2,0,0]=4 2271 B10R1.10 OCNc1ccnc(c1)Br f34c84263462672ec08c1545d87606f1 [1,1,0,0,0,0|2,0,0]=4 2272 B10R1.10 OCNc1ccnc(c1)Cl 035bab7c33e3139ab7e61c532e36a8da [1,1,0,0,0,0|2,0,0]=4 2273 B10R1.10 OCNc1ccnc(c1)F 8f926e1f9368883964881b96087d85c9 [1,1,0,0,0,0|2,0,0]=4 2274 B10R1.10 OCNc1ccnc(c1)I 9c2baa838f3f9d27815664d79d1a550a [1,1,0,0,0,0|2,0,0]=4 2275 B10R1.10 OCNc1cncc(c1)Br 22786331e0dc6b8b09cf20d0897d5f3b [1,1,0,0,0,0|2,0,0]=4 2276 B10R1.10 OCNc1cncc(c1)Cl 258ed832222e8466a5881e98d79e789b [1,1,0,0,0,0|2,0,0]=4 2277 B10R1.10 OCNc1cncc(c1)F 2545bb631007d7963e0a0dd86ab2e1bf [1,1,0,0,0,0|2,0,0]=4 2278 B10R1.10 OCNc1cncc(c1)I 73140cc0c98763c1139ab7b397b91de3 [1,1,0,0,0,0|2,0,0]=4 2279 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [1,1,0,0,0,0|1,0,0]=3 2280 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [1,1,0,0,0,0|2,0,0]=4 2281 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [1,1,0,0,0,0|2,0,0]=4 2282 B10R1.15 CN(CO)c1ccccn1 a93cc933fdb4d1c91563e07701d40cda [1,1,0,0,0,0|2,0,0]=4 2283 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [1,1,0,0,0,0|2,0,0]=4 2284 B10R1.15 CN(CO)c1ccncc1 80b84f29ca23cc8379579376d55abff3 [1,1,0,0,0,0|2,0,0]=4 2285 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [1,1,0,0,0,0|1,0,0]=3 2286 B10R1.18 CC(C)Nc1ccccn1 8f41ba2831fdc97ef841b17526dcf604 [1,1,0,0,0,0|2,0,0]=4 2287 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [1,1,0,0,0,0|2,0,0]=4 2288 B10R1.18 CC(C)Nc1ccncc1 ed919cf6533ea85c87fe5a974cf5c4b4 [1,1,0,0,0,0|2,0,0]=4 2289 B10R1.18 CC(C)Oc1ccccn1 0855bdc27823287e98107cda25a8e4de [1,1,0,0,0,0|2,0,0]=4 2290 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [1,1,0,0,0,0|2,0,0]=4 2291 B10R1.18 CC(C)Oc1ccncc1 fcbd1de824cfd0b7040632344868de57 [1,1,0,0,0,0|2,0,0]=4 2292 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [0,1,0,0,1,0|2,0,0]=4 2293 B10R1.11 CC(NCO)c1cccs1 57f1df017ba61f98516629346c2ff8bc [0,1,0,0,1,0|2,0,0]=4 2294 B10R1.11 CC(NCO)c1ccoc1 66a7792dbb080076fcfa4132d4649f7a [0,1,0,0,1,0|2,0,0]=4 2295 B10R1.11 CC(NCO)c1ccsc1 7ca094de61a6ebe4b467e6f765526a6e [0,1,0,0,1,0|2,0,0]=4 2296 B10R1.11 CN(CCO)c1ccsc1 69b2722aa24c23449d8caf7d1e698473 [0,1,0,0,1,0|2,0,0]=4 2297 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [0,1,0,0,1,0|2,0,0]=4 2298 B10R1.11 C[C@@H](NCO)c1cccs1 d8a308363d883f0d052036fc489c8b20 [0,1,0,0,1,0|2,0,0]=4 2299 B10R1.11 C[C@H](NCO)c1cccs1 6e24574b17ea4cff857ea41b549a952c [0,1,0,0,1,0|2,0,0]=4 2300 B10R1.11 C[C@H](NCO)c1ccoc1 318928d6ca97dc12d4ced0438597e8cb [0,1,0,0,1,0|2,0,0]=4 2301 B10R1.11 C[C@H](NCO)c1ccsc1 3ccce1869e969f1cb106df8a99200c89 [0,1,0,0,1,0|2,0,0]=4 2302 B10R1.16 Cc1ccc(o1)CNCO d041abacf9ec57978eefc828a709cf3e [0,1,0,0,1,0|2,0,0]=4 2303 B10R1.16 Cc1ccc(o1)NCCO 0ad3b90a9625fc21f82fe655b7cdc742 [0,1,0,0,1,0|2,0,0]=4 2304 B10R1.16 Cc1ccc(s1)CNCO df761bf9bd328a42f412210e8a880891 [0,1,0,0,1,0|2,0,0]=4 2305 B10R1.16 Cc1ccc(s1)NCCO b598b8743faf9a1bd4b2c6b438995125 [0,1,0,0,1,0|2,0,0]=4 2306 B10R1.16 Cc1coc(c1)CNCO 5b5b73a61003865e547d61948f29c963 [0,1,0,0,1,0|2,0,0]=4 2307 B10R1.16 Cc1csc(c1)CNCO 2079db41cb1b3c0fb4eedffcef768984 [0,1,0,0,1,0|2,0,0]=4 2308 B10R1.16 OCCNc1ccc(s1)Br f7d5a0c35da5629777219d236ed0c3cf [0,1,0,0,1,0|2,0,0]=4 2309 B10R1.16 OCCNc1ccc(s1)F a10a239aa1b4aeb80cdd1d25606d2a37 [0,1,0,0,1,0|2,0,0]=4 2310 B10R1.16 OCNCc1cc(c[nH]1)Br 717ee8feafff3c4f47218d7b4b4dcbd6 [0,1,0,0,1,0|2,0,0]=4 2311 B10R1.16 OCNCc1cc(cs1)Br 5d1d413ffc07e57dec1ff88ee6791bf2 [0,1,0,0,1,0|2,0,0]=4 2312 B10R1.16 OCNCc1cc(cs1)Cl 4cf3e0562e22c0bfb6f1a90d357197f0 [0,1,0,0,1,0|2,0,0]=4 2313 B10R1.16 OCNCc1ccc(o1)Br 08a281115b04d71cce5c630e22bdaf6c [0,1,0,0,1,0|2,0,0]=4 2314 B10R1.16 OCNCc1ccc(s1)Br 228654157caa9f1e510203fea88c980d [0,1,0,0,1,0|2,0,0]=4 2315 B10R1.16 OCNCc1ccc(s1)Cl a536ae2dfd77bc428fb4ed4b4fc5b317 [0,1,0,0,1,0|2,0,0]=4 2316 B10R1.16 OCNCc1ccc(s1)F 1b50af2da11a75aa7e9b2aa950182c4a [0,1,0,0,1,0|2,0,0]=4 2317 B10R1.16 OCNCc1csc(c1)Br 79036a8ca9d1e67da7d53855461e9fad [0,1,0,0,1,0|2,0,0]=4 2318 B10R1.16 OCNCc1csc(c1)Cl 82a5fbf16bb3e4f1b824e90bab2aa18c [0,1,0,0,1,0|2,0,0]=4 2319 B10R1.21 BrCCNCc1ccco1 8c5e0347db7e3491c86fcbf95c4451a4 [0,1,0,0,1,0|2,0,0]=4 2320 B10R1.21 BrCCNCc1cccs1 43e40805d56566d68eaea0b456027ed9 [0,1,0,0,1,0|2,0,0]=4 2321 B10R1.21 BrCCNCc1ccsc1 743deed463729b1cf9f0830f42336f0a [0,1,0,0,1,0|2,0,0]=4 2322 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [0,1,0,0,1,0|2,0,0]=4 2323 B10R1.21 CCCCNc1cccs1 d0e1e22576c5f6dbd0951ff409f4ab02 [0,1,0,0,1,0|2,0,0]=4 2324 B10R1.21 CCCCNc1ccoc1 640322940a87afc9d827bccc7d39ae5e [0,1,0,0,1,0|2,0,0]=4 2325 B10R1.21 CCCCNc1ccsc1 c64d8e4067791c5f42e37c69db44e430 [0,1,0,0,1,0|2,0,0]=4 2326 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [0,1,0,0,1,0|2,0,0]=4 2327 B10R1.21 CCCCOc1cccs1 d524184ff2bb44cbc7ae5ab279df4ef4 [0,1,0,0,1,0|2,0,0]=4 2328 B10R1.21 CCCCOc1ccsc1 770f8463a70d6c9063754e6f8e52cc5c [0,1,0,0,1,0|2,0,0]=4 2329 B10R1.21 CCCNCc1cc[nH]c1 4f9270308a7b6b414b088262dd2b2c1b [0,1,0,0,1,0|2,0,0]=4 2330 B10R1.21 CCCNCc1ccc[nH]1 389a419bddfc3ec4dd8aa13cc5a47be3 [0,1,0,0,1,0|2,0,0]=4 2331 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [0,1,0,0,1,0|2,0,0]=4 2332 B10R1.21 CCCNCc1cccs1 a6b46c4b7b3d26eb24d84a1cd913df52 [0,1,0,0,1,0|2,0,0]=4 2333 B10R1.21 CCCNCc1ccoc1 77a12cc2355259eba3cfabf094f8d919 [0,1,0,0,1,0|2,0,0]=4 2334 B10R1.21 CCCNCc1ccsc1 66232677ec2023d5a802635b8a1a6d73 [0,1,0,0,1,0|2,0,0]=4 2335 B10R1.21 CCCOCc1cc[nH]c1 1c6e3834cbfb57fddc05135d2d1d0cc0 [0,1,0,0,1,0|2,0,0]=4 2336 B10R1.21 CCCOCc1ccc[nH]1 cd7c6439400e4582d3103a4de108225f [0,1,0,0,1,0|2,0,0]=4 2337 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [0,1,0,0,1,0|2,0,0]=4 2338 B10R1.21 CCCOCc1cccs1 a6f03adf2a826c0d56d546cb620a5207 [0,1,0,0,1,0|2,0,0]=4 2339 B10R1.21 CCCOCc1ccoc1 350ab1ab3ec612f4eb7fb879044afc2a [0,1,0,0,1,0|2,0,0]=4 2340 B10R1.21 CCCOCc1ccsc1 c1bc026f3b06598ff523439403fe1fe6 [0,1,0,0,1,0|2,0,0]=4 2341 B10R1.21 CCNCCc1ccc[nH]1 8213ac8e4b9d94b1198a75f34bf94d78 [0,1,0,0,1,0|2,0,0]=4 2342 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [0,1,0,0,1,0|2,0,0]=4 2343 B10R1.21 CCNCCc1cccs1 f1bb449dfb857924f62fa7b623b4a581 [0,1,0,0,1,0|2,0,0]=4 2344 B10R1.21 CCNCCc1ccsc1 2ea71ee3ba82753ba2a28e730c57ed02 [0,1,0,0,1,0|2,0,0]=4 2345 B10R1.21 CCNCCn1cccc1 d2c2451b9536ba91b7a45cd25defb648 [0,1,0,0,1,0|2,0,0]=4 2346 B10R1.21 CCOCCc1ccc[nH]1 8ef61c623e3daff29562378e78c2e3e6 [0,1,0,0,1,0|2,0,0]=4 2347 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [0,1,0,0,1,0|2,0,0]=4 2348 B10R1.21 CCOCCc1cccs1 acaaec43fbd0c8ea9b4724789b403b3c [0,1,0,0,1,0|2,0,0]=4 2349 B10R1.21 CCOCCc1ccoc1 036407c3a22d5cc5d73147c1dce3e7e4 [0,1,0,0,1,0|2,0,0]=4 2350 B10R1.21 CCOCCc1ccsc1 ca4812c0bdd5d5c44828e294c88d13c1 [0,1,0,0,1,0|2,0,0]=4 2351 B10R1.21 CCOCCn1cccc1 b8b6f334754cac390d35c493d0f942fe [0,1,0,0,1,0|2,0,0]=4 2352 B10R1.21 COCCNc1ccco1 6446037fd2435f1d5d632a2ea17e6335 [0,1,0,0,1,0|2,0,0]=4 2353 B10R1.21 COCCNc1cccs1 4679346317f357faed462ffad2613f4e [0,1,0,0,1,0|2,0,0]=4 2354 B10R1.21 COCCNc1ccoc1 9d6bf01177d31be17a28caf95f550025 [0,1,0,0,1,0|2,0,0]=4 2355 B10R1.21 COCCNc1ccsc1 fa12ac19f0680dbd0ab3feff8ede4d6f [0,1,0,0,1,0|2,0,0]=4 2356 B10R1.21 COCCOc1ccco1 7edab0eeb45cb66520c905082a1511e1 [0,1,0,0,1,0|2,0,0]=4 2357 B10R1.21 COCCOc1cccs1 376aff47162023b820da889700ce60b2 [0,1,0,0,1,0|2,0,0]=4 2358 B10R1.21 COCCOc1ccsc1 e986a4921184eaf2e88bed3033e7fa91 [0,1,0,0,1,0|2,0,0]=4 2359 B10R1.21 COCNCc1cc[nH]c1 76f00173f5381901b807ffc69f5b23d6 [0,1,0,0,1,0|2,0,0]=4 2360 B10R1.21 COCNCc1ccc[nH]1 beb90f93b0b4d35af75c15067af5f89f [0,1,0,0,1,0|2,0,0]=4 2361 B10R1.21 COCNCc1ccco1 ab0a134b649505be2ef4a9f4f282a23e [0,1,0,0,1,0|2,0,0]=4 2362 B10R1.21 COCNCc1cccs1 75615c372e8efa80d8b79813eacfd51c [0,1,0,0,1,0|2,0,0]=4 2363 B10R1.21 COCNCc1ccoc1 b9bee659116f1fbfd5e48ad504ac6d3a [0,1,0,0,1,0|2,0,0]=4 2364 B10R1.21 COCNCc1ccsc1 11890153644e1e909af9b7b2120aad7a [0,1,0,0,1,0|2,0,0]=4 2365 B10R1.21 COCOCc1cc[nH]c1 5e7354b1e989aa7eb0bc5dc13f8b4885 [0,1,0,0,1,0|2,0,0]=4 2366 B10R1.21 COCOCc1ccc[nH]1 8602fb3b96d0845f62a61e91c638d526 [0,1,0,0,1,0|2,0,0]=4 2367 B10R1.21 COCOCc1ccco1 529eee71e246af8b856ae502514aa81f [0,1,0,0,1,0|2,0,0]=4 2368 B10R1.21 COCOCc1cccs1 8035084dd952e2619b91998ee1e10055 [0,1,0,0,1,0|2,0,0]=4 2369 B10R1.21 COCOCc1ccsc1 4290534bcd79846327c3dde1810f4ca1 [0,1,0,0,1,0|2,0,0]=4 2370 B10R1.21 ClCCCNc1ccco1 a6f130c8c0731f6a37b1f6ee951076be [0,1,0,0,1,0|2,0,0]=4 2371 B10R1.21 ClCCCNc1cccs1 fbce81ff25a9f7a9cf998778e28fb8cd [0,1,0,0,1,0|2,0,0]=4 2372 B10R1.21 ClCCCNc1ccoc1 45cbe26bd89149fd3b41290c34621bb6 [0,1,0,0,1,0|2,0,0]=4 2373 B10R1.21 ClCCCNc1ccsc1 3f2b42cb684b6ab2d182bb19953e2d11 [0,1,0,0,1,0|2,0,0]=4 2374 B10R1.21 FCCCNc1cccs1 31ac9134e6d62b97401471d4ea45a70d [0,1,0,0,1,0|2,0,0]=4 2375 B10R1.21 FCCCNc1ccsc1 3ee6cbb1cf3abdca53f0740d296c57c4 [0,1,0,0,1,0|2,0,0]=4 2376 B10R1.21 FCCCOc1ccco1 51fe91774b9f4c69189217cc23692685 [0,1,0,0,1,0|2,0,0]=4 2377 B10R1.21 FCCCOc1cccs1 8b580ea4e86b76b5b7438bc561b77a9d [0,1,0,0,1,0|2,0,0]=4 2378 B10R1.21 FCCCOc1ccsc1 438c40c40c45bfa196d08c79e52af258 [0,1,0,0,1,0|2,0,0]=4 2379 B10R1.21 FCCNCc1cc[nH]c1 12b03c5bf60ed345aad949b52a3627a9 [0,1,0,0,1,0|2,0,0]=4 2380 B10R1.21 FCCNCc1ccc[nH]1 fe349d4505b9ed5370e7b07649f649bf [0,1,0,0,1,0|2,0,0]=4 2381 B10R1.21 FCCNCc1ccco1 eb7e2df8659dc52d8124585605ffbbe6 [0,1,0,0,1,0|2,0,0]=4 2382 B10R1.21 FCCNCc1cccs1 64161443947eeac79824d623f6441f8e [0,1,0,0,1,0|2,0,0]=4 2383 B10R1.21 FCCNCc1ccoc1 88527084bc9c645453ef6e2c7422530b [0,1,0,0,1,0|2,0,0]=4 2384 B10R1.21 FCCNCc1ccsc1 b3ab66b91af8c34ea5a2cd9a10019f7f [0,1,0,0,1,0|2,0,0]=4 2385 B10R1.21 FCCOCc1cc[nH]c1 0b33f8207834ef515f28cd4042eb5f0d [0,1,0,0,1,0|2,0,0]=4 2386 B10R1.21 FCCOCc1ccc[nH]1 ae4bdf41a693ab4b17eedd9a1b3e71bd [0,1,0,0,1,0|2,0,0]=4 2387 B10R1.21 FCCOCc1ccco1 967242227467dd8667ea4ec0e6be7d8a [0,1,0,0,1,0|2,0,0]=4 2388 B10R1.21 FCCOCc1cccs1 89e5f151596724dfb35cbde55e473498 [0,1,0,0,1,0|2,0,0]=4 2389 B10R1.21 FCCOCc1ccoc1 10bfd977f72341b62d2bfca992e3d43b [0,1,0,0,1,0|2,0,0]=4 2390 B10R1.21 FCCOCc1ccsc1 5cdc15980f6632241d058e32b9b99b5d [0,1,0,0,1,0|2,0,0]=4 2391 B10R1.21 FCNCCc1ccc[nH]1 7f781d01a7bc67bc21d7d7beac4484f1 [0,1,0,0,1,0|2,0,0]=4 2392 B10R1.21 FCNCCc1ccco1 c274e2fe40f74a5250d921378d833f9d [0,1,0,0,1,0|2,0,0]=4 2393 B10R1.21 FCNCCc1cccs1 88ba79d1c29808d8d8edddbef80e3f02 [0,1,0,0,1,0|2,0,0]=4 2394 B10R1.21 FCNCCc1ccsc1 078e8a1eb650ec980524b1574dc15e3e [0,1,0,0,1,0|2,0,0]=4 2395 B10R1.21 FCNCCn1cccc1 402f5d0de25cd5256b0ed7e4d9cf69c0 [0,1,0,0,1,0|2,0,0]=4 2396 B10R1.21 FCOCCc1ccc[nH]1 c9539e478ac1399bce062501fc9ca424 [0,1,0,0,1,0|2,0,0]=4 2397 B10R1.21 FCOCCc1ccco1 b932bcc9cfe884b19a450cd3b0242ac1 [0,1,0,0,1,0|2,0,0]=4 2398 B10R1.21 FCOCCc1cccs1 3cabc60798d0a799d77c6a3a1fd267e4 [0,1,0,0,1,0|2,0,0]=4 2399 B10R1.21 FCOCCc1ccoc1 e77eab8c1d929f532887b6d2fc60e6b0 [0,1,0,0,1,0|2,0,0]=4 2400 B10R1.21 FCOCCc1ccsc1 a19a3727c3d02698fba58a803ae6170e [0,1,0,0,1,0|2,0,0]=4 2401 B10R1.21 FCOCCn1cccc1 53b19cefaea779d5126b463e4453f16e [0,1,0,0,1,0|2,0,0]=4 2402 B10R1.21 ICCNCc1ccco1 bd983b5b71179f97af0b655fa1b40bbd [0,1,0,0,1,0|2,0,0]=4 2403 B10R1.21 ICCNCc1cccs1 0562d9fcb39a15007547660ec9667d57 [0,1,0,0,1,0|2,0,0]=4 2404 B10R1.21 ICCNCc1ccsc1 479253904987ab74bf54c81f40b73b2f [0,1,0,0,1,0|2,0,0]=4 2405 B10R1.21 NOCCNc1ccco1 982512c5e2d50fb1ae411cdaf4bf2093 [0,1,0,0,1,0|2,0,0]=4 2406 B10R1.21 NOCCNc1cccs1 69e4d1de354c8d522c3eb86313f8e589 [0,1,0,0,1,0|2,0,0]=4 2407 B10R1.21 NOCCNc1ccoc1 146061510fa0f5793076d9ae116551fd [0,1,0,0,1,0|2,0,0]=4 2408 B10R1.21 NOCCNc1ccsc1 bb60a1df3af9aafc34e1cc94c0a39607 [0,1,0,0,1,0|2,0,0]=4 2409 B10R1.21 OCCCNc1c[nH]cn1 2de53448b514834c1715e8bdec519e9c [0,1,0,0,1,0|2,0,0]=4 2410 B10R1.21 OCCCNc1cc[nH]n1 665e79f0200627856c921cf1756ca0c6 [0,1,0,0,1,0|2,0,0]=4 2411 B10R1.21 OCCCNc1ccco1 4d624025932b70b0c8be48d0b7350012 [0,1,0,0,1,0|1,0,0]=3 2412 B10R1.21 OCCCNc1cccs1 55eef094d687f19b3a4b8d33bdca1f77 [0,1,0,0,1,0|1,0,0]=3 2413 B10R1.21 OCCCNc1ccno1 635acccfbfa77aa72ef18cbdba2e4a73 [0,1,0,0,1,0|2,0,0]=4 2414 B10R1.21 OCCCNc1ccns1 2abba91217211665393dd7c873308219 [0,1,0,0,1,0|2,0,0]=4 2415 B10R1.21 OCCCNc1ccoc1 a2c22332826702b9812fcc31344f26aa [0,1,0,0,1,0|1,0,0]=3 2416 B10R1.21 OCCCNc1ccon1 a2336d2dfac82db6e6440c8656828024 [0,1,0,0,1,0|2,0,0]=4 2417 B10R1.21 OCCCNc1ccsc1 e22178c1525770ab4ddf46226ba46d05 [0,1,0,0,1,0|1,0,0]=3 2418 B10R1.21 OCCCNc1ccsn1 b9fe66ef925d6ce96d94b099d68ecf8e [0,1,0,0,1,0|2,0,0]=4 2419 B10R1.21 OCCCNc1cn[nH]c1 c9e07ee2ed8fce40e455fe8d22db2a60 [0,1,0,0,1,0|2,0,0]=4 2420 B10R1.21 OCCCNc1cncs1 f4f472e56ee02593abe12f394f374375 [0,1,0,0,1,0|2,0,0]=4 2421 B10R1.21 OCCCNc1cnoc1 cc5d50b3f265249e207cf56806fde062 [0,1,0,0,1,0|2,0,0]=4 2422 B10R1.21 OCCCNc1cnsc1 132e705f536e25e723b480d53a8b57cb [0,1,0,0,1,0|2,0,0]=4 2423 B10R1.21 OCCCNc1cocn1 66631e4f38136054e36eacbc38421a1b [0,1,0,0,1,0|2,0,0]=4 2424 B10R1.21 OCCCNc1cscn1 55aa9c9e9d91d92306ed9d031c8b037d [0,1,0,0,1,0|2,0,0]=4 2425 B10R1.21 OCCCNc1ncc[nH]1 9150591d7491467e9d32b7dc244fa38c [0,1,0,0,1,0|2,0,0]=4 2426 B10R1.21 OCCCNc1ncco1 9df59432fe5a095679b4136a055b46e3 [0,1,0,0,1,0|2,0,0]=4 2427 B10R1.21 OCCCNc1nccs1 18202e8ee8fe60275cf2bd7f986c8c5b [0,1,0,0,1,0|2,0,0]=4 2428 B10R1.21 OCCNCc1cc[nH]c1 1974eebb7f947b66ca2a4964cdd9e9e8 [0,1,0,0,1,0|1,0,0]=3 2429 B10R1.21 OCCNCc1ccc[nH]1 70b9ba075cfc1760e2d08e9e1fd27a85 [0,1,0,0,1,0|1,0,0]=3 2430 B10R1.21 OCCNCc1ccco1 507ba03e75d5eda37d046de9368bba24 [0,1,0,0,1,0|1,0,0]=3 2431 B10R1.21 OCCNCc1cccs1 20c6d4950b663f50a5c3f4e3a3001297 [0,1,0,0,1,0|1,0,0]=3 2432 B10R1.21 OCCNCc1ccn[nH]1 4c13940dc53c607482e0f659789d5783 [0,1,0,0,1,0|2,0,0]=4 2433 B10R1.21 OCCNCc1ccno1 b763edfde848a777eb1e851ff547f816 [0,1,0,0,1,0|2,0,0]=4 2434 B10R1.21 OCCNCc1ccns1 4037cab63795a3fc95ea4eca51814b3f [0,1,0,0,1,0|2,0,0]=4 2435 B10R1.21 OCCNCc1ccoc1 e28b91217cb847e46f31456c51055291 [0,1,0,0,1,0|1,0,0]=3 2436 B10R1.21 OCCNCc1ccon1 9f93ff3f4983f30c45a8acb003b86684 [0,1,0,0,1,0|2,0,0]=4 2437 B10R1.21 OCCNCc1ccsc1 10fb8a848ce67b96a4bb082e495feac9 [0,1,0,0,1,0|1,0,0]=3 2438 B10R1.21 OCCNCc1ccsn1 8cb2daf464b89475dabd09832c4e0843 [0,1,0,0,1,0|2,0,0]=4 2439 B10R1.21 OCCNCc1cn[nH]c1 2f9c183d9ca1e9a33a24e7a5532c31c7 [0,1,0,0,1,0|2,0,0]=4 2440 B10R1.21 OCCNCc1cnc[nH]1 4e9396b899fcc879376d6ea4bf4857e9 [0,1,0,0,1,0|2,0,0]=4 2441 B10R1.21 OCCNCc1cnco1 0dc7afd65143ae42236bcacef72c8123 [0,1,0,0,1,0|2,0,0]=4 2442 B10R1.21 OCCNCc1cncs1 2db29d636ee167bbcdb39caaddcb1300 [0,1,0,0,1,0|2,0,0]=4 2443 B10R1.21 OCCNCc1cnoc1 90258a779fb9fac20efd9dc387e41f7c [0,1,0,0,1,0|2,0,0]=4 2444 B10R1.21 OCCNCc1cnsc1 4d4a91e2b691e9f7b77edc58d57d04fd [0,1,0,0,1,0|2,0,0]=4 2445 B10R1.21 OCCNCc1cocn1 e359c236e63f935d4f4f6e8bf59c1865 [0,1,0,0,1,0|2,0,0]=4 2446 B10R1.21 OCCNCc1cscn1 d5fedcd4e1a219b8cbe9c9c0b9c2431e [0,1,0,0,1,0|2,0,0]=4 2447 B10R1.21 OCCNCc1ncc[nH]1 3ad422f58a046bcb24d6d97263e48222 [0,1,0,0,1,0|2,0,0]=4 2448 B10R1.21 OCCNCc1ncco1 e41d8f3bc0f8aecb72d6dd5103b1cd95 [0,1,0,0,1,0|2,0,0]=4 2449 B10R1.21 OCCNCc1nccs1 2be3ac7fbaee6940b3aebf32c1c64444 [0,1,0,0,1,0|2,0,0]=4 2450 B10R1.21 OCNCCc1c[nH]cn1 c090f5b8a873a83e934d30ddd4325ed3 [0,1,0,0,1,0|2,0,0]=4 2451 B10R1.21 OCNCCc1cc[nH]n1 69f0c8468b4707dd5a9636a32ff7d32e [0,1,0,0,1,0|2,0,0]=4 2452 B10R1.21 OCNCCc1ccc[nH]1 e1c3eae46650a92ca10d84d6e4068368 [0,1,0,0,1,0|1,0,0]=3 2453 B10R1.21 OCNCCc1ccco1 a517e208412caca7f657ad953f1e4b62 [0,1,0,0,1,0|1,0,0]=3 2454 B10R1.21 OCNCCc1cccs1 1b8ef25e4acd5b269ce70b8ca5f424ab [0,1,0,0,1,0|1,0,0]=3 2455 B10R1.21 OCNCCc1ccsc1 fbedc51742e1bca48984479dc3c8fec2 [0,1,0,0,1,0|1,0,0]=3 2456 B10R1.21 OCNCCc1cn[nH]c1 8acd34b3060e65cae8c16a762cc449e4 [0,1,0,0,1,0|2,0,0]=4 2457 B10R1.21 OCNCCc1cnoc1 2c8cf5f0b6031a26a1751d29ecc9fa28 [0,1,0,0,1,0|2,0,0]=4 2458 B10R1.21 OCNCCc1cscn1 3b65d047d0401c4eb374c6dbd74a0aa0 [0,1,0,0,1,0|2,0,0]=4 2459 B10R1.21 OCNCCc1ncc[nH]1 38fd7c643463553288d015e5ec14d164 [0,1,0,0,1,0|2,0,0]=4 2460 B10R1.21 OCNCCc1nccs1 3e5157fe8d584e1aba8e51157f1f1ff9 [0,1,0,0,1,0|2,0,0]=4 2461 B10R1.21 OCNCCn1cccc1 ffae6d28a24a6c4800c8cb0eaea07bd0 [0,1,0,0,1,0|1,0,0]=3 2462 B10R1.21 OCNCCn1cccn1 a5dc4878c7d386a5cb81780edc57d580 [0,1,0,0,1,0|2,0,0]=4 2463 B10R1.21 OCNCCn1ccnc1 e76c742d468ae99a1992bd9e220022d5 [0,1,0,0,1,0|2,0,0]=4 2464 B10R1.21 SCCCNc1cccs1 b2bd8dd51f559a41d4ab60443e74a227 [0,1,0,0,1,0|1,1,0]=4 2465 B10R1.21 SCCCNc1ccsc1 553a74043418a212ee70d4a2e2dd39e0 [0,1,0,0,1,0|1,1,0]=4 2466 B10R1.21 SCCCOc1ccco1 22a1a116d80173010e46f2c2d267ec66 [0,1,0,0,1,0|1,1,0]=4 2467 B10R1.21 SCCCOc1cccs1 6f93465f61b75a0424c0871f86fddc3d [0,1,0,0,1,0|1,1,0]=4 2468 B10R1.21 SCCCOc1ccsc1 b9281975dbce32450eafdda76aeacab0 [0,1,0,0,1,0|1,1,0]=4 2469 B10R1.21 SCCNCc1cc[nH]c1 0a05c99a61957489ccd083a73d9af7a8 [0,1,0,0,1,0|1,1,0]=4 2470 B10R1.21 SCCNCc1ccc[nH]1 92f814f4f9ebad9c76a5b62d4428e6dc [0,1,0,0,1,0|1,1,0]=4 2471 B10R1.21 SCCNCc1ccco1 4422157518229a6c95ffdca9589320be [0,1,0,0,1,0|1,1,0]=4 2472 B10R1.21 SCCNCc1cccs1 c14456af873f39673f7684598253f2ef [0,1,0,0,1,0|1,1,0]=4 2473 B10R1.21 SCCNCc1ccoc1 1e09f98aead9483e49c58b3836e927e3 [0,1,0,0,1,0|1,1,0]=4 2474 B10R1.21 SCCNCc1ccsc1 a4585e6b47d0647c14037bd597cc251b [0,1,0,0,1,0|1,1,0]=4 2475 B10R1.21 SCCOCc1cc[nH]c1 330b81691ffc744cf4363fbdcca7531a [0,1,0,0,1,0|1,1,0]=4 2476 B10R1.21 SCCOCc1ccc[nH]1 4f192c4e8c3ebd7c553bf2c300880016 [0,1,0,0,1,0|1,1,0]=4 2477 B10R1.21 SCCOCc1ccco1 eb21d9a30652a8f888082605ebcb92a4 [0,1,0,0,1,0|1,1,0]=4 2478 B10R1.21 SCCOCc1cccs1 19c807d132dc7313aa96049bd57665ef [0,1,0,0,1,0|1,1,0]=4 2479 B10R1.21 SCCOCc1ccoc1 98d19ae76b74624ea52c5c78c7b3cddf [0,1,0,0,1,0|1,1,0]=4 2480 B10R1.21 SCCOCc1ccsc1 81805954561c684dcbf7235bf9192fc9 [0,1,0,0,1,0|1,1,0]=4 2481 B10R1.27 CC(CO)Nc1ccsc1 d4ef7cd17bf5b12d95fcbd94ec641690 [0,1,0,0,1,0|2,0,0]=4 2482 B10R1.27 CN(CO)Cc1ccc[nH]1 c72aaf1507d6728f270abf1c4e66a3a9 [0,1,0,0,1,0|2,0,0]=4 2483 B10R1.27 CN(CO)Cc1ccco1 e35a02611f613e4c724702badf0f544d [0,1,0,0,1,0|2,0,0]=4 2484 B10R1.27 CN(CO)Cc1cccs1 a40c7fb2047d4e6a583417f484ade9f5 [0,1,0,0,1,0|2,0,0]=4 2485 B10R1.27 CN(CO)Cc1ccoc1 618417c7a8474ba729bd3a7f7154463b [0,1,0,0,1,0|2,0,0]=4 2486 B10R1.27 CN(CO)Cc1ccsc1 39352de0e71af3ee4958607fae092fa0 [0,1,0,0,1,0|2,0,0]=4 2487 B10R1.27 C[C@@H](CO)Nc1ccsc1 0886900d68aecc92d8e1a439fbe53380 [0,1,0,0,1,0|2,0,0]=4 2488 B10R1.27 C[C@H](CO)Nc1ccsc1 a6f626205a030254be17ae1998a6bbac [0,1,0,0,1,0|2,0,0]=4 2489 B10R1.29 Cc1ccoc1CNCO 3b1ec24b65f1554651ff21c7bec117dc [0,1,0,0,1,0|2,0,0]=4 2490 B10R1.29 Cc1ccsc1NCCO 49a32e43bb25c1beeffaf1c7a3ba2439 [0,1,0,0,1,0|2,0,0]=4 2491 B10R1.29 Cc1cscc1NCCO b909db2725239e0b9460abfedff465cb [0,1,0,0,1,0|2,0,0]=4 2492 B10R1.29 Cc1occc1CNCO 4fc10a8ae65b3f0bb432accc32f35890 [0,1,0,0,1,0|2,0,0]=4 2493 B10R1.29 Cc1sccc1NCCO c0f2f4a2cfb28eb9d2f7052ce9280b59 [0,1,0,0,1,0|2,0,0]=4 2494 B10R1.29 Cn1cccc1CNCO 8797ef092b0a11a7c0adc121ee7b19c7 [0,1,0,0,1,0|2,0,0]=4 2495 B10R1.29 OCCNc1cscc1Br c23afe5bddc2900812f71b440b0a3931 [0,1,0,0,1,0|2,0,0]=4 2496 B10R1.29 OCNCc1ccsc1Br f9cbf8dcdb4f0ea30ce750b2e8b342e1 [0,1,0,0,1,0|2,0,0]=4 2497 B10R1.29 OCNCc1sccc1Br 3c3ebd02cdf6fedc08a880a1d6c85417 [0,1,0,0,1,0|2,0,0]=4 2498 B10R1.29 OCNCc1sccc1Cl 7be4dfc982a65581b6d36aa70ab20278 [0,1,0,0,1,0|2,0,0]=4 2499 B10R1.29 OCNCc1sccc1F bf7c7f8ff7b45f0365a70f93453847d6 [0,1,0,0,1,0|2,0,0]=4 2500 B10R1.66 CC(O)CNc1cccs1 60380a00e499cd7119533a566202f141 [0,1,0,0,1,0|2,0,0]=4 2501 B10R1.66 CC(O)CNc1ccoc1 6769b47f7a32452deeeae8f17954196d [0,1,0,0,1,0|2,0,0]=4 2502 B10R1.66 CC(O)CNc1ccsc1 db72e8a684aaa0a0a16c796e8ccb2de6 [0,1,0,0,1,0|2,0,0]=4 2503 B10R1.66 C[C@@H](O)CNc1ccoc1 fd903a674ccc7cf00a948503b0af1e4d [0,1,0,0,1,0|2,0,0]=4 2504 B10R1.66 C[C@@H](O)CNc1ccsc1 fedd9adc74acc64a3f97271f932d33d3 [0,1,0,0,1,0|2,0,0]=4 2505 B10R1.66 C[C@H](O)CNc1cccs1 50770c2e03ac9b3dc06cb895694b0084 [0,1,0,0,1,0|2,0,0]=4 2506 B10R1.66 C[C@H](O)CNc1ccoc1 4d244057da13584ca4afd3e1eba91d0e [0,1,0,0,1,0|2,0,0]=4 2507 B10R1.66 C[C@H](O)CNc1ccsc1 78de29156c9e729912982c390f56307c [0,1,0,0,1,0|2,0,0]=4 2508 B12R1.18 CCCNc1cccccc1=O 09505d7ac1be0a057eeab434bb2dc286 [0,1,0,0,0,1|2,0,0]=4 2509 B12R1.18 CCCOc1cccccc1=O c6bf279e24481c309b0f02f4f9001ec6 [0,1,0,0,0,1|2,0,0]=4 2510 B12R1.18 O=c1cccccc1NCCO caf6cd4f275a84ea1fea07d7d482b440 [0,1,0,0,0,1|1,0,0]=3 2511 B12R1.18 O=c1cccccc1NCCS cc91800efdd7f8d46d3701f3f85403a3 [0,1,0,0,0,1|1,1,0]=4 2512 B12R1.18 O=c1cccccc1OCCS 3510570691b0b9a538f212ffffecfcd8 [0,1,0,0,0,1|1,1,0]=4 2513 B12R1.1 BrCCNCc1ccc(cc1)Br 20450213ce8b054b984ff490a50ef1fa [0,2,0,0,0,0|1,0,0]=3 2514 B12R1.1 BrCCNCc1ccc(cc1)I cb0bc4759e46ae9c4f093aeccd44029f [0,2,0,0,0,0|1,0,0]=3 2515 B12R1.1 BrCCNCc1ccc(cn1)Br f962cfa8d175797e31e4859cbb850cf0 [0,2,0,0,0,0|2,0,0]=4 2516 B12R1.1 BrCCNCc1ccc(nc1)Br 87aa72f3239a66a38f39a5c740d9cf03 [0,2,0,0,0,0|2,0,0]=4 2517 B12R1.1 Brc1ccc(cc1)CNCCI 73ba4c9bc494173a2854cf80c7bda7f2 [0,2,0,0,0,0|1,0,0]=3 2518 B12R1.1 Brc1ccc(cn1)CNCCI a664ffc46d497d99c0c78f03dbeeb4be [0,2,0,0,0,0|2,0,0]=4 2519 B12R1.1 Brc1ccc(nc1)CNCCI 20cb5f1a1b59ccacbc538a9586523a60 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.1 C#CCCNc1ccc(cc1)Br 48d9f4a3333d3fe4fe53df3108ca7bbf [0,2,0,0,0,0|1,0,1]=4 2521 B12R1.1 C#CCCNc1ccc(cc1)C 72825946d0b2a2742246d8ec9bdc7501 [0,2,0,0,0,0|1,0,1]=4 2522 B12R1.1 C#CCCNc1ccc(cc1)Cl 0c9d4d8d8affbd9f180238845f9dc28a [0,2,0,0,0,0|1,0,1]=4 2523 B12R1.1 C#CCCNc1ccc(cc1)F b585ec89ea66d2e64e2c70d23d965742 [0,2,0,0,0,0|1,0,1]=4 2524 B12R1.1 C#CCCNc1ccc(cc1)I 992c9b3bfec4451c143f4f3fdef713ab [0,2,0,0,0,0|1,0,1]=4 2525 B12R1.1 C#CCCNc1ccc(cc1)S 15160346b9d9dd2eeccbdd6ed204e709 [0,2,0,0,0,0|1,0,1]=4 2526 B12R1.1 C#CCCOc1ccc(cc1)Br 90bab65f218a5293355c3414096f31e9 [0,2,0,0,0,0|1,0,1]=4 2527 B12R1.1 C#CCCOc1ccc(cc1)C 4ae39eaec668d523d73862b8a291a305 [0,2,0,0,0,0|1,0,1]=4 2528 B12R1.1 C#CCCOc1ccc(cc1)Cl 2358efe1f73084d5fc80339ce416d124 [0,2,0,0,0,0|1,0,1]=4 2529 B12R1.1 C#CCCOc1ccc(cc1)F d24851604e1430614941720de9040a9d [0,2,0,0,0,0|1,0,1]=4 2530 B12R1.1 C#CCCOc1ccc(cc1)I 6f2b9f67797a38e7a90ffde44e28683b [0,2,0,0,0,0|1,0,1]=4 2531 B12R1.1 C#CCCOc1ccc(cc1)S 1cb91c34fea1afe7df12981e91a38ca2 [0,2,0,0,0,0|1,0,1]=4 2532 B12R1.1 C#CCNCc1ccc(cc1)Br e2290f3b331a657082e9e95da9693e91 [0,2,0,0,0,0|1,0,1]=4 2533 B12R1.1 C#CCNCc1ccc(cc1)C 2a994c80798dee310861034c22837f00 [0,2,0,0,0,0|1,0,1]=4 2534 B12R1.1 C#CCNCc1ccc(cc1)Cl fa35d0bae050d5429106b0f12bde4120 [0,2,0,0,0,0|1,0,1]=4 2535 B12R1.1 C#CCNCc1ccc(cc1)F 71930675a8eed580c35cd02db4f7b93f [0,2,0,0,0,0|1,0,1]=4 2536 B12R1.1 C#CCNCc1ccc(cc1)I 10e4dba8184cba76f141431a9bf7d509 [0,2,0,0,0,0|1,0,1]=4 2537 B12R1.1 C#CCOCc1ccc(cc1)Br b15ea64acc335332bbd0140632abdedf [0,2,0,0,0,0|1,0,1]=4 2538 B12R1.1 C#CCOCc1ccc(cc1)C 6e4005fd7d6c453041aa068a9edf9af0 [0,2,0,0,0,0|1,0,1]=4 2539 B12R1.1 C#CCOCc1ccc(cc1)Cl 0b4792dfdd64f7ae9ca32ac81e6c76a7 [0,2,0,0,0,0|1,0,1]=4 2540 B12R1.1 C#CCOCc1ccc(cc1)F 7ac7615cdc05bcfb0a77160e928407fb [0,2,0,0,0,0|1,0,1]=4 2541 B12R1.1 C#CCOCc1ccc(cc1)I cab7864b2bff2234123569293c81687d [0,2,0,0,0,0|1,0,1]=4 2542 B12R1.1 C#CCOCc1ccc(cc1)S dcd7e06bb7d12dcf2d872f5d7fd878bd [0,2,0,0,0,0|1,0,1]=4 2543 B12R1.1 C=CCCNc1ccc(cc1)Br a8dddaaa42aff058b50ec664d48f6bac [0,2,0,0,0,0|1,0,1]=4 2544 B12R1.1 C=CCCNc1ccc(cc1)C 9faa2995fb33053f6ac559d1ed03e90d [0,2,0,0,0,0|1,0,1]=4 2545 B12R1.1 C=CCCNc1ccc(cc1)Cl 81b76ee632ac6ec6ab1bfceb3501f2b1 [0,2,0,0,0,0|1,0,1]=4 2546 B12R1.1 C=CCCNc1ccc(cc1)F 08817bd031d1061648352aa5f20acd40 [0,2,0,0,0,0|1,0,1]=4 2547 B12R1.1 C=CCCNc1ccc(cc1)I e8c90f380a0392fb3cebc9407ec04946 [0,2,0,0,0,0|1,0,1]=4 2548 B12R1.1 C=CCCNc1ccc(cc1)S f64767463bb0a521a7682840fe3edafd [0,2,0,0,0,0|1,0,1]=4 2549 B12R1.1 C=CCCOc1ccc(cc1)Br 94e47812df2545d86d3331d62576b75a [0,2,0,0,0,0|1,0,1]=4 2550 B12R1.1 C=CCCOc1ccc(cc1)C e6edc605179aa4448840cba8a7447b15 [0,2,0,0,0,0|1,0,1]=4 2551 B12R1.1 C=CCCOc1ccc(cc1)Cl 7d728c077286285b288dca86fc0d5079 [0,2,0,0,0,0|1,0,1]=4 2552 B12R1.1 C=CCCOc1ccc(cc1)F ca048b3d1d394f37c6780234634cb8de [0,2,0,0,0,0|1,0,1]=4 2553 B12R1.1 C=CCCOc1ccc(cc1)I 0a15f4b884f20a07befbc3b00bf98b27 [0,2,0,0,0,0|1,0,1]=4 2554 B12R1.1 C=CCCOc1ccc(cc1)S af8f852bbe8e5fa3d393a0db10976745 [0,2,0,0,0,0|1,0,1]=4 2555 B12R1.1 C=CCNCc1ccc(cc1)Br 355888b8a681d37256ffb8d298cf9aa8 [0,2,0,0,0,0|1,0,1]=4 2556 B12R1.1 C=CCNCc1ccc(cc1)C 1f36d3f8cd3b4d49cc5d62116694f44c [0,2,0,0,0,0|1,0,1]=4 2557 B12R1.1 C=CCNCc1ccc(cc1)Cl 11dd62e0bdbf8473fd23bb5a59a1eacd [0,2,0,0,0,0|1,0,1]=4 2558 B12R1.1 C=CCNCc1ccc(cc1)F 4d15be72f4754e46cab059d70d4be76e [0,2,0,0,0,0|1,0,1]=4 2559 B12R1.1 C=CCNCc1ccc(cc1)I 64a314ec4eebdd83c9147d05f0ab94cb [0,2,0,0,0,0|1,0,1]=4 2560 B12R1.1 C=CCOCc1ccc(cc1)Br 806248abe044909b3a432df0318fdee3 [0,2,0,0,0,0|1,0,1]=4 2561 B12R1.1 C=CCOCc1ccc(cc1)C 47e939dbfe8054deecfaba3a3473809c [0,2,0,0,0,0|1,0,1]=4 2562 B12R1.1 C=CCOCc1ccc(cc1)Cl 4bee8fab81d49d42f63eed8509aab6f8 [0,2,0,0,0,0|1,0,1]=4 2563 B12R1.1 C=CCOCc1ccc(cc1)F 1136f707ffa1d7dac49d2390d75678ef [0,2,0,0,0,0|1,0,1]=4 2564 B12R1.1 C=CCOCc1ccc(cc1)I e2d7f8d7c9a07d80e150e5bd46ee65a0 [0,2,0,0,0,0|1,0,1]=4 2565 B12R1.1 C=CCOCc1ccc(cc1)S a094ba0073c77bfa2ed05d47548d1bf3 [0,2,0,0,0,0|1,0,1]=4 2566 B12R1.1 CCCCNc1ccc(=O)[nH]c1 02a79ca1969806667926017962f8be99 [0,2,0,0,0,0|2,0,0]=4 2567 B12R1.1 CCCCNc1ccc(cc1)Br e89341169cbc44b59d16faec024cd1cb [0,2,0,0,0,0|1,0,0]=3 2568 B12R1.1 CCCCNc1ccc(cc1)C 0509e0e75b6937a8ea7e0f62aa8886c7 [0,2,0,0,0,0|1,0,0]=3 2569 B12R1.1 CCCCNc1ccc(cc1)Cl 1775dd898ae9be4c4106930801b27a2f [0,2,0,0,0,0|1,0,0]=3 2570 B12R1.1 CCCCNc1ccc(cc1)F 205012603421f378155c17b633b33114 [0,2,0,0,0,0|1,0,0]=3 2571 B12R1.1 CCCCNc1ccc(cc1)I 92f4d6d08bf3c52ef14290fb1084639a [0,2,0,0,0,0|1,0,0]=3 2572 B12R1.1 CCCCNc1ccc(cc1)S 74533acd090bd71f2b34f5065040b599 [0,2,0,0,0,0|1,0,0]=3 2573 B12R1.1 CCCCNc1ccc(cn1)Br 2147d0487acab31419a643db0484fa62 [0,2,0,0,0,0|2,0,0]=4 2574 B12R1.1 CCCCNc1ccc(cn1)C 998adba6fba82ff0970d6030353c7365 [0,2,0,0,0,0|2,0,0]=4 2575 B12R1.1 CCCCNc1ccc(cn1)Cl 042111bb41580bf256eb9f12ba97b780 [0,2,0,0,0,0|2,0,0]=4 2576 B12R1.1 CCCCNc1ccc(cn1)F 746733710bba02fd4d704c1e085b8b50 [0,2,0,0,0,0|2,0,0]=4 2577 B12R1.1 CCCCNc1ccc(cn1)I 0047bdc6626e6145afb77fb61f2e6165 [0,2,0,0,0,0|2,0,0]=4 2578 B12R1.1 CCCCNc1ccc(nc1)Br 03175bcde4b54162bbf246fba10395a8 [0,2,0,0,0,0|2,0,0]=4 2579 B12R1.1 CCCCNc1ccc(nc1)C cfc8492ab8a121a11fbcba16a1747a17 [0,2,0,0,0,0|2,0,0]=4 2580 B12R1.1 CCCCNc1ccc(nc1)Cl 571e53e10e8cb1d62f214726f101dfe1 [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.1 CCCCNc1ccc(nc1)F 0b3ebaf1b1b3f43bf02ddb3b8b9cba97 [0,2,0,0,0,0|2,0,0]=4 2582 B12R1.1 CCCCNc1ccc(nc1)I 7c29fa746193ba14b69f78a98be6bb00 [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.1 CCCCOc1ccc(cc1)Br 8eb0c018af7c0260ba3c2a30117b04a8 [0,2,0,0,0,0|1,0,0]=3 2584 B12R1.1 CCCCOc1ccc(cc1)C 279c306997ac21401db621e075a1234e [0,2,0,0,0,0|1,0,0]=3 2585 B12R1.1 CCCCOc1ccc(cc1)Cl 7d5544a2fd61c6804d0b5f9a5dcaff5e [0,2,0,0,0,0|1,0,0]=3 2586 B12R1.1 CCCCOc1ccc(cc1)F 267efa67a22e96e8517f1d16b28b6cda [0,2,0,0,0,0|1,0,0]=3 2587 B12R1.1 CCCCOc1ccc(cc1)I 576e978d44aba041bf60b2e8c0ca77dc [0,2,0,0,0,0|1,0,0]=3 2588 B12R1.1 CCCCOc1ccc(cc1)S 32b0d10568509e9aba7b8b876a1dcd97 [0,2,0,0,0,0|1,0,0]=3 2589 B12R1.1 CCCCOc1ccc(cn1)C 73f80a64d75c76f1625ecd7b6bf60afd [0,2,0,0,0,0|2,0,0]=4 2590 B12R1.1 CCCCOc1ccc(cn1)Cl 2f3f36b0755b6968d932427b919a5191 [0,2,0,0,0,0|2,0,0]=4 2591 B12R1.1 CCCCOc1ccc(cn1)F 714f99d2bf60a4e198c8d7fc7d3992d6 [0,2,0,0,0,0|2,0,0]=4 2592 B12R1.1 CCCCOc1ccc(cn1)I 7a11f6fcbd5b72cfe1708e440ade4c11 [0,2,0,0,0,0|2,0,0]=4 2593 B12R1.1 CCCCOc1ccc(nc1)Br edb7642f5597a5dbfa6d9f7163f9d53f [0,2,0,0,0,0|2,0,0]=4 2594 B12R1.1 CCCCOc1ccc(nc1)C 4c062804bd5d363b81cb36e3fd4cfb06 [0,2,0,0,0,0|2,0,0]=4 2595 B12R1.1 CCCCOc1ccc(nc1)Cl 0bc8dbabaffb09d392f3692c89f0a74d [0,2,0,0,0,0|2,0,0]=4 2596 B12R1.1 CCCCOc1ccc(nc1)F 3a0976877ce97243ef82f159d6a097b4 [0,2,0,0,0,0|2,0,0]=4 2597 B12R1.1 CCCCOc1ccc(nc1)I 8140092992cfe9c6902291788a1266f6 [0,2,0,0,0,0|2,0,0]=4 2598 B12R1.1 CCCNCc1ccc(=O)[nH]c1 7538f417ad561b957ce036f792a167ba [0,2,0,0,0,0|2,0,0]=4 2599 B12R1.1 CCCNCc1ccc(cc1)Br 6d7acb5c1d6eb4035cfecd636670ec88 [0,2,0,0,0,0|1,0,0]=3 2600 B12R1.1 CCCNCc1ccc(cc1)C 821f67acfdb50b145a70c837e9673303 [0,2,0,0,0,0|1,0,0]=3 2601 B12R1.1 CCCNCc1ccc(cc1)Cl a02313d9aa520f59216ac1ef5bf23381 [0,2,0,0,0,0|1,0,0]=3 2602 B12R1.1 CCCNCc1ccc(cc1)F 788f6e4abed6506e1bd98834e24d71da [0,2,0,0,0,0|1,0,0]=3 2603 B12R1.1 CCCNCc1ccc(cc1)I 25058b9c523bb9b3441cc38523ac0681 [0,2,0,0,0,0|1,0,0]=3 2604 B12R1.1 CCCNCc1ccc(cn1)Br ce6bf34b40a640b4111b2e5163e26705 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.1 CCCNCc1ccc(cn1)C 0859440e6ab41c7baa50b4dbb7bfaf38 [0,2,0,0,0,0|2,0,0]=4 2606 B12R1.1 CCCNCc1ccc(cn1)Cl 518b2eeb37bf5f7f7618b8da0a2f2225 [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.1 CCCNCc1ccc(cn1)F 1bb258a69067a228981a13b7c8ffa600 [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.1 CCCNCc1ccc(nc1)Br 98a2a9f55c0e6a24dfd04ba8e737f4fe [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.1 CCCNCc1ccc(nc1)C 0861f89260ac0b04cea33d150d25c2c7 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.1 CCCNCc1ccc(nc1)Cl 9f529880edca32193f0a62a30cf0afb2 [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.1 CCCNCc1ccc(nc1)F bd740dfa814b0679fc0c7f702414e823 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.1 CCCOCc1cc[n+](cc1)[O-] b301fdbcacf119c101f8a1e22f942cbe [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.1 CCCOCc1ccc(cc1)Br 809153d8a160030943d450bde94926b3 [0,2,0,0,0,0|1,0,0]=3 2614 B12R1.1 CCCOCc1ccc(cc1)C cdf710de7aab36c209d4f1e83badcc9f [0,2,0,0,0,0|1,0,0]=3 2615 B12R1.1 CCCOCc1ccc(cc1)Cl 2e02717de8c7d8c7b558a4e515a34b08 [0,2,0,0,0,0|1,0,0]=3 2616 B12R1.1 CCCOCc1ccc(cc1)F 0b046f7636661272767e3d62ac05dc4e [0,2,0,0,0,0|1,0,0]=3 2617 B12R1.1 CCCOCc1ccc(cc1)I 93d3c433bb8fbd6d9bf77528cb7bdc86 [0,2,0,0,0,0|1,0,0]=3 2618 B12R1.1 CCCOCc1ccc(cc1)S 430871fe1cf3c8f148963d62cce89de2 [0,2,0,0,0,0|1,0,0]=3 2619 B12R1.1 CCCOCc1ccc(cn1)Br 49b2165de8bf470f908d401448c5b410 [0,2,0,0,0,0|2,0,0]=4 2620 B12R1.1 CCCOCc1ccc(cn1)C ff405956dedef2634c60e1436e98f714 [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.1 CCCOCc1ccc(cn1)Cl 73222df82ad400a79f3ed27e070a7524 [0,2,0,0,0,0|2,0,0]=4 2622 B12R1.1 CCCOCc1ccc(cn1)F 47efbedbe7a90cd69d4a967f412f2768 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.1 CCCOCc1ccc(cn1)I 4983eead99cd391642e4ce62b61f7868 [0,2,0,0,0,0|2,0,0]=4 2624 B12R1.1 CCCOCc1ccc(nc1)Br 5986c242d7c14820af1b46ea82277777 [0,2,0,0,0,0|2,0,0]=4 2625 B12R1.1 CCCOCc1ccc(nc1)C 916d4ce8b149ccc705c0ba761cb705cc [0,2,0,0,0,0|2,0,0]=4 2626 B12R1.1 CCCOCc1ccc(nc1)Cl 1a3c2f03dd347e64a0cd18252287212e [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.1 CCCOCc1ccc(nc1)F 924d4c24e4b904e8e6dc77785e7bf92a [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.1 CCNCCc1ccc(cc1)Br c1e1856c8e561693e17b3fba9688bb01 [0,2,0,0,0,0|1,0,0]=3 2629 B12R1.1 CCNCCc1ccc(cc1)C 9668e7887400d136ec1e3eb391085876 [0,2,0,0,0,0|1,0,0]=3 2630 B12R1.1 CCNCCc1ccc(cc1)Cl 8e5264010838622c7519fd0dcde4d0b4 [0,2,0,0,0,0|1,0,0]=3 2631 B12R1.1 CCNCCc1ccc(cc1)F 1a1f9ac0f1e5162cebd8c21d993978c3 [0,2,0,0,0,0|1,0,0]=3 2632 B12R1.1 CCNCCc1ccc(cc1)I a943177ded045228b7557ed18509fc40 [0,2,0,0,0,0|1,0,0]=3 2633 B12R1.1 CCNCCc1ccc(cn1)Br 071a48b22deb6b821a1caa4a94f022f3 [0,2,0,0,0,0|2,0,0]=4 2634 B12R1.1 CCNCCc1ccc(nc1)Br 40501d04b290bcc6bd2ecdbd3d864206 [0,2,0,0,0,0|2,0,0]=4 2635 B12R1.1 CCNCCc1ccc(nc1)C da0b9278676dd0fba6c61fc0ed22f989 [0,2,0,0,0,0|2,0,0]=4 2636 B12R1.1 CCNCCc1ccc(nc1)Cl 0cc577b224a2d134852779de1dd40420 [0,2,0,0,0,0|2,0,0]=4 2637 B12R1.1 CCOCCc1ccc(cc1)Br 373b968b1c2796bb8ccc0d6636f1b3d3 [0,2,0,0,0,0|1,0,0]=3 2638 B12R1.1 CCOCCc1ccc(cc1)C 42e633922cb44e7ff341e38a29688961 [0,2,0,0,0,0|1,0,0]=3 2639 B12R1.1 CCOCCc1ccc(cc1)Cl 724e191c5f6d1be9c5d9a12f103488fa [0,2,0,0,0,0|1,0,0]=3 2640 B12R1.1 CCOCCc1ccc(cc1)F fd874c97516f9d501a7a7d365142f992 [0,2,0,0,0,0|1,0,0]=3 2641 B12R1.1 CCOCCc1ccc(cc1)I e2ec89c0bf90f2dda962bfa898555cdd [0,2,0,0,0,0|1,0,0]=3 2642 B12R1.1 CCOCCc1ccc(cn1)Br 4da8f1abec1823983ba9123c240ed526 [0,2,0,0,0,0|2,0,0]=4 2643 B12R1.1 CCOCCc1ccc(cn1)C f8bfa9a6b9c5cf25e679ebe20d4c34d1 [0,2,0,0,0,0|2,0,0]=4 2644 B12R1.1 CCOCCc1ccc(cn1)F 3104047a4d03b030dadc14553fe02c80 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.1 CCOCCc1ccc(nc1)Br 77c550d44806648781a348047e80994f [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.1 CCOCCc1ccc(nc1)C d2cbfdfb1b149499f3a63e1ec7ca2e87 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.1 CCOCCc1ccc(nc1)Cl cc1500b445b266c7e229a33c575d1f83 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.1 CCOCCc1ccc(nc1)F 21d533bb352b69aa08b705a9a98802c5 [0,2,0,0,0,0|2,0,0]=4 2649 B12R1.1 CCOCNc1ccc(cc1)Br 4ee5ca282eba946fa39404fb9f2e2f49 [0,2,0,0,0,0|2,0,0]=4 2650 B12R1.1 CCOCNc1ccc(cc1)C 40728cee7584de662c92ec4d4f9f2bce [0,2,0,0,0,0|2,0,0]=4 2651 B12R1.1 CCOCNc1ccc(cc1)Cl d0dbb68cddbf57bccc516d9c4f88982a [0,2,0,0,0,0|2,0,0]=4 2652 B12R1.1 CCOCNc1ccc(cc1)F 6741493e952a075c24d7387b1a13f85c [0,2,0,0,0,0|2,0,0]=4 2653 B12R1.1 CCOCNc1ccc(cc1)I 98926b4f8768901e7cec2d6a87d3ecb7 [0,2,0,0,0,0|2,0,0]=4 2654 B12R1.1 CCOCNc1ccc(cc1)S cebbce0e1e667215a01e85034183120b [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.1 CCOCOc1ccc(cc1)C 7ff79dea53674124be82709c4597b73f [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.1 CCOCOc1ccc(cc1)F 50357452ef2cbab5421b2c59afb55a46 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.1 CCOCOc1ccc(cc1)I a2fff1ccbab39ecbcb6c924c73f9242f [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.1 COCCNc1cc[n+](cc1)[O-] 8df1e5f26764e7d16e45b2e81d1c413f [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.1 COCCNc1ccc(=O)[nH]c1 2658be545f60feb81fc0fe240399c7b2 [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.1 COCCNc1ccc(=O)oc1 082bf48eef0cc5837b61aadc07e7d747 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.1 COCCNc1ccc(cc1)Br 2d926fbb1fcdd16bacc6f211d0fcfb4e [0,2,0,0,0,0|1,0,0]=3 2662 B12R1.1 COCCNc1ccc(cc1)C 74fbcfec57bd0edf1bc5b11b7509662c [0,2,0,0,0,0|1,0,0]=3 2663 B12R1.1 COCCNc1ccc(cc1)Cl af73116263228e2b54dd7e7b16a6a3a1 [0,2,0,0,0,0|1,0,0]=3 2664 B12R1.1 COCCNc1ccc(cc1)F a4e8c5020277e3ea67e453e11663517f [0,2,0,0,0,0|1,0,0]=3 2665 B12R1.1 COCCNc1ccc(cc1)I 043a7b95c30b748da12a71766d6e5d51 [0,2,0,0,0,0|1,0,0]=3 2666 B12R1.1 COCCNc1ccc(cc1)O df6722b40212b9f51eec6a88b45d31aa [0,2,0,0,0,0|1,0,0]=3 2667 B12R1.1 COCCNc1ccc(cc1)S 5c0c330b3d01b6a4f1cb1b35b6bc670a [0,2,0,0,0,0|1,0,0]=3 2668 B12R1.1 COCCNc1ccc(cn1)Br deaba88b45a644de34ea2cfea007e007 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.1 COCCNc1ccc(cn1)C 007698baeb5f195743191a9f71971722 [0,2,0,0,0,0|2,0,0]=4 2670 B12R1.1 COCCNc1ccc(cn1)Cl c3ac47963e38142d5204c0bfeb95e232 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.1 COCCNc1ccc(cn1)F f762f45dc64dea0ba1842fef1445e94e [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.1 COCCNc1ccc(cn1)I 54360701a034983285b4ecfc45d90891 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.1 COCCNc1ccc(cn1)O bd0ec413fe2f63d0c0ec77cd40a01221 [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.1 COCCNc1ccc(cn1)S 57bcb276d04bcf19a32b8db4540c7c69 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.1 COCCNc1ccc(nc1)Br ea6ef9177409c883e3ae79b1b9a0df8b [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.1 COCCNc1ccc(nc1)C ee23fd27ebee66df1b9513c41657d697 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.1 COCCNc1ccc(nc1)Cl 7f04bd35b40cca5c48b3485e7f58f185 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.1 COCCNc1ccc(nc1)F 81fc4f3e0695a46c43d61b81718ee262 [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.1 COCCNc1ccc(nc1)I 498894a91188dae1f5d2f0c9eb382827 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.1 COCCNc1ccc(nc1)S 3e95ce311e38d686da8ad7f38a89f078 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.1 COCCOc1ccc(cc1)Br 59f81cc694fddf63dd9c397498a8f71c [0,2,0,0,0,0|1,0,0]=3 2682 B12R1.1 COCCOc1ccc(cc1)C b1d5560e5a325a25c8f516e70c9b7dd3 [0,2,0,0,0,0|1,0,0]=3 2683 B12R1.1 COCCOc1ccc(cc1)Cl aedf1b3f939e7afd0ecf936ea9af8427 [0,2,0,0,0,0|1,0,0]=3 2684 B12R1.1 COCCOc1ccc(cc1)F 353ef53d5cd36cd30d3c5a3be3e143d2 [0,2,0,0,0,0|1,0,0]=3 2685 B12R1.1 COCCOc1ccc(cc1)I 1af5a8e2ac91f91f1a45abad84e7a86b [0,2,0,0,0,0|1,0,0]=3 2686 B12R1.1 COCCOc1ccc(cc1)S be18e0df09b470cb83227bd8e52a0281 [0,2,0,0,0,0|1,0,0]=3 2687 B12R1.1 COCCOc1ccc(cn1)C 2cfd14c3999f5320927b336c794e493e [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.1 COCCOc1ccc(cn1)Cl 4b74273ee1f05769173febcc208cf94c [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.1 COCCOc1ccc(cn1)F b41abae1ad93fc2b2f8d2b0e97bab001 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.1 COCCOc1ccc(cn1)I ba4f627d8af5acdf2b979abccf1809da [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.1 COCCOc1ccc(nc1)Br f19a854ba8995a1bf0da9a7b6369a3fd [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.1 COCCOc1ccc(nc1)C 789b0414d3bf1eb85a8e9d3bd9a44ef9 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.1 COCCOc1ccc(nc1)Cl 8cbe357e6c22ac377c81a92dde67806a [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.1 COCCOc1ccc(nc1)F 49990f366caf10309682628e14982ca4 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.1 COCCOc1ccc(nc1)I 1953640f6f3491825780257a5d8704e0 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.1 COCNCc1ccc(=O)[nH]c1 966504355f5007bd365d9a0bdf28b307 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.1 COCNCc1ccc(cc1)Br 2101c8ffb2742f9e20614ebc2902f4e9 [0,2,0,0,0,0|1,0,0]=3 2698 B12R1.1 COCNCc1ccc(cc1)C 1ddbf711bb1fd8e5bb368c453428b7c3 [0,2,0,0,0,0|1,0,0]=3 2699 B12R1.1 COCNCc1ccc(cc1)Cl 2d350432a72c42f08586f91f64cfeb55 [0,2,0,0,0,0|1,0,0]=3 2700 B12R1.1 COCNCc1ccc(cc1)F 1c3d2fa163bb11a20df738f7c1f91179 [0,2,0,0,0,0|1,0,0]=3 2701 B12R1.1 COCNCc1ccc(cc1)I 37d68c073753166fb2f5673ea356dd9f [0,2,0,0,0,0|1,0,0]=3 2702 B12R1.1 COCNCc1ccc(cn1)Br eb4a5b86258c2c3116f7d5cf571588ec [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.1 COCNCc1ccc(cn1)C 33eab755a5d001639e66d07c6417c96e [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.1 COCNCc1ccc(cn1)Cl 0de3190092ada4c1cfea21fb494ae49f [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.1 COCNCc1ccc(cn1)F 414fd94fc5410186eaafb50870e732b4 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.1 COCNCc1ccc(nc1)Br a450861ef2a8d843c3f632a69a5afba6 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.1 COCNCc1ccc(nc1)C b6ec1a4369c74ebcdf401f7d3323876f [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.1 COCNCc1ccc(nc1)Cl e243f371ffc80e4703b3846090cf3eed [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.1 COCNCc1ccc(nc1)F 1d1902f78c1feb5cb64fd352e4686a8c [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.1 COCOCc1cc[n+](cc1)[O-] bfcdee60c4850a9b239170ecf999d32e [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.1 COCOCc1ccc(cc1)Br 428c0675138106422df59babd0a4742f [0,2,0,0,0,0|1,0,0]=3 2712 B12R1.1 COCOCc1ccc(cc1)C 193aa9ab931a6a24231e20923141b26a [0,2,0,0,0,0|1,0,0]=3 2713 B12R1.1 COCOCc1ccc(cc1)Cl 8d1220ebec17a1d5ad87d7ecbe17ddba [0,2,0,0,0,0|1,0,0]=3 2714 B12R1.1 COCOCc1ccc(cc1)F 837a7f154b9d2ab539edcef32fc8cbf5 [0,2,0,0,0,0|1,0,0]=3 2715 B12R1.1 COCOCc1ccc(cc1)I d3b117bbf06fbd5bf254ea112ff039c6 [0,2,0,0,0,0|1,0,0]=3 2716 B12R1.1 COCOCc1ccc(cc1)S fff07ccf7efce07c78db73dc16d32001 [0,2,0,0,0,0|1,0,0]=3 2717 B12R1.1 COCOCc1ccc(cn1)Br 5ba023b8a8ffd631584ce6b06f5f8da6 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.1 COCOCc1ccc(cn1)C ff676d411c527e57b34dd5d8979cdb04 [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.1 COCOCc1ccc(cn1)Cl d33e1130f1bc4798404db81ef9589c56 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.1 COCOCc1ccc(cn1)F da9e7d0f7b824c6250f1fa01987f41fa [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.1 COCOCc1ccc(cn1)I 4ad87f486e6db41b8fe45a5bb7e8e090 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.1 COCOCc1ccc(nc1)Br ee11061558138f6dd7217b5092657e29 [0,2,0,0,0,0|2,0,0]=4 2723 B12R1.1 COCOCc1ccc(nc1)C 6fd52164cc715d7ee25b55c0c745c9b4 [0,2,0,0,0,0|2,0,0]=4 2724 B12R1.1 COCOCc1ccc(nc1)Cl 3335a8d8c199536dab9ac47783d19e6d [0,2,0,0,0,0|2,0,0]=4 2725 B12R1.1 COCOCc1ccc(nc1)F f4d37e2b4cd268e7edcc451a4ee17635 [0,2,0,0,0,0|2,0,0]=4 2726 B12R1.1 CSCCNc1ccc(cc1)Br 8ab0677987b0eea2f7ca5e75fb396aff [0,2,0,0,0,0|1,1,0]=4 2727 B12R1.1 CSCCNc1ccc(cc1)C 310ae1408eff8b26413c520510ae11cf [0,2,0,0,0,0|1,1,0]=4 2728 B12R1.1 CSCCNc1ccc(cc1)Cl 4f204a2d9fd4023e1a5daab1a4b97091 [0,2,0,0,0,0|1,1,0]=4 2729 B12R1.1 CSCCNc1ccc(cc1)F 28f70803d3770470a142bfaa1613d9e1 [0,2,0,0,0,0|1,1,0]=4 2730 B12R1.1 CSCCNc1ccc(cc1)I 6aefca79dea20870dc631870bac7bc12 [0,2,0,0,0,0|1,1,0]=4 2731 B12R1.1 CSCCNc1ccc(cc1)S 23d5e26bcf03f49e0545130793e63a46 [0,2,0,0,0,0|1,1,0]=4 2732 B12R1.1 CSCCOc1ccc(cc1)Br c234e90f741991c47604f539f2d99f42 [0,2,0,0,0,0|1,1,0]=4 2733 B12R1.1 CSCCOc1ccc(cc1)C 24a3be47a5236d6fcfdb3dd31ef924e1 [0,2,0,0,0,0|1,1,0]=4 2734 B12R1.1 CSCCOc1ccc(cc1)Cl 198ed529c59d9f64135f4216da3c0c09 [0,2,0,0,0,0|1,1,0]=4 2735 B12R1.1 CSCCOc1ccc(cc1)F fefa248d3af27dfc611f32de34246b14 [0,2,0,0,0,0|1,1,0]=4 2736 B12R1.1 CSCCOc1ccc(cc1)I 7e7eedf216c574333f818acb7f46b313 [0,2,0,0,0,0|1,1,0]=4 2737 B12R1.1 CSCCOc1ccc(cc1)S 1f2c0987d2a08e98131fab5ab97aece6 [0,2,0,0,0,0|1,1,0]=4 2738 B12R1.1 CSCNCc1ccc(cc1)Br 693801023c71ab41fb46dfde2783c840 [0,2,0,0,0,0|1,1,0]=4 2739 B12R1.1 CSCNCc1ccc(cc1)C 9fc32bcf202f13dafa59ca6cad147642 [0,2,0,0,0,0|1,1,0]=4 2740 B12R1.1 CSCNCc1ccc(cc1)Cl 0bfdbe8848ec3a5aff321142c87584b1 [0,2,0,0,0,0|1,1,0]=4 2741 B12R1.1 CSCNCc1ccc(cc1)F c6129a00308c9d4832a29e22c5adc4b0 [0,2,0,0,0,0|1,1,0]=4 2742 B12R1.1 CSCNCc1ccc(cc1)I b29bd17b4320cd66526146eb19c64d3d [0,2,0,0,0,0|1,1,0]=4 2743 B12R1.1 CSCOCc1ccc(cc1)Br 04076c930c60c8026e8859d12af51795 [0,2,0,0,0,0|1,1,0]=4 2744 B12R1.1 CSCOCc1ccc(cc1)C 8f292a47087d0909cd576163e4db1532 [0,2,0,0,0,0|1,1,0]=4 2745 B12R1.1 CSCOCc1ccc(cc1)Cl 03e78d5cbe8215e8240c6356bb118866 [0,2,0,0,0,0|1,1,0]=4 2746 B12R1.1 CSCOCc1ccc(cc1)F 2f1cad00f1363f49def9c4fdb797866b [0,2,0,0,0,0|1,1,0]=4 2747 B12R1.1 CSCOCc1ccc(cc1)I 31f9b1d8cf943b9f6280d8a2c534b898 [0,2,0,0,0,0|1,1,0]=4 2748 B12R1.1 CSCOCc1ccc(cc1)S fc2f705e251814c6788644bc46a6aca1 [0,2,0,0,0,0|1,1,0]=4 2749 B12R1.1 Cc1ccc(cc1)CCNC#N 53ca67ea915f9e6fd72cd5b205cad1da [0,2,0,0,0,0|1,0,1]=4 2750 B12R1.1 Cc1ccc(cc1)CCNC=O b9ea689c80c53698375479d2429cc620 [0,2,0,0,0,0|0,0,2]=4 2751 B12R1.1 Cc1ccc(cc1)CCNCF 55db78b5c6b65959b4c4a038e04170d2 [0,2,0,0,0,0|1,0,0]=3 2752 B12R1.1 Cc1ccc(cc1)CCNCO 8265feb14c5c78ac0b9f16d74e5916ae [0,2,0,0,0,0|0,0,0]=2 2753 B12R1.1 Cc1ccc(cc1)CCOCF 23e471ed521d6c702e5222c5224f343c [0,2,0,0,0,0|1,0,0]=3 2754 B12R1.1 Cc1ccc(cc1)CNCC#N 6301ba8ae4527ff19eecb5fd69750981 [0,2,0,0,0,0|1,0,1]=4 2755 B12R1.1 Cc1ccc(cc1)CNCC=O 9ed531c7409d343a9f3e4dfabbd1e863 [0,2,0,0,0,0|0,0,2]=4 2756 B12R1.1 Cc1ccc(cc1)CNCCBr 2d8aaef5002dee05b5b0d139516346b7 [0,2,0,0,0,0|1,0,0]=3 2757 B12R1.1 Cc1ccc(cc1)CNCCF 45de62b9a51bd1d0feae8b987f81bbf3 [0,2,0,0,0,0|1,0,0]=3 2758 B12R1.1 Cc1ccc(cc1)CNCCI 0f947b3f245796fc1dcd52661dd84fa8 [0,2,0,0,0,0|1,0,0]=3 2759 B12R1.1 Cc1ccc(cc1)CNCCO 47cbe1348c331b475579d0d8d51b73f3 [0,2,0,0,0,0|0,0,0]=2 2760 B12R1.1 Cc1ccc(cc1)CNCCS f4f6d094efa9a75c2d676e4e1bf95e4c [0,2,0,0,0,0|0,1,0]=3 2761 B12R1.1 Cc1ccc(cc1)COCC#N 7ad69d8bca54acaa0ae71e54f084eb7f [0,2,0,0,0,0|1,0,1]=4 2762 B12R1.1 Cc1ccc(cc1)COCC=O cb278d9115f41eba0ece67792b3dc07a [0,2,0,0,0,0|0,0,2]=4 2763 B12R1.1 Cc1ccc(cc1)COCCF 0d130b7ab7dcfaf08d1b5194bdc3e4e7 [0,2,0,0,0,0|1,0,0]=3 2764 B12R1.1 Cc1ccc(cc1)COCCS fa0ba5736fc27a43635ffecb1320bef1 [0,2,0,0,0,0|0,1,0]=3 2765 B12R1.1 Cc1ccc(cc1)NC/C=C\O b899b4dbc1bf6a01cf4b63732b94b852 [0,2,0,0,0,0|0,0,2]=4 2766 B12R1.1 Cc1ccc(cc1)NCCC#N 96edf6767ab47e7e3396c7cf9b23fcc9 [0,2,0,0,0,0|1,0,1]=4 2767 B12R1.1 Cc1ccc(cc1)NCCC=O c651134122dc9987497d7c8070f8742d [0,2,0,0,0,0|0,0,2]=4 2768 B12R1.1 Cc1ccc(cc1)NCCCCl 20a97402e32410da2dbcec2aa3bbe78c [0,2,0,0,0,0|1,0,0]=3 2769 B12R1.1 Cc1ccc(cc1)NCCCF 851b4770ba02f29cfff9aabe778a437d [0,2,0,0,0,0|1,0,0]=3 2770 B12R1.1 Cc1ccc(cc1)NCCCO 46aa73ad3705fe83d5925f133ae7c772 [0,2,0,0,0,0|0,0,0]=2 2771 B12R1.1 Cc1ccc(cc1)NCCCS 72b037e31eb66dc652e81da4beb6cd18 [0,2,0,0,0,0|0,1,0]=3 2772 B12R1.1 Cc1ccc(cc1)NCCON 0d462662735047ab290ae578de1f84ea [0,2,0,0,0,0|1,0,0]=3 2773 B12R1.1 Cc1ccc(cc1)OCCC#N 0685b0845c99939bc67acce3954e2d5b [0,2,0,0,0,0|1,0,1]=4 2774 B12R1.1 Cc1ccc(cc1)OCCC=O 4b1d290849b9df8dffabc68535138876 [0,2,0,0,0,0|0,0,2]=4 2775 B12R1.1 Cc1ccc(cc1)OCCCF feeaf145cc496d1fd07364d6aa7e43fc [0,2,0,0,0,0|1,0,0]=3 2776 B12R1.1 Cc1ccc(cc1)OCCCS 29a5e3dab250bf0932d27e1725c97389 [0,2,0,0,0,0|0,1,0]=3 2777 B12R1.1 Cc1ccc(cn1)CCNCF 92bd35007be893fe4e6d51d0da75e41d [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.1 Cc1ccc(cn1)CCNCO 554900c10a1e8a24f1017c92d45b378f [0,2,0,0,0,0|1,0,0]=3 2779 B12R1.1 Cc1ccc(cn1)CCOCF 056a99742a44cd54d90e218fa02818ef [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.1 Cc1ccc(cn1)CNCCBr ddf5bdeecc533da07858222ce1002aed [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.1 Cc1ccc(cn1)CNCCF 5ac7dd527136af17222646ec58f93e48 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.1 Cc1ccc(cn1)CNCCI 36bcd4b0d01aeaa5ce84542b82fc1fc8 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.1 Cc1ccc(cn1)CNCCO f57cb0dbcae4789a56cdc723de34333b [0,2,0,0,0,0|1,0,0]=3 2784 B12R1.1 Cc1ccc(cn1)CNCCS 1ae9d3fffbd73f49c80dc7f5a8c77fcf [0,2,0,0,0,0|1,1,0]=4 2785 B12R1.1 Cc1ccc(cn1)COCCF 9f3daca47e2eb1c2a7366c26e2074b5d [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.1 Cc1ccc(cn1)COCCS f9787ac10ecda4b9d29ad9ab201a9840 [0,2,0,0,0,0|1,1,0]=4 2787 B12R1.1 Cc1ccc(cn1)NCCCCl f60f55432ae554e27fedf2b59ad687cf [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.1 Cc1ccc(cn1)NCCCF e2efd5f144b3f26cc1c4f7fcf6d5d300 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.1 Cc1ccc(cn1)NCCCO 02c1ea4124d298c95a22730a495872c0 [0,2,0,0,0,0|1,0,0]=3 2790 B12R1.1 Cc1ccc(cn1)NCCCS 47b53d6de2c139e960523c74f1124dd1 [0,2,0,0,0,0|1,1,0]=4 2791 B12R1.1 Cc1ccc(cn1)NCCON b51477dfb474ee96f0e6b060b5ba0855 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.1 Cc1ccc(cn1)OCCCF a82f12f942f083ab1ebcabe513d3da60 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.1 Cc1ccc(cn1)OCCCS d39c54b91dd9bdbe7cf3a34d913e6a18 [0,2,0,0,0,0|1,1,0]=4 2794 B12R1.1 Cc1ccc(nc1)CCOCF 7f2d0a874f431f6002914f87185517b3 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.1 Cc1ccc(nc1)CNCCBr 9ef3c7616019857ffa4c04299496e2ca [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.1 Cc1ccc(nc1)CNCCF e128dc68575cddda1073105faed583a2 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.1 Cc1ccc(nc1)CNCCI 5773dfd5602931fe2be1cf658ae03d8c [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.1 Cc1ccc(nc1)CNCCO 18e78eee4d4949c8aa219cb631466434 [0,2,0,0,0,0|1,0,0]=3 2799 B12R1.1 Cc1ccc(nc1)CNCCS 885f1e6417321fcaef68d3694ea5f250 [0,2,0,0,0,0|1,1,0]=4 2800 B12R1.1 Cc1ccc(nc1)COCCF 25348f3da608e2f9245d055f4afb2254 [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.1 Cc1ccc(nc1)COCCS 08abd308e3949fb3c411d3bdaf65c1c8 [0,2,0,0,0,0|1,1,0]=4 2802 B12R1.1 Cc1ccc(nc1)NCCCCl dac1536a4d26c4abc51a57660fbc2f6a [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.1 Cc1ccc(nc1)NCCCF f3209b819e401104f4182f07d56000b4 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.1 Cc1ccc(nc1)NCCCO 943c5edad96496dd2ca78f468c15c5da [0,2,0,0,0,0|1,0,0]=3 2805 B12R1.1 Cc1ccc(nc1)NCCCS 7f1bb50b9c48357814e0c7ef4a440200 [0,2,0,0,0,0|1,1,0]=4 2806 B12R1.1 Cc1ccc(nc1)NCCON 417657a818a5d60d713b77dea8ad331f [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.1 Cc1ccc(nc1)OCCCF 8f97812529c422bfee9076081c1896dc [0,2,0,0,0,0|2,0,0]=4 2808 B12R1.1 Cc1ccc(nc1)OCCCS a6c9ad0a5e6f7753c4b28479e9121884 [0,2,0,0,0,0|1,1,0]=4 2809 B12R1.1 Cc1ccc(nn1)CNCCO 4f1c169f55afafef17cc7104c5ecd55e [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.1 Cc1ccc(nn1)NCCCO bf49a89ebbc3cda08b971331770a0d9f [0,2,0,0,0,0|2,0,0]=4 2811 B12R1.1 Cc1cnc(cn1)CNCCO 040d0018cee6c0480fef9797a4a0b225 [0,2,0,0,0,0|2,0,0]=4 2812 B12R1.1 Cc1cnc(cn1)NCCCO 1c7c6ca89ae10d6667d1c4248c23e16b [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.1 Cc1cnc(nc1)CNCCO 103de006459b6b169063597a299c2107 [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.1 Cc1cnc(nc1)NCCCO 9fc8c4aa63c240282757cf67d6de7780 [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.1 Cc1ncc(cn1)CNCCO abc368317d3edd61f8858c7f190956d0 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.1 Cc1ncc(cn1)NCCCO ffaed3c3870573c88bc1f2e5d7bff323 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.1 Clc1ccc(cc1)CNCCBr c65ca8fd38a5e054055efe4671ab857e [0,2,0,0,0,0|1,0,0]=3 2818 B12R1.1 Clc1ccc(cc1)CNCCI 8c14ff739e3e87d5f74de98bc200ad53 [0,2,0,0,0,0|1,0,0]=3 2819 B12R1.1 Clc1ccc(cn1)CNCCBr f6a738d0c010010f32c2f2adef70a726 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.1 Clc1ccc(cn1)CNCCI 20615da363839dfa259bf0bd6f063068 [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.1 Clc1ccc(nc1)CNCCBr 98c9a459451c0dd316a5d9c2ab75e125 [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.1 Clc1ccc(nc1)CNCCI b54a2e7782ae7d80f0f49dedc20f86bc [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.1 FCCCNc1ccc(cc1)Br 2bb0b8b5de9be84e6aa954805b9bdc6f [0,2,0,0,0,0|1,0,0]=3 2824 B12R1.1 FCCCNc1ccc(cc1)Cl 3bac999676431694f615544eac89e910 [0,2,0,0,0,0|1,0,0]=3 2825 B12R1.1 FCCCNc1ccc(cc1)F 79d6de3a9c368c231cd818521f7ebf62 [0,2,0,0,0,0|1,0,0]=3 2826 B12R1.1 FCCCNc1ccc(cc1)I 9c99a2b01242c00192aedbe231fc2bd2 [0,2,0,0,0,0|1,0,0]=3 2827 B12R1.1 FCCCNc1ccc(cc1)S ad5b6b8a015045fcbbb030babf864b53 [0,2,0,0,0,0|1,0,0]=3 2828 B12R1.1 FCCCNc1ccc(cn1)Br c2c5771f28891b911255f2f9c2c67e77 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.1 FCCCNc1ccc(cn1)Cl 01831f630fc3a4fe81b08eea6a157ac7 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.1 FCCCNc1ccc(cn1)F aff6d69a57a3c54e31eb7338c2332556 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.1 FCCCNc1ccc(cn1)I 87e1de9d012faa35a96a7b709e7d0987 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.1 FCCCNc1ccc(nc1)Br 7111235d172268fe43e3701a47fd1e08 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.1 FCCCNc1ccc(nc1)Cl 8ebffaafbec04af5d80f101a0f38fbc5 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.1 FCCCNc1ccc(nc1)F b7b332eec1f7607e2cae24aa6b0995a4 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.1 FCCCNc1ccc(nc1)I 323fc47d927cfad3e29f3b3da6f4f8c0 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.1 FCCCOc1ccc(cc1)Br 475788e0200e75281ddc0e6025f8bdff [0,2,0,0,0,0|1,0,0]=3 2837 B12R1.1 FCCCOc1ccc(cc1)Cl 139fdae034a870836c2920fee7b7b718 [0,2,0,0,0,0|1,0,0]=3 2838 B12R1.1 FCCCOc1ccc(cc1)F 9be3c4201031cb2036b0bb1acb87a0c4 [0,2,0,0,0,0|1,0,0]=3 2839 B12R1.1 FCCCOc1ccc(cc1)I 1fe701e7027f1edb027816d43c4777ec [0,2,0,0,0,0|1,0,0]=3 2840 B12R1.1 FCCCOc1ccc(cc1)S bbb5166fd0fd5ed564b64a2107cb5fc0 [0,2,0,0,0,0|1,0,0]=3 2841 B12R1.1 FCCCOc1ccc(cn1)Cl e170fd4c227b9d26bec44218539fbfa8 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.1 FCCCOc1ccc(cn1)F 995886d997ccc0346446951a15a69a4c [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.1 FCCCOc1ccc(cn1)I 2234599caacbf4298b8fd11ca9739e2c [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.1 FCCCOc1ccc(nc1)Br ab777847e9437eec7dc4b7590987378c [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.1 FCCCOc1ccc(nc1)Cl 81d0246b7e9bb966adc906d3d05f10b9 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.1 FCCCOc1ccc(nc1)F 35d525e89cdbca334456de414d03c8de [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.1 FCCCOc1ccc(nc1)I 6b9faf5a13b3f2d3ddcfec230cc9bd4f [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.1 FCCNCc1ccc(cc1)Br 65d8c489335e2e57798d1d4248bd2ae5 [0,2,0,0,0,0|1,0,0]=3 2849 B12R1.1 FCCNCc1ccc(cc1)Cl 55328c35608650689df7bcb63925e617 [0,2,0,0,0,0|1,0,0]=3 2850 B12R1.1 FCCNCc1ccc(cc1)F 3eacca31e9c8a1445938595857c2b92a [0,2,0,0,0,0|1,0,0]=3 2851 B12R1.1 FCCNCc1ccc(cc1)I d63e3036898d8ab0af6d516afab80e3f [0,2,0,0,0,0|1,0,0]=3 2852 B12R1.1 FCCNCc1ccc(cn1)Br fb84b64137995a24b2c9c2d6a8f3923e [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.1 FCCNCc1ccc(cn1)Cl 9b6d6a203e6ca279d7df0a792ce76275 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.1 FCCNCc1ccc(cn1)F 81503aad91b1062ee658cc08c3505583 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.1 FCCNCc1ccc(nc1)Br 0bb08e473bd4c964ce54af9e2ba91d2f [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.1 FCCNCc1ccc(nc1)Cl deb7c5f4b43c9ff1b49d9decb3be86de [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.1 FCCNCc1ccc(nc1)F 38a84679ec36e320245414713fd4b286 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.1 FCCOCc1ccc(cc1)Br 92495eb32b3f433b2bab7c5380980e79 [0,2,0,0,0,0|1,0,0]=3 2859 B12R1.1 FCCOCc1ccc(cc1)Cl f2abd9f5353336c91b3534a565e7e4bc [0,2,0,0,0,0|1,0,0]=3 2860 B12R1.1 FCCOCc1ccc(cc1)F 14e4a988dfdb52dc5cdd6f42bb1b065c [0,2,0,0,0,0|1,0,0]=3 2861 B12R1.1 FCCOCc1ccc(cc1)I c4f71ecd033c4f8ae03483191d011e18 [0,2,0,0,0,0|1,0,0]=3 2862 B12R1.1 FCCOCc1ccc(cc1)S af1a831e53f70462c0b307028f23b689 [0,2,0,0,0,0|1,0,0]=3 2863 B12R1.1 FCCOCc1ccc(cn1)Br 8cde46053e8fadf08d03a1c582249848 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.1 FCCOCc1ccc(cn1)Cl 0d54c1a0837b335d003f13741e14b6db [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.1 FCCOCc1ccc(cn1)F fe5f15e8f299f886b268011c4a761817 [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.1 FCCOCc1ccc(cn1)I e59d69c3441e94bde0b5ba7ce2388849 [0,2,0,0,0,0|2,0,0]=4 2867 B12R1.1 FCCOCc1ccc(nc1)Br f2e844ac018b361b73d59f79ba0f4372 [0,2,0,0,0,0|2,0,0]=4 2868 B12R1.1 FCCOCc1ccc(nc1)Cl a298b4415a7a18346327074be5d6b163 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.1 FCCOCc1ccc(nc1)F 11342b8c364700fe9355504ca5ef42d0 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.1 FCNCCc1ccc(cc1)Br 8638beffc47a42ce959ab1c0805990f5 [0,2,0,0,0,0|1,0,0]=3 2871 B12R1.1 FCNCCc1ccc(cc1)Cl 70d590d4b56811c02c2e304f3cf87f38 [0,2,0,0,0,0|1,0,0]=3 2872 B12R1.1 FCNCCc1ccc(cc1)F c5cbf3f1d30444969ee6f1c3b2a29381 [0,2,0,0,0,0|1,0,0]=3 2873 B12R1.1 FCNCCc1ccc(cc1)I cc57343573354e520cfcdabf8150e29c [0,2,0,0,0,0|1,0,0]=3 2874 B12R1.1 FCNCCc1ccc(nc1)Br fce433292d0bbb355897eca5e0dcfe9a [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.1 FCNCCc1ccc(nc1)Cl 3e4b95c3a7e0769f01bb9bad57372eb4 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.1 FCOCCc1ccc(cc1)Br 3d5bf9390babc43444cfa414157b2f9a [0,2,0,0,0,0|1,0,0]=3 2877 B12R1.1 FCOCCc1ccc(cc1)Cl c19707c796ee492aada5636e67f70282 [0,2,0,0,0,0|1,0,0]=3 2878 B12R1.1 FCOCCc1ccc(cc1)F ccdf7834bb3ad7b62c366a300838c3f0 [0,2,0,0,0,0|1,0,0]=3 2879 B12R1.1 FCOCCc1ccc(cc1)I ac6c9e6f007389bdbaa2b46b1b627f52 [0,2,0,0,0,0|1,0,0]=3 2880 B12R1.1 FCOCCc1ccc(cn1)Br 87a383c5bca931871672fa4519a9dcee [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.1 FCOCCc1ccc(cn1)F 50cfde45d8f1f3102e39e67c980e33c8 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.1 FCOCCc1ccc(nc1)Br aa58de6f5fbcaf8564822606cc93b5c8 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.1 FCOCCc1ccc(nc1)Cl 973467d86542ca9fa624aa16ca4e3dd6 [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.1 FCOCCc1ccc(nc1)F bd0733951901b6ae9d034b2b265c8647 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.1 Fc1ccc(cc1)CNCCBr 072eab35a0497e904436919e1fef6884 [0,2,0,0,0,0|1,0,0]=3 2886 B12R1.1 Fc1ccc(cc1)CNCCI 2873609fdbac0a9541e33e6ac7c1cb32 [0,2,0,0,0,0|1,0,0]=3 2887 B12R1.1 Fc1ccc(cc1)CNCCS 88ed63e95aaf218af2a93443072e06ef [0,2,0,0,0,0|0,1,0]=3 2888 B12R1.1 Fc1ccc(cc1)COCCS 86c8939ca17403844281e346ea792870 [0,2,0,0,0,0|0,1,0]=3 2889 B12R1.1 Fc1ccc(cc1)NCCCCl 9a2f2f4691174593f4155dfa4b67c91f [0,2,0,0,0,0|1,0,0]=3 2890 B12R1.1 Fc1ccc(cc1)NCCCS 7e053f391e122f52af50e8234f5dc2e0 [0,2,0,0,0,0|0,1,0]=3 2891 B12R1.1 Fc1ccc(cc1)OCCCS ae2c14497042619ab205edaf6d20d829 [0,2,0,0,0,0|0,1,0]=3 2892 B12R1.1 Fc1ccc(cn1)CNCCBr 814350c6058dc71a2be54255c9957794 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.1 Fc1ccc(cn1)CNCCI 74ccf9a835725a9e284fd2e1a519d0bd [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.1 Fc1ccc(cn1)CNCCS a8a101d3f9fdf591992315abff1cfc41 [0,2,0,0,0,0|1,1,0]=4 2895 B12R1.1 Fc1ccc(cn1)COCCS 5f96632e0a6d8bbcc2b33a01a200799d [0,2,0,0,0,0|1,1,0]=4 2896 B12R1.1 Fc1ccc(cn1)NCCCCl 19a75ca885672e184bf691892425e763 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.1 Fc1ccc(cn1)NCCCS 866dd605b6d1384e14a7c50ed1b81fec [0,2,0,0,0,0|1,1,0]=4 2898 B12R1.1 Fc1ccc(cn1)OCCCS b2529a2d5d6df7f8202815248108a01e [0,2,0,0,0,0|1,1,0]=4 2899 B12R1.1 Fc1ccc(nc1)CNCCBr bef37b0ab360cbd9ab380c059ed56211 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.1 Fc1ccc(nc1)CNCCI 7e99eba8e51a0af5b68fde1f0e685999 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.1 Fc1ccc(nc1)CNCCS dc89db61e5fd88292467a871b70625c1 [0,2,0,0,0,0|1,1,0]=4 2902 B12R1.1 Fc1ccc(nc1)COCCS 2b6fc49dde03b616cdb76c160410a222 [0,2,0,0,0,0|1,1,0]=4 2903 B12R1.1 Fc1ccc(nc1)NCCCCl 5268c7dbed25c933beb54fa50d40dcd8 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.1 Fc1ccc(nc1)NCCCS c6ed71ef1e78a3b3cd292c35e4996e8e [0,2,0,0,0,0|1,1,0]=4 2905 B12R1.1 Fc1ccc(nc1)OCCCS aca8511ecc99507fd51ace6936ff8c09 [0,2,0,0,0,0|1,1,0]=4 2906 B12R1.1 ICCNCc1ccc(cc1)I 29f1572640797dc773f75c818257fe5a [0,2,0,0,0,0|1,0,0]=3 2907 B12R1.1 N#CCCNc1ccc(cc1)Br cf1c817b228a0e4c4877a07c4854ab66 [0,2,0,0,0,0|1,0,1]=4 2908 B12R1.1 N#CCCNc1ccc(cc1)Cl c5c6b57ba1c8a8cb44a58c4f237bb557 [0,2,0,0,0,0|1,0,1]=4 2909 B12R1.1 N#CCCNc1ccc(cc1)F 8f002f7dac4d7b5c8caa6f855bade1f9 [0,2,0,0,0,0|1,0,1]=4 2910 B12R1.1 N#CCCNc1ccc(cc1)I c041250222c642f84c55e3df0ae06448 [0,2,0,0,0,0|1,0,1]=4 2911 B12R1.1 N#CCCNc1ccc(cc1)S a2caf6181f266c6fbbc1cb56432ac7eb [0,2,0,0,0,0|1,0,1]=4 2912 B12R1.1 N#CCCOc1ccc(cc1)Br 823d43f8c35150bec55f461c2cbf8603 [0,2,0,0,0,0|1,0,1]=4 2913 B12R1.1 N#CCCOc1ccc(cc1)Cl 5e3536c92026b3f8585cf0847edaf1ee [0,2,0,0,0,0|1,0,1]=4 2914 B12R1.1 N#CCCOc1ccc(cc1)F cadbb25e60263050fa0a2d2f28f70d26 [0,2,0,0,0,0|1,0,1]=4 2915 B12R1.1 N#CCCOc1ccc(cc1)I 423b9c2b3b3b28a9e07d0d4f55d5ccc0 [0,2,0,0,0,0|1,0,1]=4 2916 B12R1.1 N#CCCOc1ccc(cc1)S bd7de0019bdd91c7081fa09b425fabfb [0,2,0,0,0,0|1,0,1]=4 2917 B12R1.1 N#CCNCc1ccc(cc1)Br 67a1904661597a0e3a00db674558a8b7 [0,2,0,0,0,0|1,0,1]=4 2918 B12R1.1 N#CCNCc1ccc(cc1)Cl 2a9a01961bd8e9efde30309201d4ca0e [0,2,0,0,0,0|1,0,1]=4 2919 B12R1.1 N#CCNCc1ccc(cc1)F ba290b2076da0eaff27c2f2c955e9125 [0,2,0,0,0,0|1,0,1]=4 2920 B12R1.1 N#CCNCc1ccc(cc1)I 9fbc183a1d34baaee258d42d1b107a0e [0,2,0,0,0,0|1,0,1]=4 2921 B12R1.1 N#CCOCc1ccc(cc1)Br 12c0641e58a146601e12a82a3477f304 [0,2,0,0,0,0|1,0,1]=4 2922 B12R1.1 N#CCOCc1ccc(cc1)Cl d70961d9fe1bc384a5e0bdb35f1f5be7 [0,2,0,0,0,0|1,0,1]=4 2923 B12R1.1 N#CCOCc1ccc(cc1)F 0ced03f44c769e0f1e8471755b02bbee [0,2,0,0,0,0|1,0,1]=4 2924 B12R1.1 N#CCOCc1ccc(cc1)I 7ea79044cc3e46de742244abd8688867 [0,2,0,0,0,0|1,0,1]=4 2925 B12R1.1 N#CCOCc1ccc(cc1)S 97e8a2da57b04188949e0042c6954af5 [0,2,0,0,0,0|1,0,1]=4 2926 B12R1.1 N#CNCCc1ccc(cc1)Br 5af6e1de133ac6c38132d9c2bb719737 [0,2,0,0,0,0|1,0,1]=4 2927 B12R1.1 N#CNCCc1ccc(cc1)Cl cbc80e9cb78aa388d33fe02e66366e8b [0,2,0,0,0,0|1,0,1]=4 2928 B12R1.1 N#CNCCc1ccc(cc1)F e895d9ad10cddcab11108a5f8ab4f2fe [0,2,0,0,0,0|1,0,1]=4 2929 B12R1.1 N#CNCCc1ccc(cc1)I cde595034f34d325dee902f9ed2025d5 [0,2,0,0,0,0|1,0,1]=4 2930 B12R1.1 NOCCNc1cc[n+](cc1)[O-] 14eb1e743871936eff584908f3932f7e [0,2,0,0,0,0|2,0,0]=4 2931 B12R1.1 NOCCNc1ccc(=O)oc1 440e1f5e13c4d32f107417bc0ceec919 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.1 NOCCNc1ccc(cc1)F caf25c2963581047ad41b7e88666963f [0,2,0,0,0,0|1,0,0]=3 2933 B12R1.1 NOCCNc1ccc(cc1)O b2930c85d84e10dbce5d42dfc999ba2b [0,2,0,0,0,0|1,0,0]=3 2934 B12R1.1 NOCCNc1ccc(cc1)S cb8034b8223cfa8a8dc946c642ad80f2 [0,2,0,0,0,0|1,0,0]=3 2935 B12R1.1 NOCCNc1ccc(cn1)F d893ebed037d683885807ce6ec55ee2e [0,2,0,0,0,0|2,0,0]=4 2936 B12R1.1 NOCCNc1ccc(cn1)O b75be59848970717b1d60d245135ef5a [0,2,0,0,0,0|2,0,0]=4 2937 B12R1.1 NOCCNc1ccc(cn1)S 6ae7213432f972b499d21580f1252f7f [0,2,0,0,0,0|2,0,0]=4 2938 B12R1.1 NOCCNc1ccc(nc1)F 100c4ca5f972d12f773915a8b38e9da9 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.1 NOCCNc1ccc(nc1)O 5e797834374302c92433dc4a99df3163 [0,2,0,0,0,0|2,0,0]=4 2940 B12R1.1 NOCCNc1ccc(nc1)S ef9bf8da7121785bde7b2b83bd8e2047 [0,2,0,0,0,0|2,0,0]=4 2941 B12R1.1 O/C=C\CNc1ccc(cc1)Br e101c01b8430bd381e849d06609c1f2c [0,2,0,0,0,0|0,0,2]=4 2942 B12R1.1 O/C=C\CNc1ccc(cc1)Cl bce7d45e1a96025dbbae33afabf21e11 [0,2,0,0,0,0|0,0,2]=4 2943 B12R1.1 O/C=C\CNc1ccc(cc1)F cf1906e364dc7d332ac52bb1bc065e8e [0,2,0,0,0,0|0,0,2]=4 2944 B12R1.1 O/C=C\CNc1ccc(cc1)I 75ff0fd4a636fe93c33b815f0d4de1d4 [0,2,0,0,0,0|0,0,2]=4 2945 B12R1.1 O/C=C\CNc1ccc(cc1)S ece71f8e7d8f38db85a2b5018d71825f [0,2,0,0,0,0|0,0,2]=4 2946 B12R1.1 O=CCCNc1ccc(cc1)Br dde51ba57234caeb939990ef0fa7161a [0,2,0,0,0,0|0,0,2]=4 2947 B12R1.1 O=CCCNc1ccc(cc1)Cl 1c9e53317b67a8eb919529e73dd018eb [0,2,0,0,0,0|0,0,2]=4 2948 B12R1.1 O=CCCNc1ccc(cc1)F 6620206edb076ba4ccb0f83353882a47 [0,2,0,0,0,0|0,0,2]=4 2949 B12R1.1 O=CCCNc1ccc(cc1)I 2bb6676c2fba515a9f81ca8b31a18089 [0,2,0,0,0,0|0,0,2]=4 2950 B12R1.1 O=CCCNc1ccc(cc1)S 10e69c977dbd78c72025cda05b1b392c [0,2,0,0,0,0|0,0,2]=4 2951 B12R1.1 O=CCCOc1ccc(cc1)Br 168933e61687a136a2428b93ef5d5f2b [0,2,0,0,0,0|0,0,2]=4 2952 B12R1.1 O=CCCOc1ccc(cc1)Cl 14a2963beea9531edf89833e7b71e20f [0,2,0,0,0,0|0,0,2]=4 2953 B12R1.1 O=CCCOc1ccc(cc1)F faf7c88b14f0cba96a8f556c33150c7d [0,2,0,0,0,0|0,0,2]=4 2954 B12R1.1 O=CCCOc1ccc(cc1)I ae706f156765b9464e92af27efe68187 [0,2,0,0,0,0|0,0,2]=4 2955 B12R1.1 O=CCCOc1ccc(cc1)S e480416402ac6e5c711befb67984f120 [0,2,0,0,0,0|0,0,2]=4 2956 B12R1.1 O=CCNCc1ccc(cc1)Br aadd0aa04b6e1d822369956fc50e961e [0,2,0,0,0,0|0,0,2]=4 2957 B12R1.1 O=CCNCc1ccc(cc1)Cl 276c48c9807f7c2e40ffaa6215b95f81 [0,2,0,0,0,0|0,0,2]=4 2958 B12R1.1 O=CCNCc1ccc(cc1)F b854f00a436220abaed49b212476819d [0,2,0,0,0,0|0,0,2]=4 2959 B12R1.1 O=CCNCc1ccc(cc1)I 9e4b5bf2642437ac5117f4af035042d7 [0,2,0,0,0,0|0,0,2]=4 2960 B12R1.1 O=CCOCc1ccc(cc1)Br 964e9f0b16db215b339a5998e6b7fff0 [0,2,0,0,0,0|0,0,2]=4 2961 B12R1.1 O=CCOCc1ccc(cc1)Cl 454918d130496d6a30dd3a1e9377379b [0,2,0,0,0,0|0,0,2]=4 2962 B12R1.1 O=CCOCc1ccc(cc1)F f2796350cb71ee405156e809a8425ec3 [0,2,0,0,0,0|0,0,2]=4 2963 B12R1.1 O=CCOCc1ccc(cc1)I 822fe2084fbb4379dd51e0ae724552e3 [0,2,0,0,0,0|0,0,2]=4 2964 B12R1.1 O=CCOCc1ccc(cc1)S 3bec55209d86571d15544044e5a56622 [0,2,0,0,0,0|0,0,2]=4 2965 B12R1.1 O=CNCCc1ccc(cc1)Br a5a16a79ad0baaae73c660257a39d530 [0,2,0,0,0,0|0,0,2]=4 2966 B12R1.1 O=CNCCc1ccc(cc1)Cl be760cbfa8f8e9a7d79b547f1b10042e [0,2,0,0,0,0|0,0,2]=4 2967 B12R1.1 O=CNCCc1ccc(cc1)F ac9fa43783b7ac50441089746444e45f [0,2,0,0,0,0|0,0,2]=4 2968 B12R1.1 O=CNCCc1ccc(cc1)I d81b8242c0f14e904792d884acb27d54 [0,2,0,0,0,0|0,0,2]=4 2969 B12R1.1 O=CNCCc1ccc(cc1)O 106440dbcf54d08c4e629d45ea4fefe3 [0,2,0,0,0,0|0,0,2]=4 2970 B12R1.1 O=c1ccc(c[nH]1)CNCCF 6b7f01075cc2fea94dddadb847acaf49 [0,2,0,0,0,0|2,0,0]=4 2971 B12R1.1 O=c1ccc(c[nH]1)CNCCO 5a5862cd1c1c50a6b9b465493ed9e6b2 [0,2,0,0,0,0|1,0,0]=3 2972 B12R1.1 O=c1ccc(c[nH]1)CNCCS 683445d43eb3b37537088b9a5c24aad8 [0,2,0,0,0,0|1,1,0]=4 2973 B12R1.1 O=c1ccc(c[nH]1)NCCCF 0fe5162299d1b56fadd2158d4fbd9c07 [0,2,0,0,0,0|2,0,0]=4 2974 B12R1.1 O=c1ccc(c[nH]1)NCCCO a9d30e2ce9b72f3e8ae229ea9e207ded [0,2,0,0,0,0|1,0,0]=3 2975 B12R1.1 O=c1ccc(c[nH]1)NCCCS b78ab7885372e936061fb55c5427e517 [0,2,0,0,0,0|1,1,0]=4 2976 B12R1.1 O=c1ccc(co1)NCCCO b08ab4fed7daa355d9a4c3326b451141 [0,2,0,0,0,0|1,0,0]=3 2977 B12R1.1 O=c1ccc(n[nH]1)NCCCO d9161ec897215a964d64786935a63408 [0,2,0,0,0,0|2,0,0]=4 2978 B12R1.1 O=c1ncc(c[nH]1)NCCCO 3f4e931c2daa7cfd2d82fb51d6e961de [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.1 OCCCNc1c[nH]c(=S)cn1 03009a8a8e004de746d26a6ca99b84c8 [0,2,0,0,0,0|2,0,0]=4 2980 B12R1.1 OCCCNc1ccc(cc1)Br c7951d3f685379f9502fe06476a8a338 [0,2,0,0,0,0|0,0,0]=2 2981 B12R1.1 OCCCNc1ccc(cc1)Cl daf88a5c918ec152659114da1e30ab3c [0,2,0,0,0,0|0,0,0]=2 2982 B12R1.1 OCCCNc1ccc(cc1)F f5c38cbd68e54fb5a6696dcdebb82fdd [0,2,0,0,0,0|0,0,0]=2 2983 B12R1.1 OCCCNc1ccc(cc1)I 4f547e26d083aba907ed147824b03f37 [0,2,0,0,0,0|0,0,0]=2 2984 B12R1.1 OCCCNc1ccc(cc1)S ed2c306a27bfa097af4b417d17f2c1d8 [0,2,0,0,0,0|0,0,0]=2 2985 B12R1.1 OCCCNc1ccc(cn1)Br 3890a2bf5b58d90f9a0e66930acdf4a5 [0,2,0,0,0,0|1,0,0]=3 2986 B12R1.1 OCCCNc1ccc(cn1)Cl c08db83bf75dba2ddb313a7d75c46791 [0,2,0,0,0,0|1,0,0]=3 2987 B12R1.1 OCCCNc1ccc(cn1)F 22e07c7b8154e35c5505a5b83ca26ab7 [0,2,0,0,0,0|1,0,0]=3 2988 B12R1.1 OCCCNc1ccc(cn1)I e42bacfb17ecc4958004b22c9dd473c1 [0,2,0,0,0,0|1,0,0]=3 2989 B12R1.1 OCCCNc1ccc(nc1)Br 1aebbc2bdcc4af5dafd87fcdf2619f42 [0,2,0,0,0,0|1,0,0]=3 2990 B12R1.1 OCCCNc1ccc(nc1)Cl 55913f540ec965415843f67064c8782a [0,2,0,0,0,0|1,0,0]=3 2991 B12R1.1 OCCCNc1ccc(nc1)F 60bcbd2a51ecd754922be80fff1e3d12 [0,2,0,0,0,0|1,0,0]=3 2992 B12R1.1 OCCCNc1ccc(nc1)I 5fe5861487eadc821bd897480dddeeb4 [0,2,0,0,0,0|1,0,0]=3 2993 B12R1.1 OCCCNc1ccc(nn1)Br db83a496225a6eba01d109334c4076b5 [0,2,0,0,0,0|2,0,0]=4 2994 B12R1.1 OCCCNc1ccc(nn1)Cl c5e90cf3ea918b2105765237cae63754 [0,2,0,0,0,0|2,0,0]=4 2995 B12R1.1 OCCCNc1ccc(nn1)F 672b505bbd911e7dd20a6af0b3471bc2 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.1 OCCCNc1ccc(nn1)I 9b480919df22b10dfa06312080c34e74 [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.1 OCCCNc1cnc(cn1)Br 136df2dfa491bce12bb2ca42f7dc2c93 [0,2,0,0,0,0|2,0,0]=4 2998 B12R1.1 OCCCNc1cnc(cn1)Cl 2d22f4a4e63ce6e757123106302e1404 [0,2,0,0,0,0|2,0,0]=4 2999 B12R1.1 OCCCNc1cnc(cn1)I b67cde0b8cd0694fb52cd1ec4e1db2c1 [0,2,0,0,0,0|2,0,0]=4 3000 B12R1.1 OCCCNc1cnc(nc1)Br 188ad18f5c76e7c04326edb9b753baf9 [0,2,0,0,0,0|2,0,0]=4 3001 B12R1.1 OCCCNc1cnc(nc1)Cl c8be7abbc459c22bcca52fba10e64c38 [0,2,0,0,0,0|2,0,0]=4 3002 B12R1.1 OCCCNc1cnc(nc1)I 62731bfc70f327e48789c140d542043f [0,2,0,0,0,0|2,0,0]=4 3003 B12R1.1 OCCCNc1ncc(cn1)Br e3c35dc2442fec326c92fac5d18cb26c [0,2,0,0,0,0|2,0,0]=4 3004 B12R1.1 OCCCNc1ncc(cn1)Cl 92d1e30d0a016c1eeda15141b2aa545a [0,2,0,0,0,0|2,0,0]=4 3005 B12R1.1 OCCCNc1ncc(cn1)F 5f45d910a63aad2bc2fa2ca786ea5367 [0,2,0,0,0,0|2,0,0]=4 3006 B12R1.1 OCCCNc1ncc(cn1)I c50ec3901957a76efebbd2adea57b99c [0,2,0,0,0,0|2,0,0]=4 3007 B12R1.1 OCCNCc1ccc(cc1)Br ef6e3fa863da8b0ba7364e1e488bf0ff [0,2,0,0,0,0|0,0,0]=2 3008 B12R1.1 OCCNCc1ccc(cc1)Cl 6c37f4b1fbba8d005a13e10baf3e7b47 [0,2,0,0,0,0|0,0,0]=2 3009 B12R1.1 OCCNCc1ccc(cc1)F 50a3277b116202ff95f82e2866b4ac22 [0,2,0,0,0,0|0,0,0]=2 3010 B12R1.1 OCCNCc1ccc(cc1)I 458e55b24e97288bd9d15144f3597933 [0,2,0,0,0,0|0,0,0]=2 3011 B12R1.1 OCCNCc1ccc(cn1)Br 31bc0c03031bd5ed923ca056c2c81ef0 [0,2,0,0,0,0|1,0,0]=3 3012 B12R1.1 OCCNCc1ccc(cn1)Cl 9bed1cceea86d0a5ac7d7e763a3fb59e [0,2,0,0,0,0|1,0,0]=3 3013 B12R1.1 OCCNCc1ccc(cn1)F c29b282007e11cc2345788493921a8f3 [0,2,0,0,0,0|1,0,0]=3 3014 B12R1.1 OCCNCc1ccc(nc1)Br 4584315c56061a6242ad12aa19f53767 [0,2,0,0,0,0|1,0,0]=3 3015 B12R1.1 OCCNCc1ccc(nc1)Cl 9ab934463ab4839cd5fb721b23c83314 [0,2,0,0,0,0|1,0,0]=3 3016 B12R1.1 OCCNCc1ccc(nc1)F d49349a64123f48475adce040a3e71ca [0,2,0,0,0,0|1,0,0]=3 3017 B12R1.1 OCCNCc1ccc(nn1)Cl 6a0c82747eccae40e12d3bd8cc135e83 [0,2,0,0,0,0|2,0,0]=4 3018 B12R1.1 OCCNCc1cnc(cn1)Br e5d5f556055f3d1d10a91969a322075e [0,2,0,0,0,0|2,0,0]=4 3019 B12R1.1 OCCNCc1cnc(cn1)Cl a6cd5545986f0d59101b5fbcedf17db0 [0,2,0,0,0,0|2,0,0]=4 3020 B12R1.1 OCCNCc1cnc(nc1)Cl 8d296e6ab28b7cac8e3f85705c88ada2 [0,2,0,0,0,0|2,0,0]=4 3021 B12R1.1 OCCNCc1ncc(cn1)Br da22f651e1f53c40eeea0b9a6e54dadb [0,2,0,0,0,0|2,0,0]=4 3022 B12R1.1 OCCNCc1ncc(cn1)Cl 97b308c93ea59dc6c9ff7f468459f8c0 [0,2,0,0,0,0|2,0,0]=4 3023 B12R1.1 OCCNCc1ncc(cn1)F 15b742bbf6390e0a059c84104ff2298d [0,2,0,0,0,0|2,0,0]=4 3024 B12R1.1 OCNCCc1ccc(cc1)Br 5002fae370904c851fcde267599347c5 [0,2,0,0,0,0|0,0,0]=2 3025 B12R1.1 OCNCCc1ccc(cc1)Cl b2f32d28efbf4a7328eb35278d7709ed [0,2,0,0,0,0|0,0,0]=2 3026 B12R1.1 OCNCCc1ccc(cc1)F acbd4fb4b98e7917bf59751c1a5767da [0,2,0,0,0,0|0,0,0]=2 3027 B12R1.1 OCNCCc1ccc(cc1)I 5ed81d2dff56905aa39a602a1ea05bf7 [0,2,0,0,0,0|0,0,0]=2 3028 B12R1.1 OCNCCc1ccc(cn1)Br 4d5386d701019a26c592831438abdd7d [0,2,0,0,0,0|1,0,0]=3 3029 B12R1.1 OCNCCc1ccc(nc1)Br 7131c524bb30ab06b3079194ab76d875 [0,2,0,0,0,0|1,0,0]=3 3030 B12R1.1 OCNCCc1ccc(nc1)Cl 62607623d9b116cff288a382eef9fedd [0,2,0,0,0,0|1,0,0]=3 3031 B12R1.1 OCNCCc1cnc(nc1)Cl 79305a0ba13132ad2283ce1440caf164 [0,2,0,0,0,0|2,0,0]=4 3032 B12R1.1 SCCCNc1ccc(cc1)Br 673d1851b71367718c45adf05845ceaa [0,2,0,0,0,0|0,1,0]=3 3033 B12R1.1 SCCCNc1ccc(cc1)Cl 48cecf77a4174329c4700db38a4923fa [0,2,0,0,0,0|0,1,0]=3 3034 B12R1.1 SCCCNc1ccc(cc1)I fc13b5f65462ddc42440f3d14018bcf0 [0,2,0,0,0,0|0,1,0]=3 3035 B12R1.1 SCCCNc1ccc(cc1)S 77f3bacf148ffbd8fcb02f2c9febd22f [0,2,0,0,0,0|0,1,0]=3 3036 B12R1.1 SCCCNc1ccc(cn1)Br e063d7991a0f1e8d1c2237d2ac0f1cce [0,2,0,0,0,0|1,1,0]=4 3037 B12R1.1 SCCCNc1ccc(cn1)Cl 1ab5a244118d69384daf2e9beb0d8a84 [0,2,0,0,0,0|1,1,0]=4 3038 B12R1.1 SCCCNc1ccc(cn1)I 1c4d2b20af84237ab0b3c97afe8fe4ba [0,2,0,0,0,0|1,1,0]=4 3039 B12R1.1 SCCCNc1ccc(nc1)Br 917a5bd9c3a0dc2d3fd6e5036557cd60 [0,2,0,0,0,0|1,1,0]=4 3040 B12R1.1 SCCCNc1ccc(nc1)Cl 4ec16f58303e591b419a5896ac8cb91b [0,2,0,0,0,0|1,1,0]=4 3041 B12R1.1 SCCCNc1ccc(nc1)I 2812982002bcba2a47cbe020cf1cda93 [0,2,0,0,0,0|1,1,0]=4 3042 B12R1.1 SCCCOc1ccc(cc1)Br 7ca5bad08bfa0faf908f2dd33e57fbf2 [0,2,0,0,0,0|0,1,0]=3 3043 B12R1.1 SCCCOc1ccc(cc1)Cl e7e571903ae970359ea1c0b405e7c866 [0,2,0,0,0,0|0,1,0]=3 3044 B12R1.1 SCCCOc1ccc(cc1)I bb2c23c36e855dc46050222cfb9e48f6 [0,2,0,0,0,0|0,1,0]=3 3045 B12R1.1 SCCCOc1ccc(cc1)S 8bb8c6d061913fa2e38214e821fbd3fe [0,2,0,0,0,0|0,1,0]=3 3046 B12R1.1 SCCCOc1ccc(cn1)Cl d1ae51b588151634b7af120c26e2d6bd [0,2,0,0,0,0|1,1,0]=4 3047 B12R1.1 SCCCOc1ccc(cn1)I ca22edb0573dd3a7915796653389a782 [0,2,0,0,0,0|1,1,0]=4 3048 B12R1.1 SCCCOc1ccc(nc1)Br 377993a7fcaa9c29c801a429adb4a253 [0,2,0,0,0,0|1,1,0]=4 3049 B12R1.1 SCCCOc1ccc(nc1)Cl e0b64e46b4e8924d4f2bd40d898d3d47 [0,2,0,0,0,0|1,1,0]=4 3050 B12R1.1 SCCCOc1ccc(nc1)I c2e00910bfb4dc5ef8c58ece65fdd88b [0,2,0,0,0,0|1,1,0]=4 3051 B12R1.1 SCCNCc1ccc(cc1)Br 824fa5cab6b3a6974481f539afbe2bf5 [0,2,0,0,0,0|0,1,0]=3 3052 B12R1.1 SCCNCc1ccc(cc1)Cl f3086d3f6a4f0ccf5a4881ad8509ed8c [0,2,0,0,0,0|0,1,0]=3 3053 B12R1.1 SCCNCc1ccc(cc1)I b9abcd8140e30ab1ff59b2cb841a7fd1 [0,2,0,0,0,0|0,1,0]=3 3054 B12R1.1 SCCNCc1ccc(cn1)Br 56cbb4a5727254a9dfeec19d5a82d5c1 [0,2,0,0,0,0|1,1,0]=4 3055 B12R1.1 SCCNCc1ccc(cn1)Cl 4cc9633c4ba698ce6d11ab5d6d65403c [0,2,0,0,0,0|1,1,0]=4 3056 B12R1.1 SCCNCc1ccc(nc1)Br 9839172e779e193950b324952b741916 [0,2,0,0,0,0|1,1,0]=4 3057 B12R1.1 SCCNCc1ccc(nc1)Cl ea40cd6e0a759de8099db1dd2fc461e4 [0,2,0,0,0,0|1,1,0]=4 3058 B12R1.1 SCCOCc1ccc(cc1)Br 2cf76b2330f709226506aa2b36f077ca [0,2,0,0,0,0|0,1,0]=3 3059 B12R1.1 SCCOCc1ccc(cc1)Cl baca89a988859fc7b8aeb01fb3e1a1bf [0,2,0,0,0,0|0,1,0]=3 3060 B12R1.1 SCCOCc1ccc(cc1)I ab7879817cec768a48a5852d80ffb645 [0,2,0,0,0,0|0,1,0]=3 3061 B12R1.1 SCCOCc1ccc(cc1)S 5ec6089e109e3d3e513687503d2120da [0,2,0,0,0,0|0,1,0]=3 3062 B12R1.1 SCCOCc1ccc(cn1)Br 32b8b6bcd508961d911dc7db985faa2b [0,2,0,0,0,0|1,1,0]=4 3063 B12R1.1 SCCOCc1ccc(cn1)Cl 86816919f44bd10f210bd0756c250875 [0,2,0,0,0,0|1,1,0]=4 3064 B12R1.1 SCCOCc1ccc(cn1)I 120c08bb2db16bac64fed75b0e9ef8d9 [0,2,0,0,0,0|1,1,0]=4 3065 B12R1.1 SCCOCc1ccc(nc1)Br 23a3de7479436d84f51e346f8926c6a4 [0,2,0,0,0,0|1,1,0]=4 3066 B12R1.1 SCCOCc1ccc(nc1)Cl 4ff56ad3d155b88c6750716948da4f9c [0,2,0,0,0,0|1,1,0]=4 3067 B12R1.1 Sc1ccc(cc1)NCCCCl e2d433918759b3bb6ce75d96391dcab0 [0,2,0,0,0,0|1,0,0]=3 3068 B12R1.1 Sc1ccc(cn1)NCCCCl f8195eeb2c26a22fa78854f672cfdadb [0,2,0,0,0,0|2,0,0]=4 3069 B12R1.1 [O-][n+]1ccc(cc1)COCCF cb7b2441262ee15a7a7347bcd3084149 [0,2,0,0,0,0|2,0,0]=4 3070 B12R1.1 [O-][n+]1ccc(cc1)COCCS 821997b26a070dab5841b5b751f6fb73 [0,2,0,0,0,0|1,1,0]=4 3071 B12R1.16 CC(NCF)c1ccc(cc1)F e3184fa4c42ae84d1c9ef936216c69a2 [0,2,0,0,0,0|2,0,0]=4 3072 B12R1.16 CC(NCF)c1ccc(cc1)I f2151bf5edf37061e6e1092a8c2147a8 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.16 CC(NCO)c1ccc(cc1)Br e264284758536dfc8fd891f61c9a75cc [0,2,0,0,0,0|1,0,0]=3 3074 B12R1.16 CC(NCO)c1ccc(cc1)Cl 50ceb9a6f3e8c24248339e2481d8c9af [0,2,0,0,0,0|1,0,0]=3 3075 B12R1.16 CC(NCO)c1ccc(cc1)F 23a029e032bb878119d4a3308cec3264 [0,2,0,0,0,0|1,0,0]=3 3076 B12R1.16 CC(NCO)c1ccc(cc1)I 5b775b5cd3bc6f45567774a49e261411 [0,2,0,0,0,0|1,0,0]=3 3077 B12R1.16 CC(NCO)c1ccc(cn1)Br 716a5b826ecc6e3bda6128879c75410e [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.16 CC(NCO)c1ccc(cn1)Cl 01d92ac18b87f7ab788ece321e2a59b8 [0,2,0,0,0,0|2,0,0]=4 3079 B12R1.16 CC(NCO)c1ccc(cn1)F 357bad0a70866eafe2f91270772a041a [0,2,0,0,0,0|2,0,0]=4 3080 B12R1.16 CC(NCO)c1ccc(nc1)Cl 5b71e3ed43d4288d22193639ae701e7f [0,2,0,0,0,0|2,0,0]=4 3081 B12R1.16 CC(NCO)c1ccc(nc1)F b274d47eada08398a458007f432b1507 [0,2,0,0,0,0|2,0,0]=4 3082 B12R1.16 CC(OCF)c1ccc(cc1)Br 236b3907feecec97ec17720249b19928 [0,2,0,0,0,0|2,0,0]=4 3083 B12R1.16 CC(OCF)c1ccc(cc1)Cl 83333c6b37c7786b1791b8fe58d88452 [0,2,0,0,0,0|2,0,0]=4 3084 B12R1.16 CC(OCF)c1ccc(cc1)F 8c37a0b4d137a61dd127c7f36d203962 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.16 CC(OCF)c1ccc(cc1)I bdda7360c180e4619e05145b589292de [0,2,0,0,0,0|2,0,0]=4 3086 B12R1.16 CCCN(C)c1ccc(cc1)Br e61bdd8a108f27231a2f1e4f464a0449 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.16 CCCN(C)c1ccc(cc1)Cl 8843e79cc118a8b39cb7a4677c22e893 [0,2,0,0,0,0|2,0,0]=4 3088 B12R1.16 CCCN(C)c1ccc(cc1)F b2f2c1c375300f70a9f9d3af7ea22019 [0,2,0,0,0,0|2,0,0]=4 3089 B12R1.16 CCCN(C)c1ccc(cc1)I b6bdb6a0f5c52c6e29ef784cbc5fe7ee [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.16 CCCN(C)c1ccc(cc1)S ed9ea5c5681310eb4dd3a9ca34a4baf1 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.16 CCNC(C)c1ccc(cc1)C a50a292b0f9ab98a935a045bf6f5df18 [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.16 CCNC(C)c1ccc(cc1)F 90b07bc2b2295f4c41db42242c518735 [0,2,0,0,0,0|2,0,0]=4 3093 B12R1.16 CCNC(C)c1ccc(cc1)I 08a361f82931829d0267b9a6741fe60a [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C 0ed8e55d6183d258b51cdca6296060eb [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 1cdeff47614cd0408e972403b21ec1f4 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I d8251c0e8ba76150b133d569aa22ac48 [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 156165d95a1b59d54961645431890c7a [0,2,0,0,0,0|2,0,0]=4 3098 B12R1.16 CCN[C@H](C)c1ccc(cc1)F ae87029077c5b327ded4690eccde6389 [0,2,0,0,0,0|2,0,0]=4 3099 B12R1.16 CCN[C@H](C)c1ccc(cc1)I 2a878af2411beb0b90eb41ee2af406ec [0,2,0,0,0,0|2,0,0]=4 3100 B12R1.16 CCOC(C)c1ccc(cc1)Br 982b0de4fe585ef0ed4de9a2ad175c76 [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.16 CCOC(C)c1ccc(cc1)C 396c60b3d54a12f6e40154fa61bed9a2 [0,2,0,0,0,0|2,0,0]=4 3102 B12R1.16 CCOC(C)c1ccc(cc1)Cl f3e42c6226de75401fcbe78959e283b4 [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.16 CCOC(C)c1ccc(cc1)F aa2360b399b3a087ca1f4c68307ca7f9 [0,2,0,0,0,0|2,0,0]=4 3104 B12R1.16 CCOC(C)c1ccc(cc1)I df7946fcea9073fd52039fd14b542186 [0,2,0,0,0,0|2,0,0]=4 3105 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Br baebd2a419f28b0a8d634bb2e1beabd2 [0,2,0,0,0,0|2,0,0]=4 3106 B12R1.16 CCO[C@@H](C)c1ccc(cc1)C 4b30f3a8366a8fb2f9c8e9aab05e6a26 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl b58e0ece298e7501aaf1b8b3f7a60aa4 [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.16 CCO[C@@H](C)c1ccc(cc1)F 4ecc8dc42f537f03870cfcf5e10780d9 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.16 CCO[C@@H](C)c1ccc(cc1)I c1b200e42035110d73ed51b5e0160363 [0,2,0,0,0,0|2,0,0]=4 3110 B12R1.16 CCO[C@H](C)c1ccc(cc1)Br ad3a9b113cf467bd3633b78e4753cf67 [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 2b0a96f73189e636184d743f74d1f9b2 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.16 CCO[C@H](C)c1ccc(cc1)Cl 733a1736cadd5d822b040a3bf9e6e663 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.16 CCO[C@H](C)c1ccc(cc1)F b784fadab1e81279e11581819d36414a [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.16 CCO[C@H](C)c1ccc(cc1)I 1b18a984c01fe648b9af7b33a1359669 [0,2,0,0,0,0|2,0,0]=4 3115 B12R1.16 CN(CCF)c1ccc(cc1)Br 822558f1ba369b6f99edf8db7845cca0 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.16 CN(CCF)c1ccc(cc1)Cl cf5d167dc50dc94d37e643c35cd673ee [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.16 CN(CCF)c1ccc(cc1)F bfa2dad64eb734bf9a45a9aa83b5bdcb [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.16 CN(CCF)c1ccc(cc1)I 4437dd8850c053cde1fe0f16dcb300d9 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.16 CN(CCF)c1ccc(cc1)S f374de2366c8e8d89127c310dc39d02e [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.16 CN(CCO)c1ccc(cc1)F 5b0804e8d676760fc0cf47e7aff03c16 [0,2,0,0,0,0|1,0,0]=3 3121 B12R1.16 CN(CCO)c1ccc(cc1)I 2fb77c962cd3219ae72876e08c3e5a94 [0,2,0,0,0,0|1,0,0]=3 3122 B12R1.16 CN(CCO)c1ccc(cc1)S 9089b70beb90b73f4598074855976a7c [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.16 CN(CCO)c1ccc(cn1)Br f5dd82d478107581635dd00680c94db1 [0,2,0,0,0,0|2,0,0]=4 3124 B12R1.16 CN(CCO)c1ccc(cn1)Cl 5094b06ad3e2fba43a901542e05dd2d7 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.16 CN(CCO)c1ccc(cn1)F 6e77cd608167d446fb3a318af99cc1a3 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.16 CN(CCO)c1ccc(cn1)I 342edf162fb26c607ff98b91080e443c [0,2,0,0,0,0|2,0,0]=4 3127 B12R1.16 CN(CCO)c1ccc(nc1)Br 2fc871e5846b1ebaa4343e746a78a5ff [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.16 CN(CCO)c1ccc(nc1)Cl cd30cbfb251ec57281230b108f9a1d15 [0,2,0,0,0,0|2,0,0]=4 3129 B12R1.16 CN(CCO)c1ccc(nc1)F e58145a68e45bf834b3221da22e05d77 [0,2,0,0,0,0|2,0,0]=4 3130 B12R1.16 CN(CCS)c1ccc(cc1)Br 489ac502c3dea07c4fa90f816fd3f097 [0,2,0,0,0,0|1,1,0]=4 3131 B12R1.16 CN(CCS)c1ccc(cc1)Cl 846e4400d279cfb0a90d194758cf1a57 [0,2,0,0,0,0|1,1,0]=4 3132 B12R1.16 CN(CCS)c1ccc(cc1)F d7f1b06c18d4f6bb0d61ffd689652208 [0,2,0,0,0,0|1,1,0]=4 3133 B12R1.16 CN(CCS)c1ccc(cc1)I fbd10d703de3a180071b8336256d895c [0,2,0,0,0,0|1,1,0]=4 3134 B12R1.16 CN(CCS)c1ccc(cc1)S 16504f40226b9f16c1cbdbcb9b0fb164 [0,2,0,0,0,0|1,1,0]=4 3135 B12R1.16 C[C@@H](NCF)c1ccc(cc1)F 2c2720ca35eedaa74ba98bd126a7b434 [0,2,0,0,0,0|2,0,0]=4 3136 B12R1.16 C[C@@H](NCF)c1ccc(cc1)I 63e69ab8ae3622f8a20bb2d4249ee750 [0,2,0,0,0,0|2,0,0]=4 3137 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Br c6b6a70a9b2dd44f9426c662be2d9c9c [0,2,0,0,0,0|1,0,0]=3 3138 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Cl 277abe0b1b70407116a774272f8f041f [0,2,0,0,0,0|1,0,0]=3 3139 B12R1.16 C[C@@H](NCO)c1ccc(cc1)F 3ccc055b9e8bf808e9a760cdb1260a44 [0,2,0,0,0,0|1,0,0]=3 3140 B12R1.16 C[C@@H](NCO)c1ccc(cc1)I 2ef404df7004faa0f0c6fdd986814320 [0,2,0,0,0,0|1,0,0]=3 3141 B12R1.16 C[C@@H](NCO)c1ccc(cn1)Br 880f72b495747140fda463fee7c1fb53 [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.16 C[C@@H](NCO)c1ccc(nc1)Cl 358d960326c341b7d783e4a5e9fb24f8 [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Br a559ccb2f0b3df3219b286e8b79a2f55 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Cl 6d6b455e74677e915c3fb0b91a4e0c0d [0,2,0,0,0,0|2,0,0]=4 3145 B12R1.16 C[C@@H](OCF)c1ccc(cc1)F 10dabee5a34917a287411d72a32ff354 [0,2,0,0,0,0|2,0,0]=4 3146 B12R1.16 C[C@@H](OCF)c1ccc(cc1)I 2c2f78576465480dc40f2fc0df0c2a0e [0,2,0,0,0,0|2,0,0]=4 3147 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 8349596821e8c5f0a9f3ecaa613ee363 [0,2,0,0,0,0|2,0,0]=4 3148 B12R1.16 C[C@H](NCF)c1ccc(cc1)I d016577ede5e80390b1cac6bf8279b8b [0,2,0,0,0,0|2,0,0]=4 3149 B12R1.16 C[C@H](NCO)c1ccc(cc1)Br c112b1ab773d0ee6c20418ed7c378e51 [0,2,0,0,0,0|1,0,0]=3 3150 B12R1.16 C[C@H](NCO)c1ccc(cc1)Cl 8aca1f606b786514917b510d66c1fab5 [0,2,0,0,0,0|1,0,0]=3 3151 B12R1.16 C[C@H](NCO)c1ccc(cc1)F 223505081048da9ae4e8d6a9b94d01a9 [0,2,0,0,0,0|1,0,0]=3 3152 B12R1.16 C[C@H](NCO)c1ccc(cc1)I a08bb1bb1f3e3d6214e12b19fda00f9d [0,2,0,0,0,0|1,0,0]=3 3153 B12R1.16 C[C@H](NCO)c1ccc(cn1)Br 81127c90c0e6a796e57f984979295e0e [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.16 C[C@H](NCO)c1ccc(cn1)Cl b11d24def764c7eebc8315f0b73ff44b [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.16 C[C@H](NCO)c1ccc(cn1)F d9653656d737dab8d4f200ced80fcb91 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.16 C[C@H](NCO)c1ccc(nc1)Cl 4616028d795d162df82202e6a1f5c483 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.16 C[C@H](OCF)c1ccc(cc1)Br 7aabaa75140816c96ee3928e62b15dd9 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 4e81ce6cd9d962c868d57129bdae2a9e [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.16 C[C@H](OCF)c1ccc(cc1)F 289cf3b0de93cb59c2ff0b7ab2420e05 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.16 C[C@H](OCF)c1ccc(cc1)I 65c70a6662e664ad837470f8fd4fa259 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.16 Cc1ccc(cc1)C(C)NCF 1d5731703f4077c8ef67df98d3c94f4e [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.16 Cc1ccc(cc1)C(C)NCO 6e45f6689dbe224a21e83db0dd19e6de [0,2,0,0,0,0|1,0,0]=3 3163 B12R1.16 Cc1ccc(cc1)C(C)OCF e9d60b83476771ae90e246ba316a36fb [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.16 Cc1ccc(cc1)N(C)CCO 39042d771df47b8469e33261b483f64a [0,2,0,0,0,0|1,0,0]=3 3165 B12R1.16 Cc1ccc(cc1)N(C)CCS 2d7f2cfe06740aa0e23780f43bb310ae [0,2,0,0,0,0|1,1,0]=4 3166 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 0a0cd8cc9b79ef2fcf8f9739269f827c [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCO 6ad3623e107a53b7c7c6d36133d94314 [0,2,0,0,0,0|1,0,0]=3 3168 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 13a5bd08c8932589c6d7751c4d108245 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.16 Cc1ccc(cc1)[C@H](C)NCF 2390ee34e9a21252d067df59327a8866 [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.16 Cc1ccc(cc1)[C@H](C)NCO 3620253068391a97254572594e674572 [0,2,0,0,0,0|1,0,0]=3 3171 B12R1.16 Cc1ccc(cc1)[C@H](C)OCF 0f88a2e92752d13fef78fe01f4ed8f81 [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.16 Cc1ccc(cn1)N(C)CCO 7da6b04130b7abc445b46c2afcefc1d1 [0,2,0,0,0,0|2,0,0]=4 3173 B12R1.16 Cc1ccc(nc1)C(C)NCO 815a59a3482ead3c1d64cff523afb224 [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.16 Cc1ccc(nc1)N(C)CCO be077089d938b0fbe9e3f71ca0bd4ac4 [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.16 Cc1ccc(nc1)[C@@H](C)NCO 01421659ca0f80eae84f14754c4597b0 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.21 CC(C)CNc1ccc(cc1)Br aafc6d7f6bffefff521c174b2e36cf47 [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.21 CC(C)CNc1ccc(cc1)Cl b590bea18aa2be2fe9530b5825b6b83d [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.21 CC(C)CNc1ccc(cc1)F f869f8ebca9e23d7a314cca58e04355a [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.21 CC(C)CNc1ccc(cc1)I f5ed240cfb530eb638c88433537d6bc6 [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.21 CC(C)CNc1ccc(cc1)S 5aebae70a565a4395c9f06d404e49e19 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.21 CC(C)COc1ccc(cc1)Br 688e322571e772c33ef9f7f1b70011c4 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.21 CC(C)COc1ccc(cc1)Cl f021a9169c3057630072da40a25929d0 [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.21 CC(C)COc1ccc(cc1)F 041d5d9f7bc26d03338ae74cc974acbe [0,2,0,0,0,0|2,0,0]=4 3184 B12R1.21 CC(C)COc1ccc(cc1)I c8700cb8e6ceb84be023f81a6b63abe0 [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.21 CC(C)COc1ccc(cc1)S 93dc663c86ffdc9dd467a4fa1c50d8c7 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.21 CC(C)NCc1ccc(cc1)Br 37c09d76c90c7ae49ec6a65ce3a6a041 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.21 CC(C)NCc1ccc(cc1)Cl 19728114897127fa755988490a2025d5 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.21 CC(C)NCc1ccc(cc1)F 76a0754a7751d3d66ff80ab158c9f2b0 [0,2,0,0,0,0|2,0,0]=4 3189 B12R1.21 CC(C)NCc1ccc(cc1)I 49ceb1852914812d45311ac4b38b1f31 [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.21 CC(C)OCc1ccc(cc1)Br bb4176ce0b9ad4d7fb8568832a43e29a [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.21 CC(C)OCc1ccc(cc1)Cl abfc8ca1cd1171daf8ae63ae6bec02b0 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.21 CC(C)OCc1ccc(cc1)F ac9a18f3d487a18e76f77222965a393f [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.21 CC(C)OCc1ccc(cc1)I a45cec946311a49c5890d06f9a04aef0 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.21 CC(C)OCc1ccc(cc1)S 8bebaeb2cc5402024d06e9416cbf6988 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.21 CC(O)CNc1ccc(=O)[nH]c1 fe0ef9f5074b82f8f95ef30bad6eaaec [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.21 CC(O)CNc1ccc(cc1)Br 6cc2dd3906a998fe7a5d4e2a8d208d21 [0,2,0,0,0,0|1,0,0]=3 3197 B12R1.21 CC(O)CNc1ccc(cc1)Cl 30612ac8d45eff6171f59f16b2492f67 [0,2,0,0,0,0|1,0,0]=3 3198 B12R1.21 CC(O)CNc1ccc(cc1)F 44764ce23148993885c02e8cea63902c [0,2,0,0,0,0|1,0,0]=3 3199 B12R1.21 CC(O)CNc1ccc(cc1)I 8fb5974b6715edad9e8863320d6bae04 [0,2,0,0,0,0|1,0,0]=3 3200 B12R1.21 CC(O)CNc1ccc(cc1)S 6ef936aebb7976c5c92d176540ed67f0 [0,2,0,0,0,0|1,0,0]=3 3201 B12R1.21 CC(O)CNc1ccc(cn1)Br 3bb705e8b8882ecbcb75e3aafb5cb397 [0,2,0,0,0,0|2,0,0]=4 3202 B12R1.21 CC(O)CNc1ccc(cn1)Cl a0461b6c7f6ad9724e717a03872b2b92 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.21 CC(O)CNc1ccc(cn1)F 709e9c446a73da6a4e03b61a673f02f3 [0,2,0,0,0,0|2,0,0]=4 3204 B12R1.21 CC(O)CNc1ccc(cn1)I f0d6e74c59cf163dd0d30a8e9491e2e6 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.21 CC(O)CNc1ccc(nc1)Br a542c1d9e7cf0e130887ca34de5abc7f [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.21 CC(O)CNc1ccc(nc1)Cl 2a1cbdbd92bca6158a94cb2d7caacea7 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.21 CC(O)CNc1ccc(nc1)F dab207a7d149400a047fe59c6dd352b8 [0,2,0,0,0,0|2,0,0]=4 3208 B12R1.21 CC(O)CNc1ccc(nc1)I ed5e8982e5c801e62f5181b175b31078 [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2ad4df23c69dfa44e26a216951079c17 [0,2,0,0,0,0|1,0,0]=3 3210 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F d13032a00d782f9fd58bde9b7b7e5b40 [0,2,0,0,0,0|1,0,0]=3 3211 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I fcafc0398c9f6631b1e264180519d9a5 [0,2,0,0,0,0|1,0,0]=3 3212 B12R1.21 C[C@@H](O)CNc1ccc(cc1)S c5036038618daf9d110f2837b38cc7f0 [0,2,0,0,0,0|1,0,0]=3 3213 B12R1.21 C[C@@H](O)CNc1ccc(cn1)I 4372f82851e4ac2d780523c3cb2e9aaf [0,2,0,0,0,0|2,0,0]=4 3214 B12R1.21 C[C@@H](O)CNc1ccc(nc1)Cl 0b072a983c28bdb115b4e0bd834036bd [0,2,0,0,0,0|2,0,0]=4 3215 B12R1.21 C[C@@H](O)CNc1ccc(nc1)F b382e47334999ee55f54bd8309b42c71 [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.21 C[C@H](O)CNc1ccc(=O)[nH]c1 3af6b84894ad5bd91e3770aa97cb289c [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.21 C[C@H](O)CNc1ccc(cc1)Br dfc814dc76baf36262caaec8d25f4215 [0,2,0,0,0,0|1,0,0]=3 3218 B12R1.21 C[C@H](O)CNc1ccc(cc1)Cl 8fb7f0b55d9fe9f1cdafd45ef42c2de4 [0,2,0,0,0,0|1,0,0]=3 3219 B12R1.21 C[C@H](O)CNc1ccc(cc1)F 4385cb997d0b526c90619c1645b8b1ad [0,2,0,0,0,0|1,0,0]=3 3220 B12R1.21 C[C@H](O)CNc1ccc(cc1)I 7222c72737ac92de3960850b939145d2 [0,2,0,0,0,0|1,0,0]=3 3221 B12R1.21 C[C@H](O)CNc1ccc(cc1)S 638aabe1512824e4dc38e2389b85f596 [0,2,0,0,0,0|1,0,0]=3 3222 B12R1.21 C[C@H](O)CNc1ccc(cn1)Br 1a24c54c176cbcb49489e48c1efa3a9b [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.21 C[C@H](O)CNc1ccc(cn1)Cl d098040213df0bdb930eb14d21e66802 [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.21 C[C@H](O)CNc1ccc(cn1)F e81983c3e4747cd69b645e7ae3c93b33 [0,2,0,0,0,0|2,0,0]=4 3225 B12R1.21 C[C@H](O)CNc1ccc(cn1)I 767c705e53bfc23b58214ff37510f109 [0,2,0,0,0,0|2,0,0]=4 3226 B12R1.21 C[C@H](O)CNc1ccc(nc1)Br 9c48efee9c9cff6d5a96217167e77ce3 [0,2,0,0,0,0|2,0,0]=4 3227 B12R1.21 C[C@H](O)CNc1ccc(nc1)Cl e4468ea427969982ddeeb854ca54009a [0,2,0,0,0,0|2,0,0]=4 3228 B12R1.21 C[C@H](O)CNc1ccc(nc1)F a8cb8979fd8f15707d9df65901983e8d [0,2,0,0,0,0|2,0,0]=4 3229 B12R1.21 C[C@H](O)CNc1ccc(nc1)I d890ed11396f2cae41a408b951219b57 [0,2,0,0,0,0|2,0,0]=4 3230 B12R1.21 Cc1ccc(cc1)CNC(C)C 9f3293af5f5347150ac2434f1c0f5ea3 [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.21 Cc1ccc(cc1)COC(C)C 7eda3a9e7a3c4601d0edf3097f1c1fb1 [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.21 Cc1ccc(cc1)NCC(=O)O 74e964dee6b2c45f80d52be884637f2a [0,2,0,0,0,0|1,0,1]=4 3233 B12R1.21 Cc1ccc(cc1)NCC(C)C d33fe3d6c1e672a348e9fedb377a9185 [0,2,0,0,0,0|2,0,0]=4 3234 B12R1.21 Cc1ccc(cc1)NCC(C)O 8379462492ffae9a9aea5a1dcd1f96eb [0,2,0,0,0,0|1,0,0]=3 3235 B12R1.21 Cc1ccc(cc1)NCC(F)F 8dbaec332eb7c95f0a28f44a63b384cf [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O a5239ddc3731748474623fb5c2811c3d [0,2,0,0,0,0|1,0,0]=3 3237 B12R1.21 Cc1ccc(cc1)NC[C@H](C)O 07456d37e9494f0c908a5c4ac8161df3 [0,2,0,0,0,0|1,0,0]=3 3238 B12R1.21 Cc1ccc(cc1)OCC(=O)O b391ad11299a568c97edf041fe65000c [0,2,0,0,0,0|1,0,1]=4 3239 B12R1.21 Cc1ccc(cc1)OCC(C)C c1aa096b3782800b4571efa5c0f498bc [0,2,0,0,0,0|2,0,0]=4 3240 B12R1.21 Cc1ccc(cc1)OCC(F)F 64bd7b21ecd6aa2ebbade786a513dbf6 [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.21 Cc1ccc(cn1)NCC(C)O f2810c201523a66605acea892064dd67 [0,2,0,0,0,0|2,0,0]=4 3242 B12R1.21 Cc1ccc(cn1)NC[C@H](C)O ece7c29ab5bb61a6fc85f34a024e2877 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.21 Cc1ccc(nc1)NCC(C)O 55cf6d0ffbcf3e2dad324ab76d9d53e3 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.21 Cc1ccc(nc1)NC[C@@H](C)O 20c469c17324998b728338dc116c2199 [0,2,0,0,0,0|2,0,0]=4 3245 B12R1.21 Cc1ccc(nc1)NC[C@H](C)O 6cacad85bc513bc56640526407b45f29 [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.21 FC(F)CNc1ccc(cc1)Br 0f4038464005f37649633330f51e0e41 [0,2,0,0,0,0|2,0,0]=4 3247 B12R1.21 FC(F)CNc1ccc(cc1)Cl 1d970371d8de6593ae223a422fa08cfc [0,2,0,0,0,0|2,0,0]=4 3248 B12R1.21 FC(F)CNc1ccc(cc1)I 35b593c561089596470c7b137fe37aee [0,2,0,0,0,0|2,0,0]=4 3249 B12R1.21 FC(F)CNc1ccc(cc1)S 0f9e8754e4b2588d5105e1b86dd09025 [0,2,0,0,0,0|2,0,0]=4 3250 B12R1.21 FC(F)COc1ccc(cc1)Br d5a1939523c4ca2a483b248611e0f62a [0,2,0,0,0,0|2,0,0]=4 3251 B12R1.21 FC(F)COc1ccc(cc1)Cl a5860fd83d8cce6628f31ae6c4bebf4c [0,2,0,0,0,0|2,0,0]=4 3252 B12R1.21 FC(F)COc1ccc(cc1)I e45f78d4049ab40db2f7a29a69780ef7 [0,2,0,0,0,0|2,0,0]=4 3253 B12R1.21 FC(F)COc1ccc(cc1)S 098a379994ab4ea0b7edbda81bdd75fd [0,2,0,0,0,0|2,0,0]=4 3254 B12R1.21 Fc1ccc(cc1)NCC(F)F 08747e994c4d5dbb11e848da42b9e70e [0,2,0,0,0,0|2,0,0]=4 3255 B12R1.21 Fc1ccc(cc1)OCC(F)F acab3603fec94a494e629634c12e3115 [0,2,0,0,0,0|2,0,0]=4 3256 B12R1.21 O=C(O)CNc1ccc(cc1)Br 7da0d863f5bb29f83e0c10f1f7c0547e [0,2,0,0,0,0|1,0,1]=4 3257 B12R1.21 O=C(O)CNc1ccc(cc1)Cl ecfcb6d7f6b9c05aeb6ab6499e94dfa4 [0,2,0,0,0,0|1,0,1]=4 3258 B12R1.21 O=C(O)CNc1ccc(cc1)F 4e89215ad65c56d949cab153f0ac84e0 [0,2,0,0,0,0|1,0,1]=4 3259 B12R1.21 O=C(O)CNc1ccc(cc1)I 2ba461660eb79ccc00a06823117a48dd [0,2,0,0,0,0|1,0,1]=4 3260 B12R1.21 O=C(O)CNc1ccc(cc1)S f20c646ff83492b8833296086758cc6a [0,2,0,0,0,0|1,0,1]=4 3261 B12R1.21 O=C(O)COc1ccc(cc1)Br b2e258860e40223ee9da79dbd882e7d5 [0,2,0,0,0,0|1,0,1]=4 3262 B12R1.21 O=C(O)COc1ccc(cc1)Cl 28aa8b483311aaf8605303390d0ded6a [0,2,0,0,0,0|1,0,1]=4 3263 B12R1.21 O=C(O)COc1ccc(cc1)F a0f040c73294c1633c8e3593094e773e [0,2,0,0,0,0|1,0,1]=4 3264 B12R1.21 O=C(O)COc1ccc(cc1)I d32cb6deb654e7f5efc087ff2ed69aa0 [0,2,0,0,0,0|1,0,1]=4 3265 B12R1.21 O=C(O)COc1ccc(cc1)S 8835852d462b385559e65d146a31e233 [0,2,0,0,0,0|1,0,1]=4 3266 B12R1.49 CC(CO)Nc1ccc(=O)[nH]c1 ac371798df64003805918789f0e6bec8 [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.49 CC(CO)Nc1ccc(cc1)Br 592ef5953e06db03ec99416b117263ef [0,2,0,0,0,0|1,0,0]=3 3268 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 6e245977f2eddb60c0247b5c843b676d [0,2,0,0,0,0|1,0,0]=3 3269 B12R1.49 CC(CO)Nc1ccc(cc1)F 4b0578096f484cca12cad3c022131099 [0,2,0,0,0,0|1,0,0]=3 3270 B12R1.49 CC(CO)Nc1ccc(cc1)I 774ceb747df2f9a4ee3d7a744cbb4ea7 [0,2,0,0,0,0|1,0,0]=3 3271 B12R1.49 CC(CO)Nc1ccc(cc1)S 6476a5e0718364a34b1792ef13298738 [0,2,0,0,0,0|1,0,0]=3 3272 B12R1.49 CC(CO)Nc1ccc(cn1)Br 94606cb94945a2ef3e8ee090cfd9fb45 [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.49 CC(CO)Nc1ccc(cn1)Cl 961bd8aa0a2ddf29f9396ecadb7fd2f5 [0,2,0,0,0,0|2,0,0]=4 3274 B12R1.49 CC(CO)Nc1ccc(cn1)F a1103ee0673aa700a41ed9a8336c78cf [0,2,0,0,0,0|2,0,0]=4 3275 B12R1.49 CC(CO)Nc1ccc(cn1)I a28e0745d894d147daa75862cd393987 [0,2,0,0,0,0|2,0,0]=4 3276 B12R1.49 CC(CO)Nc1ccc(nc1)Br bd6e16e1b752fd73e2d385bb2f7b3038 [0,2,0,0,0,0|2,0,0]=4 3277 B12R1.49 CC(CO)Nc1ccc(nc1)Cl 46ed51a7bc0497c3b455e7dba1811d7f [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.49 CC(CO)Nc1ccc(nc1)F 2417f7f246cf00a750eee1b638f68700 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.49 CCC(C)Nc1ccc(cc1)Br 4d1c483cf4afbfba9a2f8d3db94bec3f [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.49 CCC(C)Nc1ccc(cc1)C 3b1fa0514d720f4b3db404292b778124 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 76d63efd5fc59378ea17379a47e7b19f [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.49 CCC(C)Nc1ccc(cc1)F e00a92636e95efc27604581ea177b931 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.49 CCC(C)Nc1ccc(cc1)I 442f4ce893379ae3f70afc3980567446 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.49 CCC(C)Nc1ccc(cc1)S d4e426a89d91db8144c9fb2dff511b9d [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.49 CCC(C)Oc1ccc(cc1)Br e9ac760eb966c46626ad8cc78ce8ab95 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.49 CCC(C)Oc1ccc(cc1)C 7e96b7f640ec60a64eac66e0769be3a7 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.49 CCC(C)Oc1ccc(cc1)Cl e4591e0baef7f8d77d4837bf4d9fdb37 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.49 CCC(C)Oc1ccc(cc1)F c16cd2d17d48a9601c3d676d21db62eb [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.49 CCC(C)Oc1ccc(cc1)I 1f03b3dddba16cff63099651f2c3fd3b [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.49 CCC(C)Oc1ccc(cc1)S d9f5a2f73690dbd57408915a8a39b443 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.49 CCN(C)Cc1ccc(cc1)Br 1cd45e4ca45fae9e98f9fb1c46e39cc6 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.49 CCN(C)Cc1ccc(cc1)C 055291017524f626e0726902d4240145 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 44a860069a7f680293c76e814fd41a95 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.49 CCN(C)Cc1ccc(cc1)F 54dace8f30df290c27637058b77ffe21 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.49 CCN(C)Cc1ccc(cc1)I 5d72761060d288ad1c94906cd08bd152 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.49 CC[C@@H](C)Nc1ccc(cc1)S cbd8e9c1c5acf2775569733e10999d98 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.49 CC[C@H](C)Nc1ccc(cc1)S fffd6af76aaef88a5e0ba51aece02cfc [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.49 CN(CF)Cc1ccc(cc1)Br 1c98aaf588285d3dd9f73536ec902634 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 1a19e37accbfa35c145aa7afd68f1e35 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.49 CN(CF)Cc1ccc(cc1)F cb4a8bfaf28fb4375125182c6f95b1a1 [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.49 CN(CF)Cc1ccc(cc1)I a40135575e4a37cd9b5d74c27cd08e30 [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.49 CN(CO)Cc1ccc(cc1)Br 5e55a925cd3dce7e6241436ae8c54919 [0,2,0,0,0,0|1,0,0]=3 3303 B12R1.49 CN(CO)Cc1ccc(cc1)Cl dab1af0d42fcee1a60d38378d8e8efce [0,2,0,0,0,0|1,0,0]=3 3304 B12R1.49 CN(CO)Cc1ccc(cc1)F 7fd3b80fbdb09310d5fe39719fff8ba6 [0,2,0,0,0,0|1,0,0]=3 3305 B12R1.49 CN(CO)Cc1ccc(cc1)I 586b1a870616a315f891e0fa55e04ab9 [0,2,0,0,0,0|1,0,0]=3 3306 B12R1.49 CN(CO)Cc1ccc(nc1)Br acbd7be1713c7851b73810c27f715e93 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.49 CN(CO)Cc1ccc(nc1)Cl a4d8534fd0a4a393a809ed2df00a5077 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.49 C[C@@H](CO)Nc1ccc(=O)[nH]c1 2663dcff7243bbde6f1002066411c077 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)Br 81ff9fcc021a132282f1894c27228443 [0,2,0,0,0,0|1,0,0]=3 3310 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)Cl 895f70fe0dbe38715df711db55f41f0c [0,2,0,0,0,0|1,0,0]=3 3311 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)F 9b79cc3b0525c5fa5f4e86071dc6a6d4 [0,2,0,0,0,0|1,0,0]=3 3312 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)I f030c452e948f44d3d2e91d60b707da3 [0,2,0,0,0,0|1,0,0]=3 3313 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)S 43c8b001202cbd567805dbe271a67550 [0,2,0,0,0,0|1,0,0]=3 3314 B12R1.49 C[C@@H](CO)Nc1ccc(cn1)Cl e67bfa07435b47ff49285cb7e422b815 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.49 C[C@@H](CO)Nc1ccc(cn1)F b9faaf94908e1ba89b64f00f41c0cafd [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.49 C[C@@H](CO)Nc1ccc(cn1)I 9e756c7f0a06e4bbfa5760c604f5a5bf [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.49 C[C@@H](CO)Nc1ccc(nc1)Br 1d611bd564105e97cbd0259527821676 [0,2,0,0,0,0|2,0,0]=4 3318 B12R1.49 C[C@@H](CO)Nc1ccc(nc1)Cl b77dff8cd1b17c732de7b206cd349050 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.49 C[C@@H](CO)Nc1ccc(nc1)F 262d9176e479e4661b0a3722c72670d9 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.49 C[C@H](CO)Nc1ccc(=O)[nH]c1 a8690a44285a7a47632cbd2aa0dce9ce [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.49 C[C@H](CO)Nc1ccc(cc1)Br af8120a15198da801643963289e3f0b4 [0,2,0,0,0,0|1,0,0]=3 3322 B12R1.49 C[C@H](CO)Nc1ccc(cc1)Cl 356f51342fc5e10d8fb2b3371a2ed97a [0,2,0,0,0,0|1,0,0]=3 3323 B12R1.49 C[C@H](CO)Nc1ccc(cc1)F 1f77c87bbae95423a93fe876d033eefc [0,2,0,0,0,0|1,0,0]=3 3324 B12R1.49 C[C@H](CO)Nc1ccc(cc1)I a3869a49772cee44011ad8dc480d5c9d [0,2,0,0,0,0|1,0,0]=3 3325 B12R1.49 C[C@H](CO)Nc1ccc(cc1)S 85732fce8faa73b572919e248911292a [0,2,0,0,0,0|1,0,0]=3 3326 B12R1.49 C[C@H](CO)Nc1ccc(cn1)Cl fa103daf569fee75f32b9a3bdc0e5351 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.49 C[C@H](CO)Nc1ccc(cn1)F fb7a7b0eb34e8e21554f2fa3ea8e01da [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.49 C[C@H](CO)Nc1ccc(cn1)I 679ff13e01eb0f3278882532678b4245 [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.49 C[C@H](CO)Nc1ccc(nc1)Br 6d5dc0fe5b65d516b515946ef3b064d3 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.49 C[C@H](CO)Nc1ccc(nc1)Cl f149fed0c54e3e712d60892921e0ca81 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.49 C[C@H](CO)Nc1ccc(nc1)F ee221ccdcacb36804e1f2682ae351155 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.49 Cc1ccc(cc1)CN(C)CF c0df0a0174bffac791963bd2047037d3 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.49 Cc1ccc(cc1)CN(C)CO ed474c07bd59a560c88e17955d9c9bb2 [0,2,0,0,0,0|1,0,0]=3 3334 B12R1.49 Cc1ccc(cc1)NC(C)CO 3a65f703743c7582d59d27c4b911a046 [0,2,0,0,0,0|1,0,0]=3 3335 B12R1.49 Cc1ccc(cc1)N[C@@H](C)CO 2d26d3567e3cf630da5665d889609cd2 [0,2,0,0,0,0|1,0,0]=3 3336 B12R1.49 Cc1ccc(cc1)N[C@H](C)CO ef5026ef31ef684c9c9940edc6a6ea55 [0,2,0,0,0,0|1,0,0]=3 3337 B12R1.49 Cc1ccc(cn1)CN(C)CO ece34abcbf16b2b1a2f352abcba7f926 [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.49 Cc1ccc(cn1)NC(C)CO fe8736593649ae0fdf850768d2fd4a83 [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.49 Cc1ccc(cn1)N[C@@H](C)CO e06793396685fbfa84e56a22fcc772f6 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.49 Cc1ccc(cn1)N[C@H](C)CO b235f37c2a175e982f955356bf8fcc48 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.49 Cc1ccc(nc1)CN(C)CO cf8e946fd101dabd0147cba3aa0c257a [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.49 Cc1ccc(nc1)NC(C)CO 8be71426a89f9b3fc19771a9bea3710c [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.49 Cc1ccc(nc1)N[C@@H](C)CO 1200aaaac454694027214749085732b8 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.49 Cc1ccc(nc1)N[C@H](C)CO d86670f1ba12ed4085cdf6903f8b6525 [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.49 O=C(CO)Nc1ccc(cc1)S 1f7438a0d638af8df2912f2825545a62 [0,2,0,0,0,0|1,0,1]=4 3346 B12R1.69 CCCNc1ccc(cc1Br)Cl 4ee485f21a6afce0a45dee0db6fcab2d [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.69 CCCNc1ccc(cc1Br)I d907b7a022bb4534aee3df1688140927 [0,2,0,0,0,0|2,0,0]=4 3348 B12R1.69 CCCNc1ccc(cc1C)C 6185b042d87676c555d26832467ae984 [0,2,0,0,0,0|2,0,0]=4 3349 B12R1.69 CCCNc1ccc(cc1C)Cl 0de9c53625a1688a5e26d3a55f0307d1 [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.69 CCCNc1ccc(cc1C)F 400ae990bdd403ef4fc25230bf9b7933 [0,2,0,0,0,0|2,0,0]=4 3351 B12R1.69 CCCNc1ccc(cc1C)I 4c61aae67a70f2be3332538a828bed69 [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.69 CCCNc1ccc(cc1Cl)C 535df6daa6c1f64dfc0ffbfa7a0ccf56 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.69 CCCNc1ccc(cc1Cl)Cl 031e64bc7c2fe5f35d82d0cf25e58fc6 [0,2,0,0,0,0|2,0,0]=4 3354 B12R1.69 CCCNc1ccc(cc1Cl)F 4c47c14c78414719ffc9f05dcb083384 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.69 CCCNc1ccc(cc1Cl)I 1dab8c84d4ef835eb8564d91aafc3a2c [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.69 CCCNc1ccc(cc1F)Cl 7219f73214cc1540d98449bc7971b5b2 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.69 CCCNc1ccc(cc1F)I 7d9d5b6be87874b93201b257629a706b [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.69 CCCNc1ccc(cc1I)Br 6ac227d53689ca8535d3e24c6e7a6766 [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.69 CCCNc1ccc(cc1I)C 85d439ba844dc901b2d03dd982fdb88c [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.69 CCCNc1ccc(cc1I)Cl 9b79c3b80646442e88a1bf48010c3b01 [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.69 CCCNc1ccc(cc1I)F bbcaffa7710329585ccd21e9e63f7e0b [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.69 CCCNc1ccc(cc1I)I 65d473e81340fc7d9564a0a9ba1353b8 [0,2,0,0,0,0|2,0,0]=4 3363 B12R1.69 CCCNc1ccc(cc1N)N 18f5d5d646db97c2333feb2817856256 [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.69 CCCNc1ccc(cc1S)Cl 9f02c6bb197664738d5aa90f242f529a [0,2,0,0,0,0|2,0,0]=4 3365 B12R1.69 CCCNc1ccc(cc1S)F 315398dd9ce06b01cb170707e15e8485 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.69 CCCOc1ccc(cc1Br)Br 550cd51562733edfd304e684ac003840 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.69 CCCOc1ccc(cc1Br)C 6a9536c279485b11f5ba701f7ed51747 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.69 CCCOc1ccc(cc1Br)Cl a26dfb1198e3c577fc66947b0ae827cb [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.69 CCCOc1ccc(cc1Br)F 16a3610db87d182cfd6890b9787e1826 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.69 CCCOc1ccc(cc1Br)I efd522032821cc46341014910fd03e2e [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.69 CCCOc1ccc(cc1C)Br 35b2fac262918c173c78367040b327d7 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.69 CCCOc1ccc(cc1C)C 6223b1cd5d3b24de7342e635ec882d84 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.69 CCCOc1ccc(cc1C)Cl 9090f04c61c0eae33fb3de56a1c844dd [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.69 CCCOc1ccc(cc1C)F dd1b06eeeb1194a2f5c8c705ee561afc [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.69 CCCOc1ccc(cc1C)I a73d8aefbcd710efdd4f2cec914dae37 [0,2,0,0,0,0|2,0,0]=4 3376 B12R1.69 CCCOc1ccc(cc1C)S 40524318ce1863894e2be322bf68a89a [0,2,0,0,0,0|2,0,0]=4 3377 B12R1.69 CCCOc1ccc(cc1Cl)Br d30fc6f5778500c90a467646f3e3de1c [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.69 CCCOc1ccc(cc1Cl)C 67022b49be86eab10f361dd913c82e38 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.69 CCCOc1ccc(cc1Cl)Cl ad5542be8e2a6775eb00eec6785e1949 [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.69 CCCOc1ccc(cc1Cl)F 4743ed312e67abdac7b50e22d1383555 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.69 CCCOc1ccc(cc1Cl)I aa20bebe4ebee9ffde8b745103d4e1bd [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.69 CCCOc1ccc(cc1F)Br 0f6f48a955a66f733788839c111a70c9 [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.69 CCCOc1ccc(cc1F)C a3351b0c7f934657f9072cc7cafa1598 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.69 CCCOc1ccc(cc1F)Cl 15f5252d8ea046a7220ff30a3d185db7 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.69 CCCOc1ccc(cc1F)F 9b2d939eda223f22c46c1592b41519e8 [0,2,0,0,0,0|2,0,0]=4 3386 B12R1.69 CCCOc1ccc(cc1F)I 1926a17dfee299d9eefd536f195159cd [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.69 CCCOc1ccc(cc1I)Br c94cba9957b14abddb913dcaff104073 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.69 CCCOc1ccc(cc1I)C 0d4b3fd126cd8293051b6b6dbd6983e2 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.69 CCCOc1ccc(cc1I)Cl 4db3139ad959814ca4d6a21595e75068 [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.69 CCCOc1ccc(cc1I)F 32ec535edf928e8df1f7cd9d67d7ea49 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.69 CCCOc1ccc(cc1I)I a19d56fdb9acf6dd7e602ba9b46da017 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.69 CCNCc1ccc(cc1Br)Cl 0c764a4df4cafc377d5dd81994fe17ba [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.69 CCNCc1ccc(cc1C)Br f9969cbc383f5bfce93b11e3888f54d6 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.69 CCNCc1ccc(cc1C)C 75d8243d029d8d87a1b5c084f35292ec [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.69 CCNCc1ccc(cc1C)Cl bfc053c35f83c31044da14a45e804e79 [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.69 CCNCc1ccc(cc1C)F fb0b7340224415681f4ef75a8b4ecf45 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.69 CCNCc1ccc(cc1Cl)Br 6c76e4f1ad2a288c85abe91c03e5f7f3 [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.69 CCNCc1ccc(cc1Cl)C 3411b6f786e66247ade84dec8eb3bca7 [0,2,0,0,0,0|2,0,0]=4 3399 B12R1.69 CCNCc1ccc(cc1Cl)Cl c4ebea3a8ec9d27215083f5b50726e9b [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.69 CCNCc1ccc(cc1Cl)F 1b571ebe872ddd83d093932445679421 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.69 CCNCc1ccc(cc1F)Br 908278b31d0a2d5dbee866707025c903 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.69 CCNCc1ccc(cc1F)C 99a9f2ce72557e8769932b6d624310dd [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.69 CCNCc1ccc(cc1F)Cl a6c4d922594fde11f20ab9f019b082aa [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.69 CCNCc1ccc(cc1F)F 7b84487dcfdaf3f67ffb722edb655286 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.69 CCNCc1ccc(cc1F)I 95fa53dcac9fee5a0b47d0cd274031a8 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.69 CCNCc1ccc(cc1I)Br a294fa58de47f5a82e126116880bba94 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.69 CCOCc1ccc(cc1Br)Br 55e4ef5cc8bd83eda1d410c376250e83 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.69 CCOCc1ccc(cc1Br)Cl 72fbedbfe2a80344d88dbfbb02f74664 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.69 CCOCc1ccc(cc1Br)F 27b8948050f0c12aa82e0cf486f77996 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.69 CCOCc1ccc(cc1Br)I da4b1ca0f9051785fa1947e4964329f4 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.69 CCOCc1ccc(cc1C)Br 2b940635e1dc21019cb15af9e36fa41f [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.69 CCOCc1ccc(cc1C)C 26057615b3cfbcb0235508f3c1a02952 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.69 CCOCc1ccc(cc1C)Cl 8be7d00242c6138a77a7f65ad46fba0c [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.69 CCOCc1ccc(cc1C)F d961c30c3f83778b945b54441240bf67 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.69 CCOCc1ccc(cc1C)I 8c82a7f7ff9e1b4bfab11177fe051494 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.69 CCOCc1ccc(cc1Cl)Br fbe8f2d3c2cd1c09d995b95dbfee0f23 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.69 CCOCc1ccc(cc1Cl)C 18802c05ec5c527e8e1847ab843b79bd [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.69 CCOCc1ccc(cc1Cl)Cl 06f2dda67f6c43b24dac1b61f3f19345 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.69 CCOCc1ccc(cc1Cl)F a6b421a80046f8e7a365ce0fd5b7e269 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.69 CCOCc1ccc(cc1Cl)I e76a820ec54eddc69fe3d36a21244709 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.69 CCOCc1ccc(cc1F)Br 23eb1f422b6157bed4a3dba9fd01a99e [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.69 CCOCc1ccc(cc1F)C d7312b56e32975093a57824f56e19b1f [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.69 CCOCc1ccc(cc1F)Cl 27029f1dc8dca0cc1d33dba1beb7ccef [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.69 CCOCc1ccc(cc1F)F a6d37027a0ebf101ab371ab2fe59f5ac [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.69 CCOCc1ccc(cc1F)I dda6d6d5ee7a40542508a26aedd92b31 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.69 CCOCc1ccc(cc1I)Br 5ed4ca7f69b2f5796e2d57f6f64a8892 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.69 CCOCc1ccc(cc1I)C 581696ef32cdc4c6897f02321dcc0a50 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.69 CCOCc1ccc(cc1I)Cl bc24ebd53bad8b1b73705a1fe51af87e [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.69 CCOCc1ccc(cc1I)F 5348410945f4d992902f12eca19428f7 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.69 Cc1[nH]c(=O)ccc1NCCO 8c9dd2fda2338714bb8b539bf3f8b94e [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.69 Cc1cc(c(cn1)CNCO)C 69020ec6e87d85ec04d452d96a6dc87f [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.69 Cc1cc(c(cn1)NCCO)Br 4610b602520b2f20007f5c101590cf13 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.69 Cc1cc(c(cn1)NCCO)C f57dd9c2409351b3644abfeba4e66051 [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.69 Cc1cc(c(cn1)NCCO)Cl f0a255c63bb393fd8af11351d1ad27aa [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.69 Cc1cc(ccc1CNCF)Br 2973a4d6be9acb739b84f6e9c8a87de0 [0,2,0,0,0,0|2,0,0]=4 3436 B12R1.69 Cc1cc(ccc1CNCF)Cl f0d55d32cf64729cefe6422c0bd1eaf8 [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.69 Cc1cc(ccc1CNCF)F b6e7c92702c0933ed1a4e03ca815a8dd [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.69 Cc1cc(ccc1CNCO)Br b5262abb3bb448acc7cd64a2bd5394b6 [0,2,0,0,0,0|1,0,0]=3 3439 B12R1.69 Cc1cc(ccc1CNCO)Cl 9d7944c8f6c0778a3eec81e7a8de213b [0,2,0,0,0,0|1,0,0]=3 3440 B12R1.69 Cc1cc(ccc1CNCO)F 71af0c73670348ee21e3da3ace730281 [0,2,0,0,0,0|1,0,0]=3 3441 B12R1.69 Cc1cc(ccc1COCF)Br ef934d0a9437950dfd23f6dd7a9e3a8b [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.69 Cc1cc(ccc1COCF)Cl 8bc32ad6ae224dd66c9e3ea2989f3278 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.69 Cc1cc(ccc1COCF)F 9bfb8f471720589f4c92f3432ab226df [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.69 Cc1cc(ccc1COCF)I 8bb1e5eec119e5069a209fed47aa513c [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.69 Cc1cc(ccc1NCCF)Br 042f2e19b58dc1a877e6b54b916b723f [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.69 Cc1cc(ccc1NCCF)Cl a90506bd52a31a28ee7dee35ee0848cf [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.69 Cc1cc(ccc1NCCF)F 85a3abf55ecd12bd403172f7222c2532 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.69 Cc1cc(ccc1NCCF)I c39ae9f61087f29579b7b8d62d213742 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.69 Cc1cc(ccc1NCCO)Cl 1f5cd80d19f29c3be91f5666650aaf36 [0,2,0,0,0,0|1,0,0]=3 3450 B12R1.69 Cc1cc(ccc1NCCO)F 2e16df26c049a07073fc48b0c6804f61 [0,2,0,0,0,0|1,0,0]=3 3451 B12R1.69 Cc1cc(ccc1NCCO)I 6b48799f925c9ffdb6d8ddd5a288dc16 [0,2,0,0,0,0|1,0,0]=3 3452 B12R1.69 Cc1cc(ccc1NCCS)Br f65b4768605e53a9164d22e254da6dda [0,2,0,0,0,0|1,1,0]=4 3453 B12R1.69 Cc1cc(ccc1NCCS)Cl 2a2283574dcb34f00a12cf6a3a6c62c0 [0,2,0,0,0,0|1,1,0]=4 3454 B12R1.69 Cc1cc(ccc1NCCS)F 46304bb7c7fb4e232c61acfe50db05a6 [0,2,0,0,0,0|1,1,0]=4 3455 B12R1.69 Cc1cc(ccc1NCCS)I 28fae52ba652cdbab7d1b7f0db1c17f1 [0,2,0,0,0,0|1,1,0]=4 3456 B12R1.69 Cc1cc(ccc1OCCF)Br 344a16edceda5a89b61710a1576385df [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.69 Cc1cc(ccc1OCCF)Cl 0a41359c5f47702a0d2a4adb8438ecd0 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.69 Cc1cc(ccc1OCCF)F 9ec9f6883c6ec89eccdcfd92be0e6991 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.69 Cc1cc(ccc1OCCF)I d71284bfba9a2f41879f20d2f4771e7f [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.69 Cc1cc(ccc1OCCF)S 434f796a1f34bed75e29644b5986b91e [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.69 Cc1cc(ccc1OCCS)Br dd92bc35e941a8c891b33edf2a107c7d [0,2,0,0,0,0|1,1,0]=4 3462 B12R1.69 Cc1cc(ccc1OCCS)Cl 4e20c22d91fd9810b7fa9532d7e35905 [0,2,0,0,0,0|1,1,0]=4 3463 B12R1.69 Cc1cc(ccc1OCCS)F 7bf5e3ef0cfe1d87323318f5a8a1a02f [0,2,0,0,0,0|1,1,0]=4 3464 B12R1.69 Cc1cc(ccc1OCCS)I 3646087a8500814cde6a9924813ecd81 [0,2,0,0,0,0|1,1,0]=4 3465 B12R1.69 Cc1cc(ccc1OCCS)S e9e15c1d07cc93f7f31a806bc34acc10 [0,2,0,0,0,0|1,1,0]=4 3466 B12R1.69 Cc1cc(cnc1CNCO)Br e8771edc8216d48da3561c0298c58e75 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.69 Cc1cc(cnc1NCCO)Br 754b09b4a7da7860c87f1c96d138e6fd [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.69 Cc1cc(cnc1NCCO)Cl 6d3d1be38743b65151667ef055edf3a6 [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.69 Cc1cc(cnc1NCCO)F 3a3e85cd1486aad24b278378e9fbf1c2 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.69 Cc1cc(cnc1NCCO)I 13b6827a6fdd5b4e095c5f961518b0fa [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.69 Cc1cc(ncc1CNCO)Br 8ab3b58c3e3426061e77aea8ec5c08c7 [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.69 Cc1cc(ncc1NCCO)Br 96d9b968ba11391aeb294a1af16f2c57 [0,2,0,0,0,0|2,0,0]=4 3473 B12R1.69 Cc1cc(ncc1NCCO)Cl 0a19f8e7523257428b3225603a9588a2 [0,2,0,0,0,0|2,0,0]=4 3474 B12R1.69 Cc1cc(ncc1NCCO)F c5cdfb8334857442fd66204c6c527baf [0,2,0,0,0,0|2,0,0]=4 3475 B12R1.69 Cc1ccc(c(=O)[nH]1)CNCO c30e8f65e89d0df6dbda0f8586cebf5c [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.69 Cc1ccc(c(c1)Br)COCF 69e31c5403d36fd9ef895745a17aeaa3 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.69 Cc1ccc(c(c1)Br)OCCS 4fe899e08c46c5388c01e0d995b4061f [0,2,0,0,0,0|1,1,0]=4 3478 B12R1.69 Cc1ccc(c(c1)C)CNCF 5ae6faced57c17506278d3361c1be002 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.69 Cc1ccc(c(c1)C)CNCO 6568206546064b08bc9b0c347bda6279 [0,2,0,0,0,0|1,0,0]=3 3480 B12R1.69 Cc1ccc(c(c1)C)COCF f04efe47e7deb1cb8a226c198e9dab6e [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.69 Cc1ccc(c(c1)C)NCCF a7f6da5236bc7ff6af128e0a22ea12f9 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.69 Cc1ccc(c(c1)C)NCCO 5c191efd37d0fcb5d8aebb0ced636256 [0,2,0,0,0,0|1,0,0]=3 3483 B12R1.69 Cc1ccc(c(c1)C)NCCS eb5d064befdeeac8fade4c881407ba4d [0,2,0,0,0,0|1,1,0]=4 3484 B12R1.69 Cc1ccc(c(c1)C)OCCF 702a79f0bf4a489b25178129131eb94c [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.69 Cc1ccc(c(c1)C)OCCS a6c1eb6c40c8b111813d17306fc1dbb7 [0,2,0,0,0,0|1,1,0]=4 3486 B12R1.69 Cc1ccc(c(c1)Cl)CNCF 844544d36b33d0f1f2cba48562f61e92 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.69 Cc1ccc(c(c1)Cl)CNCO 04ecaf9cc9a5d84a1ea48d1c4d6e12a6 [0,2,0,0,0,0|1,0,0]=3 3488 B12R1.69 Cc1ccc(c(c1)Cl)COCF b002c2d94ec231548700c2b1be7e6309 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.69 Cc1ccc(c(c1)Cl)NCCF 6620d040dff37192d444465874312cb0 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.69 Cc1ccc(c(c1)Cl)NCCO a2bbcaeb8280f1453d4f5cc412081d17 [0,2,0,0,0,0|1,0,0]=3 3491 B12R1.69 Cc1ccc(c(c1)Cl)NCCS 9fa7fbdbc3a3f918c3898dae2053ac0e [0,2,0,0,0,0|1,1,0]=4 3492 B12R1.69 Cc1ccc(c(c1)Cl)OCCF a61cf86037539d6a44d4892e62e50517 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.69 Cc1ccc(c(c1)Cl)OCCS 314c19e0e7d8af8670cb8c4c928c72b2 [0,2,0,0,0,0|1,1,0]=4 3494 B12R1.69 Cc1ccc(c(c1)F)CNCF c2ea5996fc44604131364380efa49b7b [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.69 Cc1ccc(c(c1)F)CNCO 9d706a2cd13c6c67ae28447836e6c180 [0,2,0,0,0,0|1,0,0]=3 3496 B12R1.69 Cc1ccc(c(c1)F)COCF 12f295fd915da8bd24faa8b82aec275b [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.69 Cc1ccc(c(c1)F)NCCS 5f9307751bc4a168864296d7478a8ff5 [0,2,0,0,0,0|1,1,0]=4 3498 B12R1.69 Cc1ccc(c(c1)F)OCCF 636d1cef27ca2f1be5fa2dd061266d67 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.69 Cc1ccc(c(c1)F)OCCS efd657bed378b884bc2615938722a643 [0,2,0,0,0,0|1,1,0]=4 3500 B12R1.69 Cc1ccc(c(c1)I)COCF 458d34cd23f2e3a197bf4f68a5e6ba44 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.69 Cc1ccc(c(c1)I)NCCF 92f91c23979f4cdc831cf7cfec40812a [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.69 Cc1ccc(c(c1)I)NCCO 7ee6cac37994fa0d098446bff443ab13 [0,2,0,0,0,0|1,0,0]=3 3503 B12R1.69 Cc1ccc(c(c1)I)NCCS 8377518a9eea60ca5c58214873a37503 [0,2,0,0,0,0|1,1,0]=4 3504 B12R1.69 Cc1ccc(c(c1)I)OCCF d4bf92bfc6963241c5b06558f9004642 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.69 Cc1ccc(c(c1)I)OCCS 8f2282af860c29f49286949cc0ecc2c7 [0,2,0,0,0,0|1,1,0]=4 3506 B12R1.69 Cc1ccc(c(c1)S)NCCO d8a0c9cf9bc36f8b196d0f0f11e3b5e4 [0,2,0,0,0,0|1,0,0]=3 3507 B12R1.69 Cc1ccc(c(c1)S)NCCS 8c7295a39d4b44b37af28b61d6269c9f [0,2,0,0,0,0|1,1,0]=4 3508 B12R1.69 Cc1ccc(c(n1)Br)NCCO 7f8440d621f5e3c591e19d0b236f664c [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.69 Cc1ccc(c(n1)C)CNCO d47b987333e8dc731e326fb45b022bb7 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.69 Cc1ccc(c(n1)C)NCCO bc52116a31cf12bdabf377ce46323699 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.69 Cc1ccc(c(n1)Cl)NCCO 2678961b49ce081dfaaa2c24099e1308 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.69 Cc1ccc(c(n1)F)NCCO 0f6b3f87202b6f739123f8755ef47755 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.69 Cc1ccc(c(n1)I)NCCO 4949f7122396a07211aba547fe061b01 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.69 Cc1cnc(c(c1)Br)NCCO 414922e2fb101d76392ef8b60e32bb9b [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.69 Cc1cnc(c(c1)C)NCCO 39fdd0374a02d7203966c9478a7b028d [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.69 Cc1cnc(c(c1)Cl)CNCO 4504980d8185955b23b34f138b7ef0cd [0,2,0,0,0,0|2,0,0]=4 3517 B12R1.69 Cc1cnc(c(c1)Cl)NCCO 14a9cd439fc7f7d31ea1d0622bb540db [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.69 Cc1cnc(c(c1)F)CNCO a10e98c4498965900a56eb1839a8e44f [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.69 Cc1cnc(c(c1)F)NCCO 741cae6be4c9ec6784a38df0d49b8a11 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.69 Cc1cnc(c(c1)I)NCCO c6e6c2e25a919c4f5328f0b4a77300bc [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.69 Cc1nc(ccc1NCCO)Br 1117dacd68b13c62d7325a9e261d67f0 [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.69 Cc1nc(ccc1NCCO)Cl 1366c3eeb591ae7939ffdea80a3be472 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.69 Cc1nc(ccc1NCCO)F 12360c923b50f8301b2d89c3e0bc9d5f [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.69 FCCNc1ccc(cc1Br)Cl fe98e098b23fc73928857165acf66391 [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.69 FCCNc1ccc(cc1Br)F b294ee648150c163b399991a8f7b3612 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.69 FCCNc1ccc(cc1Br)I 7e768ac7c6393f74521fdd77494d1487 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.69 FCCNc1ccc(cc1Cl)Br 9f6439100dfa9b7ce30dc72315f28e98 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.69 FCCNc1ccc(cc1Cl)Cl e8aba33ec87f425f9247f34b6c1a773e [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.69 FCCNc1ccc(cc1Cl)F cf761b2cc5c031fb9d93797931889979 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.69 FCCNc1ccc(cc1Cl)I a6359c0dc17be55128faf8acccd09202 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.69 FCCNc1ccc(cc1F)Cl 391db4528b20e89bc25fef439e4b2352 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.69 FCCNc1ccc(cc1F)F 7890e1fa8aed5739eb4e9e321fbfc035 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.69 FCCNc1ccc(cc1F)I a6a1de2bb068c8a81758edb38dd42a1a [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.69 FCCNc1ccc(cc1I)Br 8004e4182ea6dbbbac39f0bb7dca9f0b [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.69 FCCNc1ccc(cc1I)Cl b609764bf73f9ced8d64d8a5fb26e610 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.69 FCCNc1ccc(cc1I)F 848f701e9f7942931f514b4733cd7cda [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.69 FCCNc1ccc(cc1I)I 1e086cf4c0b7ad40c8f531cc92909b0c [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.69 FCCNc1ccc(cc1S)Cl 8e193e7f1a5754f0eda25ce1fde5c813 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.69 FCCNc1ccc(cc1S)F 66423c4a0f8f72f9dce622f95201791e [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.69 FCCOc1ccc(cc1Br)Cl 0b27d90058a610ec3749c445a5044988 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.69 FCCOc1ccc(cc1Br)F ce420b3f6af057a044d87d972f505adb [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.69 FCCOc1ccc(cc1Br)I 766b9550908ac908a4a7c4005b95c575 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.69 FCCOc1ccc(cc1Cl)Cl 63af860a50b5eccdfa468bd202e88eb1 [0,2,0,0,0,0|2,0,0]=4 3544 B12R1.69 FCCOc1ccc(cc1Cl)F 231eca52a7bc12c13cd0a21062c6a14d [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.69 FCCOc1ccc(cc1Cl)I 70d03d7455307a05ee5eceb461873541 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.69 FCCOc1ccc(cc1F)Br ca9f6486f0f5693dcfa00b208cd14ec2 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.69 FCCOc1ccc(cc1F)Cl ce039655357ffa8417422ee2e1da5a92 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.69 FCCOc1ccc(cc1F)F 4e5249435ae179206451371b850db7b2 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.69 FCCOc1ccc(cc1F)I 1c2d73631ac4985e91539641b079f370 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.69 FCCOc1ccc(cc1I)Br 5fc611cad40980939cc87487db87b57b [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.69 FCCOc1ccc(cc1I)Cl 1fd9dfdcbb0dd1e3c6c129a1283c270e [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.69 FCCOc1ccc(cc1I)F 141f6a99fd96afc1b29420a17d39c603 [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.69 FCCOc1ccc(cc1I)I d5560fd965a16534566da95930ae14bb [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.69 FCNCc1ccc(cc1Br)Cl a1c18aed2e14de97d089bce921fd0cef [0,2,0,0,0,0|2,0,0]=4 3555 B12R1.69 FCNCc1ccc(cc1Cl)Br d93c008e6fa718ba2cb734b168d40e76 [0,2,0,0,0,0|2,0,0]=4 3556 B12R1.69 FCNCc1ccc(cc1Cl)Cl 9d9861e2210e6d61ee37c148ba32c6ff [0,2,0,0,0,0|2,0,0]=4 3557 B12R1.69 FCNCc1ccc(cc1Cl)F 3823f2e14acad225f1b3dc2b9cff34c6 [0,2,0,0,0,0|2,0,0]=4 3558 B12R1.69 FCNCc1ccc(cc1F)Br b3e56780b363d5e05324326f954f1dff [0,2,0,0,0,0|2,0,0]=4 3559 B12R1.69 FCNCc1ccc(cc1F)Cl 30eb5f60929d9b299a5e63350f51beec [0,2,0,0,0,0|2,0,0]=4 3560 B12R1.69 FCNCc1ccc(cc1F)F 60d3d5dbd03eff6a3976d9b3ef1947af [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.69 FCNCc1ccc(cc1F)I c419f84e1399f281ee8a214375400787 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.69 FCNCc1ccc(cc1I)Br 73a65bbda60f49ad560e59ac72efd53c [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.69 FCOCc1ccc(cc1Br)Br e6847260844b7bd2f20d9a15005dbaa7 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.69 FCOCc1ccc(cc1Br)Cl 247acecda2b495726a369470978a673f [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.69 FCOCc1ccc(cc1Br)F 4ae58c94f2a3294582ccf8e024eed58d [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.69 FCOCc1ccc(cc1Br)I 649fdf3952ff83b54271f12cf95e3257 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.69 FCOCc1ccc(cc1Cl)Br 3d893435350f37f901d704656e99b33a [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.69 FCOCc1ccc(cc1Cl)Cl f0b0be088ee9946af64fab58cbf393a9 [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.69 FCOCc1ccc(cc1Cl)F bd9a31228191960a5997f499c07f6796 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.69 FCOCc1ccc(cc1Cl)I eb124e6cb39cdc814403db7a8d41d5cd [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.69 FCOCc1ccc(cc1F)Br db6f0af756d2d876b785626a9a009383 [0,2,0,0,0,0|2,0,0]=4 3572 B12R1.69 FCOCc1ccc(cc1F)Cl 073531e6f62c610cc0b602ee3629f003 [0,2,0,0,0,0|2,0,0]=4 3573 B12R1.69 FCOCc1ccc(cc1F)F 077c26cc8aefa352cf34e5060b42da9b [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.69 FCOCc1ccc(cc1F)I 9e19f05b0160f806cecbc7c2c5a4ecd2 [0,2,0,0,0,0|2,0,0]=4 3575 B12R1.69 FCOCc1ccc(cc1I)Br 6c1f6f8b1a280902c3f720ef677171d2 [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.69 FCOCc1ccc(cc1I)Cl b43e88855e53ef46721e9eb5b93ca818 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.69 FCOCc1ccc(cc1I)F 67d823ed242796a539297360fffa739e [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.69 Fc1cc(ccc1NCCS)Br c8d4e573c6f137a3cee55cef2ed2571d [0,2,0,0,0,0|1,1,0]=4 3579 B12R1.69 Fc1cc(ccc1NCCS)Cl 8301cf570fcb8c2775af79278643f2d4 [0,2,0,0,0,0|1,1,0]=4 3580 B12R1.69 Fc1cc(ccc1NCCS)I 6d6c4b8dc03a458970a6dd6d14eb1a0e [0,2,0,0,0,0|1,1,0]=4 3581 B12R1.69 Fc1cc(ccc1NCCS)S 6a8351dbff457b3040f2568a86342439 [0,2,0,0,0,0|1,1,0]=4 3582 B12R1.69 Fc1cc(ccc1OCCS)Br 9adad4577a24db020bdf5df9fcf4f9d6 [0,2,0,0,0,0|1,1,0]=4 3583 B12R1.69 Fc1cc(ccc1OCCS)Cl aa6aa87a549fc7f649fd0eb2d6601d9a [0,2,0,0,0,0|1,1,0]=4 3584 B12R1.69 Fc1cc(ccc1OCCS)I 468a53654960dfec94e8652c4d9b9c8a [0,2,0,0,0,0|1,1,0]=4 3585 B12R1.69 Fc1ccc(c(c1)Br)NCCS 297a5c93146d6f7b1c45b998b9cbe287 [0,2,0,0,0,0|1,1,0]=4 3586 B12R1.69 Fc1ccc(c(c1)Br)OCCS ee917900e5c14b9e4a3438855b9430d7 [0,2,0,0,0,0|1,1,0]=4 3587 B12R1.69 Fc1ccc(c(c1)Cl)NCCS 7c1120a9a831372ed7aa01a0a036da11 [0,2,0,0,0,0|1,1,0]=4 3588 B12R1.69 Fc1ccc(c(c1)Cl)OCCS f08b1a56fc81356b63e5dcf4a1c72027 [0,2,0,0,0,0|1,1,0]=4 3589 B12R1.69 Fc1ccc(c(c1)F)NCCS 12bb79b707be756935b21dc65848fa85 [0,2,0,0,0,0|1,1,0]=4 3590 B12R1.69 Fc1ccc(c(c1)F)OCCS adcbd39e4a41fbc215bb6136fc8651e8 [0,2,0,0,0,0|1,1,0]=4 3591 B12R1.69 Fc1ccc(c(c1)I)NCCS 28c972de2c81f7ed724e65957061c944 [0,2,0,0,0,0|1,1,0]=4 3592 B12R1.69 Fc1ccc(c(c1)I)OCCS b1c4c0f663be49b8233bef5ff94b8052 [0,2,0,0,0,0|1,1,0]=4 3593 B12R1.69 Fc1ccc(c(c1)S)NCCS 2b27a348f235d9872f1fa2b5ff3d2e34 [0,2,0,0,0,0|1,1,0]=4 3594 B12R1.69 Nc1cc(c(cn1)NCCO)N 0cac6790fb23022badd2e579084f3227 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.69 Nc1ccc(c(c1)N)NCCBr c48caef2f38b3fa3a02bee489b524917 [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.69 Nc1ccc(c(c1)N)NCCI 657999b2a364637603d0a0a9c8de5fbd [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.69 Nc1ccc(c(c1)N)NCCO 634f2953efbcee3ec71d3a26dca7a1f7 [0,2,0,0,0,0|1,0,0]=3 3598 B12R1.69 Nc1ccc(c(c1)N)NCCS 9dca343e4a21c942c722120a8d96e7b2 [0,2,0,0,0,0|1,1,0]=4 3599 B12R1.69 Nc1ccc(c(n1)N)NCCO 6643f842e61fef1ea83f231950149bcf [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.69 Nc1cnc(c(c1)N)NCCO b2dd5f1809a79a70a78242e5476f9f4e [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.69 O=c1ccc(c([nH]1)Cl)NCCO 1341672dbdbe0a60735edd387d46ab86 [0,2,0,0,0,0|2,0,0]=4 3602 B12R1.69 OCCNc1ccc([nH]c1=S)Cl a1399a428b80bbada8a07a431cb7df6f [0,2,0,0,0,0|2,0,0]=4 3603 B12R1.69 OCCNc1ccc(cc1Br)Cl 1db326e83d322bad975ebfe24c3e6761 [0,2,0,0,0,0|1,0,0]=3 3604 B12R1.69 OCCNc1ccc(cc1Br)F 469080ce9a3110cad85f3a641d3b9150 [0,2,0,0,0,0|1,0,0]=3 3605 B12R1.69 OCCNc1ccc(cc1Br)I c5b34773b3f6f06e3a4cf5b661b8cfec [0,2,0,0,0,0|1,0,0]=3 3606 B12R1.69 OCCNc1ccc(cc1Cl)Br 960865129a5f225dcb4c5005d9660c62 [0,2,0,0,0,0|1,0,0]=3 3607 B12R1.69 OCCNc1ccc(cc1Cl)Cl 856f654279ad3dab7468e46e8f7fb145 [0,2,0,0,0,0|1,0,0]=3 3608 B12R1.69 OCCNc1ccc(cc1Cl)F e7a80f244920a9dea2230a1fe98040a5 [0,2,0,0,0,0|1,0,0]=3 3609 B12R1.69 OCCNc1ccc(cc1Cl)I d65f60e013785188645a3748bccb6205 [0,2,0,0,0,0|1,0,0]=3 3610 B12R1.69 OCCNc1ccc(cc1F)Cl 671e6720e8e652510dbd916d040d85e5 [0,2,0,0,0,0|1,0,0]=3 3611 B12R1.69 OCCNc1ccc(cc1F)F 11680f671a9f1a1bcdb00cc44130a7d0 [0,2,0,0,0,0|1,0,0]=3 3612 B12R1.69 OCCNc1ccc(cc1F)I 084916f8f01f5c06e8062ede96ebecac [0,2,0,0,0,0|1,0,0]=3 3613 B12R1.69 OCCNc1ccc(cc1I)Br c999c13f1f022f9c2944a44a38ad5337 [0,2,0,0,0,0|1,0,0]=3 3614 B12R1.69 OCCNc1ccc(cc1I)Cl 9bb4d38116e4895fcd1ca7ef593da60d [0,2,0,0,0,0|1,0,0]=3 3615 B12R1.69 OCCNc1ccc(cc1I)F b87055982a39b71c54621bc41d490449 [0,2,0,0,0,0|1,0,0]=3 3616 B12R1.69 OCCNc1ccc(cc1I)I 447efd45c0f4a4a0639a2b7662c66689 [0,2,0,0,0,0|1,0,0]=3 3617 B12R1.69 OCCNc1ccc(cc1S)Br 97964a53dc60524b5878fd6adb38a238 [0,2,0,0,0,0|1,0,0]=3 3618 B12R1.69 OCCNc1ccc(cc1S)Cl 25cb252d8d2eb00070206db6dcded36e [0,2,0,0,0,0|1,0,0]=3 3619 B12R1.69 OCCNc1ccc(cc1S)F 12e980aa7c612549ac475ca0c4fdd829 [0,2,0,0,0,0|1,0,0]=3 3620 B12R1.69 OCCNc1ccc(nc1Br)Br 2a998e1c90c5f3090cc62c288ca3c9f5 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.69 OCCNc1ccc(nc1Br)Cl 4474b14df5a65c4c9cdca1b4192f421b [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.69 OCCNc1ccc(nc1Cl)Br 8bfe9d7ba506a8505b180dc44a6ddba9 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.69 OCCNc1ccc(nc1Cl)Cl c729b6bb72e579290295a10e87c51aaf [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.69 OCCNc1ccc(nc1Cl)F c756ba87def3ede86657f5a0f2729f70 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.69 OCCNc1ccc(nc1Cl)I dd3b67d5914601b72c2ba8e4301edbfa [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.69 OCCNc1ccc(nc1F)Br fb26c004b86429765ac9a6db996f9fed [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.69 OCCNc1ccc(nc1F)Cl faaec26a552ade1b2821dab9e0e74b3b [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.69 OCCNc1ccc(nc1F)F 8eb2ef630293cdff3f0bd74849c0c963 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.69 OCCNc1ccc(nc1F)I 6575c33f1d6cf6a4635d0afcd50b131a [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.69 OCCNc1ccc(nc1I)Br 964c84ed498589cf19d7aa90c255bef6 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.69 OCCNc1ccc(nc1I)I 8fad30263807918ba9fed16e1150485f [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.69 OCCNc1cnc(cc1Br)Br 427240898bf6b81f21476a4db204d3cb [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.69 OCCNc1cnc(cc1Br)Cl a4ab028692989ec32070692b6e843026 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.69 OCCNc1cnc(cc1Cl)Br 77b7ecfff090102eb50069323e608ed9 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.69 OCCNc1cnc(cc1Cl)Cl 2277603932ad0f1b64ce877411c29a7b [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.69 OCCNc1cnc(cc1F)Cl 1cd3f2706dda9d22ac31f88a5883f66f [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.69 OCCNc1cnc(cc1F)F 7f4197f389c6d0f8e9df1f32f329aaa0 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.69 OCCNc1cnc(cc1I)Br d17c2fe7e5292d75d44b3e6e5a85def0 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.69 OCCNc1cnc(cc1I)Cl 071afdb722cbd944447071df5e378e1f [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.69 OCCNc1ncc(cc1Br)Br 08453e2a1381d3905476be13e024b789 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.69 OCCNc1ncc(cc1Br)Cl 0189db803503ca6e463213ee7a5fbfbb [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.69 OCCNc1ncc(cc1Br)F cd61bfa3eb40357d2c8f2e69e4fa250f [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.69 OCCNc1ncc(cc1Br)I 73d2b05eed4cbb8eb5aa02da93ce352d [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.69 OCCNc1ncc(cc1Cl)Br 7d30361d71f82565a6949ff0207a9b48 [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.69 OCCNc1ncc(cc1Cl)Cl 173d818873831bfdd34bcea64c635334 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.69 OCCNc1ncc(cc1Cl)F 51770589ac1f1b25d5ef841144732ecd [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.69 OCCNc1ncc(cc1Cl)I 0a4c5d8b2e854e34fcb56ac522ed647b [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.69 OCCNc1ncc(cc1F)Br abcbdb0988697b15ec5d69725f976b06 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.69 OCCNc1ncc(cc1F)Cl a6b1859813b7b3cac8d485d865916af7 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.69 OCCNc1ncc(cc1F)F 0fa058546c677cabac3cd844bc4c9d86 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.69 OCCNc1ncc(cc1F)I 0ef05478df359dec055981168b692d93 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.69 OCCNc1ncc(cc1I)Br 289ac0cc8f19db01cc530eca5f85bd35 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.69 OCCNc1ncc(cc1I)Cl 739a5f8f9977bc1b7fa79b1bd01e4bf7 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.69 OCCNc1ncc(cc1I)F 17d822f0e59fbd7ce71567dca6a60318 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.69 OCCNc1ncc(cc1I)I 673ab00e1cb455c7279834b48c574270 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.69 OCNCc1ccc(cc1Br)Cl 815c9a70e286cde88295a55c9f805913 [0,2,0,0,0,0|1,0,0]=3 3657 B12R1.69 OCNCc1ccc(cc1Br)F 9267ce581868318934da537d19738847 [0,2,0,0,0,0|1,0,0]=3 3658 B12R1.69 OCNCc1ccc(cc1Cl)Br 69a1c66dc3fc6cbee4f7f1ca279db716 [0,2,0,0,0,0|1,0,0]=3 3659 B12R1.69 OCNCc1ccc(cc1Cl)Cl 4a1069f2b52cf5e3f1817f20965e1903 [0,2,0,0,0,0|1,0,0]=3 3660 B12R1.69 OCNCc1ccc(cc1Cl)F b5982956c4c70e23546c88ab9fd70851 [0,2,0,0,0,0|1,0,0]=3 3661 B12R1.69 OCNCc1ccc(cc1F)Br 386ffe38e08cad461a1f56970b5add82 [0,2,0,0,0,0|1,0,0]=3 3662 B12R1.69 OCNCc1ccc(cc1F)Cl 114861e1ea1d42ed13738664faec901a [0,2,0,0,0,0|1,0,0]=3 3663 B12R1.69 OCNCc1ccc(cc1F)F c55cc56b5ff1e4e6279d18f968748b4d [0,2,0,0,0,0|1,0,0]=3 3664 B12R1.69 OCNCc1ccc(cc1F)I 7d2377794a0c7e5ffa504941e9d9e161 [0,2,0,0,0,0|1,0,0]=3 3665 B12R1.69 OCNCc1ccc(cc1I)Br 464a81a2d0274b9ca3bec8a1b3904757 [0,2,0,0,0,0|1,0,0]=3 3666 B12R1.69 OCNCc1ccc(nc1Cl)Br d13d837f92c3e677099145c1388051dd [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.69 OCNCc1ncc(cc1Cl)Cl b8de1d552c91a5aea39d52c81d677444 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.69 OCNCc1ncc(cc1Cl)F 1859ee2c15d37b429668b75585a0960e [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.69 OCNCc1ncc(cc1F)Br ec5d655bb542460b12daafebed518eaf [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.69 OCNCc1ncc(cc1F)F 3f3dceeff98caf92957ab95c84c06461 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.69 SCCNc1ccc(cc1Br)Cl 775267c32883bd1ed5d484e3dd23648e [0,2,0,0,0,0|1,1,0]=4 3672 B12R1.69 SCCNc1ccc(cc1Br)I 65065cdbc39097463f8bc5fb2451d86a [0,2,0,0,0,0|1,1,0]=4 3673 B12R1.69 SCCNc1ccc(cc1Cl)Br 9f75308acc2188e2f5846dee9810d2cf [0,2,0,0,0,0|1,1,0]=4 3674 B12R1.69 SCCNc1ccc(cc1Cl)Cl 47eace9bafc063ca6775b60757c9b22d [0,2,0,0,0,0|1,1,0]=4 3675 B12R1.69 SCCNc1ccc(cc1Cl)I d92bf0fb0e67df6eeca9931eeeacec74 [0,2,0,0,0,0|1,1,0]=4 3676 B12R1.69 SCCNc1ccc(cc1I)Br 250b6bad13b895c1f8a42a9e6b1f48c1 [0,2,0,0,0,0|1,1,0]=4 3677 B12R1.69 SCCNc1ccc(cc1I)Cl 6d030857aac4cfe179868ea09bf9f2f9 [0,2,0,0,0,0|1,1,0]=4 3678 B12R1.69 SCCNc1ccc(cc1I)I c34322225f5b9849024f56f0b2695a86 [0,2,0,0,0,0|1,1,0]=4 3679 B12R1.69 SCCNc1ccc(cc1S)Br f0c6c9ad4a75d9ef5abcb89883c4129b [0,2,0,0,0,0|1,1,0]=4 3680 B12R1.69 SCCNc1ccc(cc1S)Cl c6e17b8951dbae5f880b52347b69a607 [0,2,0,0,0,0|1,1,0]=4 3681 B12R1.69 SCCOc1ccc(cc1Br)Br 506233c67a259db492ff7f75779ef082 [0,2,0,0,0,0|1,1,0]=4 3682 B12R1.69 SCCOc1ccc(cc1Br)Cl e9790364cf53df776796f047b412be68 [0,2,0,0,0,0|1,1,0]=4 3683 B12R1.69 SCCOc1ccc(cc1Br)I 65215750e7f4a8084da3c44c7a2e5547 [0,2,0,0,0,0|1,1,0]=4 3684 B12R1.69 SCCOc1ccc(cc1Cl)Br a7d524f3d0a66c635f95282e4e4219dc [0,2,0,0,0,0|1,1,0]=4 3685 B12R1.69 SCCOc1ccc(cc1Cl)Cl 57a11c18874f9ca68221541a761bb2b8 [0,2,0,0,0,0|1,1,0]=4 3686 B12R1.69 SCCOc1ccc(cc1Cl)I c9847b3dd944ea140390a682d549ad46 [0,2,0,0,0,0|1,1,0]=4 3687 B12R1.69 SCCOc1ccc(cc1I)Br 821ec2f13382b0a6d10c2a88f63e525e [0,2,0,0,0,0|1,1,0]=4 3688 B12R1.69 SCCOc1ccc(cc1I)Cl 4f36eecc5d08c865b8e2c637b26a02a9 [0,2,0,0,0,0|1,1,0]=4 3689 B12R1.69 SCCOc1ccc(cc1I)I 609f61b3986bcb195cca9f14218e71f4 [0,2,0,0,0,0|1,1,0]=4 3690 B12R1.69 [O-][n+]1cc(ccc1NCCO)F b53745e9278700eafe8a02f1527fd68e [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.71 C#Cc1ccc(cc1)CNCC acc607984157ec81c8ea429f261669f7 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.71 C#Cc1ccc(cc1)CNCF 9c6f998faeb37f97d269d057916d1bc4 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.71 C#Cc1ccc(cc1)CNCO f9bad6c2828b67eb2a94c7c04d7afe72 [0,2,0,0,0,0|1,0,0]=3 3694 B12R1.71 C#Cc1ccc(cc1)COCC 6230cf57368c1296ff15e77e9a34441e [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.71 C#Cc1ccc(cc1)COCF e957908427960b2db635360d63f96974 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.71 C#Cc1ccc(cc1)NCCC fc9cf895565fa4232c2247830c975af6 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.71 C#Cc1ccc(cc1)NCCF 0216074e1f87df0e609b9b9371eb4088 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.71 C#Cc1ccc(cc1)NCCO 6864288a8944c1dcd65fcf8c5c515a0f [0,2,0,0,0,0|1,0,0]=3 3699 B12R1.71 C#Cc1ccc(cc1)NCCS 4a20beb128d011d955b5d868503912e9 [0,2,0,0,0,0|1,1,0]=4 3700 B12R1.71 C#Cc1ccc(cc1)OCCC 729d9bda0f3fb9c155366dcf1c6fe091 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.71 C#Cc1ccc(cc1)OCCF 3cc45db4b63be0ad3c2cdf1a30c3db31 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.71 C#Cc1ccc(cc1)OCCS c668a1e8e2102b883e40f98321e0a55e [0,2,0,0,0,0|1,1,0]=4 3703 B12R1.71 C#Cc1ccc(cn1)NCCO 468d3f10a44ddfd830c9cf687e24d8d6 [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.71 C#Cc1ccc(nc1)NCCO 875bdd649554d719b59e28ad3b605a9a [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.71 C=Cc1ccc(cc1)CNCC 8d26f36a09ed6bc1769933ec92c07439 [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.71 C=Cc1ccc(cc1)CNCF 63a5b17e7442bdc3a05c7188cf9e23e1 [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.71 C=Cc1ccc(cc1)CNCO 326767c21a5bb3b7de832c31b7eb1a60 [0,2,0,0,0,0|1,0,0]=3 3708 B12R1.71 C=Cc1ccc(cc1)COCC 753e5692cf814e398fcce6513d26c7c7 [0,2,0,0,0,0|2,0,0]=4 3709 B12R1.71 C=Cc1ccc(cc1)COCF 9b202ff7fbff44fe3c09533e95783efe [0,2,0,0,0,0|2,0,0]=4 3710 B12R1.71 C=Cc1ccc(cc1)NCCC bea20e9a07d5c53108eb0f03c06182e1 [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.71 C=Cc1ccc(cc1)NCCF b451124631500ffd8056ce3b2963f391 [0,2,0,0,0,0|2,0,0]=4 3712 B12R1.71 C=Cc1ccc(cc1)NCCI 47aed2912b32575a2482c77c36e2e683 [0,2,0,0,0,0|2,0,0]=4 3713 B12R1.71 C=Cc1ccc(cc1)NCCO ca4c13f45ac429eaa817deeb315ffa6b [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.71 C=Cc1ccc(cc1)NCCS 508865847b6238736635cf8fdf646ce2 [0,2,0,0,0,0|1,1,0]=4 3715 B12R1.71 C=Cc1ccc(cc1)OCCC 9289590995132c233aa3a872f79777ec [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.71 C=Cc1ccc(cc1)OCCF e66d9ae27466b417384c4aff817bd5ea [0,2,0,0,0,0|2,0,0]=4 3717 B12R1.71 C=Cc1ccc(cc1)OCCS 952a32d0a5ef3d4321d5171b40617b2f [0,2,0,0,0,0|1,1,0]=4 3718 B12R1.71 C=Cc1ccc(cn1)NCCO 638f619c9deef436b391dda2a9200d73 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.71 C=Cc1ccc(nc1)NCCO c497342828efb78564900ad073185e1f [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.71 CCCNc1ccc(cc1)C#N c413f0c8235d8b24b660a942fae94e8f [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.71 CCCNc1ccc(cc1)C=O 9dbf29157f416c2cfd25aa5f07560af2 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.71 CCCNc1ccc(cc1)CC 18681bd5a077639e070315f9c5ead6bc [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.71 CCCNc1ccc(cc1)CO ceb468625b15ce9adcfaf637f5d6e68b [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.71 CCCNc1ccc(cc1)NO 3dd6caa0f914c4ac2accf62bc38f2152 [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.71 CCCNc1ccc(cc1)OC 5ef38f04471b6d41619c77104109b7a1 [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.71 CCCNc1ccc(cc1)SC 5c3d3acd85641d2bc8849fea33561964 [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.71 CCCOc1ccc(cc1)C#N 9ef65dc47341dcbe9f84aab2fa134c88 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.71 CCCOc1ccc(cc1)C=O 4e37ed969b2e2dc144113d7cf8381fcd [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.71 CCCOc1ccc(cc1)CC 96cca871d75f432ff4ca383a1c75e964 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.71 CCCOc1ccc(cc1)N=O e5113a838ca97c8bc7158f76255bd3fe [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.71 CCCOc1ccc(cc1)OC 0b61816165283f1506ed44c74ecbaebe [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.71 CCCOc1ccc(cc1)SC 479b0a3cc96ea63a2a5a2a1f41d91b56 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.71 CCNCc1ccc(cc1)C#N f12d5ea6f09c7c059e4c3dbf14cb481a [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.71 CCNCc1ccc(cc1)CBr becc461d015ad0df61a5c76d19f314f5 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.71 CCNCc1ccc(cc1)CC 3e2fb788aa7dc44753168a8243395fdd [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.71 CCNCc1ccc(cc1)CO dcae13b21c0d781c4ec79c5c7375f026 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.71 CCNCc1ccc(cc1)OC 590310c69085c3b6b7de5eeac9230511 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.71 CCNCc1ccc(cc1)SC 00ccf471bad170335d0bab0647cf5701 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.71 CCOCc1ccc(cc1)C#N 3373887eb6a965dda8a3f3e05b72ab37 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.71 CCOCc1ccc(cc1)C=O 63f61c534301d2fb19296914e9ec3a98 [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.71 CCOCc1ccc(cc1)CC 45f72f0a0f8fb8243e54c5aac869cd85 [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.71 CCOCc1ccc(cc1)OC d60caff2ba93c5dc9ab4d399fa52aa3c [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.71 CCOCc1ccc(cc1)SC 5e8be0892a30f0c5353894e85ab5ba9b [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.71 CCc1ccc(cc1)CNCF 37970714a8bf06b00feb4badc19d2ca3 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.71 CCc1ccc(cc1)CNCO d6ef08e38bce48d4f302ca698d60897e [0,2,0,0,0,0|1,0,0]=3 3746 B12R1.71 CCc1ccc(cc1)COCF 476622ea5ff8c5f296595de9335a942b [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.71 CCc1ccc(cc1)NCCF d86db07219c9f0e04813cc2f3408d376 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.71 CCc1ccc(cc1)NCCI 3fe2560c39fed59a074fbd198ccd561e [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.71 CCc1ccc(cc1)NCCO 59bb3be9e4823d1abaf1b030f05f44ce [0,2,0,0,0,0|1,0,0]=3 3750 B12R1.71 CCc1ccc(cc1)NCCS b60d8f6f2f663a12d96ae8122add0901 [0,2,0,0,0,0|1,1,0]=4 3751 B12R1.71 CCc1ccc(cc1)OCCF 44bec342bc60a7bc9354f50855d4a229 [0,2,0,0,0,0|2,0,0]=4 3752 B12R1.71 CCc1ccc(cc1)OCCS e9c088276447c7262f9a23be1cd2c9c9 [0,2,0,0,0,0|1,1,0]=4 3753 B12R1.71 CCc1ccc(cn1)NCCO 06afcce901461794a5d3553a78f89729 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.71 CCc1ccc(nc1)NCCO e5056082c2824dad453c566b24d9e962 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.71 COc1ccc(cc1)CNCF 32afdbf27d7dd3bfaba3889838097e52 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.71 COc1ccc(cc1)CNCO 020083af321719f38499e8685d6c62a9 [0,2,0,0,0,0|1,0,0]=3 3757 B12R1.71 COc1ccc(cc1)COCF 9616b61606be277168d66d79c532c507 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.71 COc1ccc(cc1)NCCF 8fee6635ccf1dd054d69e37a582bba86 [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.71 COc1ccc(cc1)NCCO b2b0da7e24a1ad0b5cbc5b972ddd499d [0,2,0,0,0,0|1,0,0]=3 3760 B12R1.71 COc1ccc(cc1)NCCS 872cf7e11a4e185989cb4e3369d7cc0e [0,2,0,0,0,0|1,1,0]=4 3761 B12R1.71 COc1ccc(cc1)OCCF 0a2978e5f767018b19b099c16da15a7d [0,2,0,0,0,0|2,0,0]=4 3762 B12R1.71 COc1ccc(cc1)OCCS c30044f3949cc33089abd838394b764c [0,2,0,0,0,0|1,1,0]=4 3763 B12R1.71 COc1ccc(cn1)CNCO 0e439e3d6df65720ab3bdb5a404a423f [0,2,0,0,0,0|2,0,0]=4 3764 B12R1.71 COc1ccc(cn1)NCCO 366eee6ed8dd48c8de2e7e93900399df [0,2,0,0,0,0|2,0,0]=4 3765 B12R1.71 COc1ccc(nc1)CNCO 93a2b0ffbacc7892fdb7d791e2b27864 [0,2,0,0,0,0|2,0,0]=4 3766 B12R1.71 COc1ccc(nc1)NCCO 6b19132e7f011ffae901f3713120c8ac [0,2,0,0,0,0|2,0,0]=4 3767 B12R1.71 CSc1ccc(cc1)CNCF b9c9030359fa2f8c1fde2587c7cc2219 [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.71 CSc1ccc(cc1)CNCO 21c910e00e59dfce91d7cb8102e1f3e3 [0,2,0,0,0,0|1,0,0]=3 3769 B12R1.71 CSc1ccc(cc1)COCF b51b996d52859efd05a68377ee66dfc3 [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.71 CSc1ccc(cc1)NCCF 9464510ed505128eb206302d2b26e956 [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.71 CSc1ccc(cc1)NCCO 478295d89feae03334547871f0d6050c [0,2,0,0,0,0|1,0,0]=3 3772 B12R1.71 CSc1ccc(cc1)NCCS 683171aa02bb4a901643cd8dc7a2cb9f [0,2,0,0,0,0|1,1,0]=4 3773 B12R1.71 CSc1ccc(cc1)OCCF 42d04b528d48174fa03ed012f3d659a7 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.71 CSc1ccc(cc1)OCCS b094c235c79999c9e17b0cf74c010571 [0,2,0,0,0,0|1,1,0]=4 3775 B12R1.71 CSc1ccc(cn1)NCCO bae90f07cdc614118a03c24aabba226d [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.71 CSc1ccc(nc1)NCCO 30d288df20ac80d95316af1bf52896a9 [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.71 FCNCc1ccc(cc1)CBr af6bf5b2baed295b176ec1e4c522893c [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.71 FCc1ccc(cc1)NCCS 65f87ad2cad6caac71fca2cab443b29c [0,2,0,0,0,0|1,1,0]=4 3779 B12R1.71 N#Cc1ccc(cc1)CNCF 643bdb4fc730a0a55ea9b032ee167f60 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.71 N#Cc1ccc(cc1)CNCO f733af124537525092c09e9c21692920 [0,2,0,0,0,0|1,0,0]=3 3781 B12R1.71 N#Cc1ccc(cc1)COCF 67559847288e49c2b05838ed9193791b [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.71 N#Cc1ccc(cc1)NCCF caf5fd0ea9cb94c7c25b67d46d1a40c6 [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.71 N#Cc1ccc(cc1)NCCO 7880b39acbf6bfe6fb61c5ce82df1a73 [0,2,0,0,0,0|1,0,0]=3 3784 B12R1.71 N#Cc1ccc(cc1)NCCS a2d06994e1a13704715f82c2ef074731 [0,2,0,0,0,0|1,1,0]=4 3785 B12R1.71 N#Cc1ccc(cc1)OCCF 18c382f3ee4a808c31820235b31e2b40 [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.71 N#Cc1ccc(cc1)OCCS 864645f4d4cfc4f4d0ae7d84d2f2b8ef [0,2,0,0,0,0|1,1,0]=4 3787 B12R1.71 N#Cc1ccc(cn1)CNCO 82d33aa10157532581291aaa0d0248bb [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.71 N#Cc1ccc(cn1)NCCO 596379adbddb02aeea968410f3cadc71 [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.71 N#Cc1ccc(nc1)NCCO 31836f806acd6f9069fb938980e45537 [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.71 O=Cc1ccc(cc1)COCF 2fed82879f2effc5bed1bb1ecaec03ef [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.71 O=Cc1ccc(cc1)NCCF 022e072816ba23b7b7dafb833917e94f [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.71 O=Cc1ccc(cc1)NCCO 5a79e9d64e8d05bc2ceaff4bad6f99dc [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.71 O=Cc1ccc(cc1)NCCS 32d31e8953c0737facb3e2f1515c2587 [0,2,0,0,0,0|1,1,0]=4 3794 B12R1.71 O=Cc1ccc(cc1)OCCF d88859339eeb41baa516f278ae1ceb0e [0,2,0,0,0,0|2,0,0]=4 3795 B12R1.71 O=Cc1ccc(cc1)OCCS 36b8ef3998b367449430d6d253a8559f [0,2,0,0,0,0|1,1,0]=4 3796 B12R1.71 O=Cc1ccc(cn1)NCCO 5d6199fb7e3b9079a0ac05630108fbdf [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.71 O=Cc1ccc(nc1)NCCO 47cc30807a43c984f4730993b934c327 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.71 O=Nc1ccc(cc1)OCCF 55786ce9cdd9bfffb651f48a4eb5deb2 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.71 O=Nc1ccc(cc1)OCCS f3c4096b9020ad0b1d93d5d584318a79 [0,2,0,0,0,0|1,1,0]=4 3800 B12R1.71 OCCNc1ccc(cc1)CO c903351b0ccbc905223fc1306554066f [0,2,0,0,0,0|1,0,0]=3 3801 B12R1.71 OCCNc1ccc(cc1)NO aedc91f1a71b256bdd0f2c8e7b163ac1 [0,2,0,0,0,0|1,0,0]=3 3802 B12R1.71 OCCNc1ccc(cn1)CCl 1f1418a00943ef4e4ed8f25f3a35a214 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.71 OCCNc1ccc(cn1)CO 66d801232e2782e91a45748041823d43 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.71 OCCNc1ccc(nc1)CO 13f3faa9e4d911c5b84fee76ce77be09 [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.71 OCNCc1ccc(cc1)CBr 775c3a84add9f73bdaed8c36ad56a2fa [0,2,0,0,0,0|1,0,0]=3 3806 B12R1.71 OCNCc1ccc(cc1)CO ab7772b5724a111aac3e4bb689bb54af [0,2,0,0,0,0|1,0,0]=3 3807 B12R1.71 OCNCc1ccc(nc1)CO 87a196f329cc4267cbf32d3e5adac6e0 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.71 OCc1ccc(cc1)CNCF 81ee8cabddc5d665b6e28d581fb31939 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.71 OCc1ccc(cc1)NCCF 46433f593b274de4c65fdc6b5c59cbe7 [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.71 OCc1ccc(cc1)NCCS 7069bfbd0cba19875e4f5dce90cf80dc [0,2,0,0,0,0|1,1,0]=4 3811 B12R1.71 ONc1ccc(cc1)NCCS 2234315261dfd8daf379292d763af9aa [0,2,0,0,0,0|1,1,0]=4 3812 B12R1.71 SCCNc1ccc(cc1)CS 5fe0859c81872094cc44e50748fd441a [0,2,0,0,0,0|1,1,0]=4 3813 B12R1.385 CCCNc1ccc(c(c1)Br)Br 1a4ee9ed75f664dee16cd0fa089b3e9d [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.385 CCCNc1ccc(c(c1)Br)C f5cef5bbce7741574f6d264160f19bf3 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.385 CCCNc1ccc(c(c1)Br)Cl 359854cb6bc7fcf1a71435cbd26f68a6 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.385 CCCNc1ccc(c(c1)Br)F fd5dd849171e756d6fbcaae51f0a18b0 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.385 CCCNc1ccc(c(c1)Br)I 7e979608bfec13c33a47cc100b5ea102 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.385 CCCNc1ccc(c(c1)C)Br 416afcc27d6f89759014bfddb3edfe3c [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.385 CCCNc1ccc(c(c1)C)C cec942672950516060b338813754df20 [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.385 CCCNc1ccc(c(c1)C)Cl c24d8bbc56f0114859be0f25291c33b1 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.385 CCCNc1ccc(c(c1)C)F 4474b6199931ce368b2bf4c0b3a9e619 [0,2,0,0,0,0|2,0,0]=4 3822 B12R1.385 CCCNc1ccc(c(c1)C)I d137f961cc596c336745487eb576e657 [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 07aabe1889e189164cf90997a54b4836 [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.385 CCCNc1ccc(c(c1)Cl)C 385aa6a8d853448d9f684c8d5c0a9116 [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.385 CCCNc1ccc(c(c1)Cl)Cl e8fcea03364941e8e857eb7dae153919 [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.385 CCCNc1ccc(c(c1)Cl)F 7e49251e191721132349250269c1b385 [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.385 CCCNc1ccc(c(c1)Cl)I 29173c3aa2121edbdab39b9ab0f989db [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.385 CCCNc1ccc(c(c1)F)C 95de3a1c33a4039f6ab8a25f2eb5277d [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.385 CCCNc1ccc(c(c1)F)Cl 3f67b5b4e0bc541e84bde18070fe9c39 [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.385 CCCNc1ccc(c(c1)F)F 0b299ff8ea313b46748a7675bf902d3d [0,2,0,0,0,0|2,0,0]=4 3831 B12R1.385 CCCNc1ccc(c(c1)F)I e5c040675d8d2491498e53b7af2cc940 [0,2,0,0,0,0|2,0,0]=4 3832 B12R1.385 CCCNc1ccc(c(c1)I)Br e877e9a527e2c6376cf5fc14abd22923 [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.385 CCCNc1ccc(c(c1)I)C e6e3e0bcaa6413beb50618a232f76e81 [0,2,0,0,0,0|2,0,0]=4 3834 B12R1.385 CCCNc1ccc(c(c1)I)Cl 6333ac0ab64ecd70b850f94e5120ca4e [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.385 CCCNc1ccc(c(c1)I)F 535a7e9678cd57d2c780784655d1eb95 [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.385 CCCNc1ccc(c(c1)N)N 78c496fd68f7d812e56242785df61ef5 [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.385 CCCOc1ccc(c(c1)Br)Br f4e0aa3b423c865a929a6b3ad04fba3e [0,2,0,0,0,0|2,0,0]=4 3838 B12R1.385 CCCOc1ccc(c(c1)Br)C be90cf996cef55d0bbb403ba954dd4d6 [0,2,0,0,0,0|2,0,0]=4 3839 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 61e2266f03e1b774767c6d6026ba3b38 [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.385 CCCOc1ccc(c(c1)Br)F 470ed444a142e8f47db2de4e663e77f6 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.385 CCCOc1ccc(c(c1)Br)I 0246363f83b6eed718493abc1eee1aaf [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.385 CCCOc1ccc(c(c1)C)Br ecee43cd74262f462ba66c530d2e1be9 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.385 CCCOc1ccc(c(c1)C)C 10021d0a5534b8943356fbce88dd5580 [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.385 CCCOc1ccc(c(c1)C)Cl eff83e2f6d2672cd80d67354a9af8888 [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.385 CCCOc1ccc(c(c1)C)F c98d6d8e17f4250f9c94c14cee04c6b2 [0,2,0,0,0,0|2,0,0]=4 3846 B12R1.385 CCCOc1ccc(c(c1)C)I 7a7bf0a71e92ec66cb613f5b68bf3248 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 20a940d163f93b56807228b3c3416f3a [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.385 CCCOc1ccc(c(c1)Cl)C 09e61306feb104e3321b52c3889f3471 [0,2,0,0,0,0|2,0,0]=4 3849 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl c225c8010e58d036b820222263085d13 [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.385 CCCOc1ccc(c(c1)Cl)F 482951cf136a5fa72f6e2331e3236776 [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.385 CCCOc1ccc(c(c1)Cl)I ef5e0efa10184270af8943aa1f85071c [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.385 CCCOc1ccc(c(c1)F)Br 52d993acadab42d07d3b1c728228a29b [0,2,0,0,0,0|2,0,0]=4 3853 B12R1.385 CCCOc1ccc(c(c1)F)C 7f9ead5d0c09eb6f7f3968fafba6cc12 [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.385 CCCOc1ccc(c(c1)F)Cl eaa49bed7f845885ed5854c9187356d1 [0,2,0,0,0,0|2,0,0]=4 3855 B12R1.385 CCCOc1ccc(c(c1)F)F a6504705dbe2c4ae585d33bf16ec4112 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.385 CCCOc1ccc(c(c1)F)I e32cecc5819db314871fae2cce5c238a [0,2,0,0,0,0|2,0,0]=4 3857 B12R1.385 CCCOc1ccc(c(c1)I)Br 0e40a2d7758738c345b91622f547f0fa [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.385 CCCOc1ccc(c(c1)I)C 03181646ca332185444a2803a4bd42b0 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.385 CCCOc1ccc(c(c1)I)Cl 1c01553ed4fd55b6ba75ec356a56d204 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.385 CCCOc1ccc(c(c1)I)F 588804843c1a498252cd620d8c8fc051 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.385 CCNCc1ccc(c(c1)Br)Br 972dcb5774ca4924c11baecb7b188183 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.385 CCNCc1ccc(c(c1)Br)C 75d3aff8bf63d78887cfad263b3d6a40 [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 6a879cbf59489e1f836ea07896f20266 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.385 CCNCc1ccc(c(c1)Br)F e9d19485f41d7f9fdcca53d7e78b5015 [0,2,0,0,0,0|2,0,0]=4 3865 B12R1.385 CCNCc1ccc(c(c1)C)Br 006bf53c6c0cafaa0d46b253c151eaa0 [0,2,0,0,0,0|2,0,0]=4 3866 B12R1.385 CCNCc1ccc(c(c1)C)C 92885f004ab5a01647443af529f8cf2c [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.385 CCNCc1ccc(c(c1)C)F 92dcbc54e71d2ef33d15c8b580eb2c43 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.385 CCNCc1ccc(c(c1)C)I 6aa6cd1c63d64345f6a9fa616cc4bca6 [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 65486e0dd3c30482aab9c223e40cf382 [0,2,0,0,0,0|2,0,0]=4 3870 B12R1.385 CCNCc1ccc(c(c1)Cl)C e89cbb4ef5eca53bc8abbc8a579c7f4c [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 4dffb7183027bf42c4477d5bafb60af5 [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.385 CCNCc1ccc(c(c1)Cl)F 0c5b603732ff5fa7ede3322c70d703c4 [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.385 CCNCc1ccc(c(c1)F)Br 2aab14d703f165e654330c3cdcdbebe0 [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.385 CCNCc1ccc(c(c1)F)C 38a44b9883b5f623c0199b254f568405 [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.385 CCNCc1ccc(c(c1)F)Cl de518cb82ddb52a142986117aea14d16 [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.385 CCNCc1ccc(c(c1)F)F 1a351b0d2da700a9dac72937f9a9030e [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.385 CCNCc1ccc(c(c1)F)I 5aa794ca67f25d271f178b93dee861a6 [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.385 CCOCc1ccc(c(c1)Br)Br 8fafbb377efb885871aed9a1878361ba [0,2,0,0,0,0|2,0,0]=4 3879 B12R1.385 CCOCc1ccc(c(c1)Br)C 3a2436bcef26745e4d84463180cf2453 [0,2,0,0,0,0|2,0,0]=4 3880 B12R1.385 CCOCc1ccc(c(c1)Br)Cl 7652e0e65cdcfff64b8cf1e8b20a39a6 [0,2,0,0,0,0|2,0,0]=4 3881 B12R1.385 CCOCc1ccc(c(c1)Br)F 50e94df7c8847b4ed3f7414d40b7f30b [0,2,0,0,0,0|2,0,0]=4 3882 B12R1.385 CCOCc1ccc(c(c1)Br)I 35764e8d82232dfaed396e9ac3cb2609 [0,2,0,0,0,0|2,0,0]=4 3883 B12R1.385 CCOCc1ccc(c(c1)C)Br d09b301ca35df40bd8476cf66c9eaaea [0,2,0,0,0,0|2,0,0]=4 3884 B12R1.385 CCOCc1ccc(c(c1)C)C f319fcec7cf829a7102e6b2360504093 [0,2,0,0,0,0|2,0,0]=4 3885 B12R1.385 CCOCc1ccc(c(c1)C)Cl 92fb642f96cc2d174fe3cdba94912e70 [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.385 CCOCc1ccc(c(c1)C)F d9545567324624cfffdcbfe571115ad0 [0,2,0,0,0,0|2,0,0]=4 3887 B12R1.385 CCOCc1ccc(c(c1)C)I 10ef4d7f37666fb6387d237ce186ee7f [0,2,0,0,0,0|2,0,0]=4 3888 B12R1.385 CCOCc1ccc(c(c1)Cl)Br 462d30b296aa19e82df398aca78c1565 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.385 CCOCc1ccc(c(c1)Cl)C 094a35726aaae717e4be998e3fa1d769 [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.385 CCOCc1ccc(c(c1)Cl)Cl 205057310a46a0067ab02b1a96e32191 [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.385 CCOCc1ccc(c(c1)Cl)F 37bc59b627ed89ca2916404c2096c425 [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.385 CCOCc1ccc(c(c1)Cl)I 7af14f8592e632be25b911954a052f42 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.385 CCOCc1ccc(c(c1)F)Br 1d8dcd69d13121bdbfd4460e036908fe [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.385 CCOCc1ccc(c(c1)F)C 0d45680218bcadba2bc3c68912f74396 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.385 CCOCc1ccc(c(c1)F)Cl 91591a5fa9834be1c0357da98b69a380 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.385 CCOCc1ccc(c(c1)F)F 487684497e6070d9191e67c2afeb535f [0,2,0,0,0,0|2,0,0]=4 3897 B12R1.385 CCOCc1ccc(c(c1)F)I a6bc92799c5a81ca3192b3bc36de5fd5 [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.385 CCOCc1ccc(c(c1)I)Br 95e3ce34f16943756363f9b9de0d1c3b [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.385 CCOCc1ccc(c(c1)I)C d2e8bd32757940c3fad8a6b5bc31e230 [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.385 CCOCc1ccc(c(c1)I)Cl af1e080ad8c6c1d00c5d0713156fe8ef [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.385 CCOCc1ccc(c(c1)I)F 6260e7416a8464170c802cfaf8cb5039 [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.385 Cc1cc(ccc1Br)CNCF d27aa6bb2970a2a80d8632c1a847cde8 [0,2,0,0,0,0|2,0,0]=4 3903 B12R1.385 Cc1cc(ccc1Br)CNCO c56ce5a1fc1ceb5be6240230211068ad [0,2,0,0,0,0|1,0,0]=3 3904 B12R1.385 Cc1cc(ccc1Br)COCF e008dd011a31db800d8faafd92285fb6 [0,2,0,0,0,0|2,0,0]=4 3905 B12R1.385 Cc1cc(ccc1Br)NCCF e762982f6758545254ca472007826b1e [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.385 Cc1cc(ccc1Br)NCCO e3fc596afe236ac0840aa7c303bc6e88 [0,2,0,0,0,0|1,0,0]=3 3907 B12R1.385 Cc1cc(ccc1Br)NCCS 43d5b152fb46f10da6cd804482646ba0 [0,2,0,0,0,0|1,1,0]=4 3908 B12R1.385 Cc1cc(ccc1Br)OCCF 5680a702fc995bcf6f39a0e6ea284b02 [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.385 Cc1cc(ccc1Br)OCCS 458728d95bc10f80e16f34233e0ed405 [0,2,0,0,0,0|1,1,0]=4 3910 B12R1.385 Cc1cc(ccc1Cl)COCF fb1a94ff7402d0cff09d4446cd5d8674 [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.385 Cc1cc(ccc1Cl)NCCF 598fe8b2d1eb288328da9d3f21c12c62 [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.385 Cc1cc(ccc1Cl)NCCO fa02ca830be8c48f822808ad6d093fda [0,2,0,0,0,0|1,0,0]=3 3913 B12R1.385 Cc1cc(ccc1Cl)NCCS c8d784da677c0a22d9e33ed3b806b58d [0,2,0,0,0,0|1,1,0]=4 3914 B12R1.385 Cc1cc(ccc1Cl)OCCF 567f9942e0e924b68b68b8fe6caddec3 [0,2,0,0,0,0|2,0,0]=4 3915 B12R1.385 Cc1cc(ccc1Cl)OCCS 76be981a317334b665c09cbc8fd01347 [0,2,0,0,0,0|1,1,0]=4 3916 B12R1.385 Cc1cc(ccc1F)CNCF b3740f3f411a953cd79bc9a427339938 [0,2,0,0,0,0|2,0,0]=4 3917 B12R1.385 Cc1cc(ccc1F)CNCO de991edbed35f8ed90030174fe8accb5 [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.385 Cc1cc(ccc1F)COCF 94611e62a70f02c100d8cad2f00b0b96 [0,2,0,0,0,0|2,0,0]=4 3919 B12R1.385 Cc1cc(ccc1F)NCCF 1fe20aee5adf1e99362fb8c3b41dac68 [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.385 Cc1cc(ccc1F)NCCO 9ef3e4f7d1c620c946cdf793d420e4c9 [0,2,0,0,0,0|1,0,0]=3 3921 B12R1.385 Cc1cc(ccc1F)NCCS 03258954ace3e3814f02333938971234 [0,2,0,0,0,0|1,1,0]=4 3922 B12R1.385 Cc1cc(ccc1F)OCCF 65713e9b39889c1eaa1468423f51a461 [0,2,0,0,0,0|2,0,0]=4 3923 B12R1.385 Cc1cc(ccc1F)OCCS 3b6e7ca7bc34677a8c58e14bf67d578e [0,2,0,0,0,0|1,1,0]=4 3924 B12R1.385 Cc1cc(ccc1I)CNCF 46084d9f149556d4961b07cc1da15850 [0,2,0,0,0,0|2,0,0]=4 3925 B12R1.385 Cc1cc(ccc1I)CNCO 7c7822f088bfb532fcae0cd452c703a6 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.385 Cc1cc(ccc1I)COCF 1fcdcf51300ae184f8789b00cf6b4132 [0,2,0,0,0,0|2,0,0]=4 3927 B12R1.385 Cc1cc(ccc1I)NCCF 0862af81a4e80ece2fc51b2a3f895430 [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.385 Cc1cc(ccc1I)NCCO b4bbabb66e6561150e6c860b05f40364 [0,2,0,0,0,0|1,0,0]=3 3929 B12R1.385 Cc1cc(ccc1I)NCCS 242959322fd509ec65cd91eca017b121 [0,2,0,0,0,0|1,1,0]=4 3930 B12R1.385 Cc1cc(ccc1I)OCCF d6e693452fe1184acb185a2557d25b8f [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.385 Cc1cc(ccc1I)OCCS 0a1c05bf95577bf64d09efd799c3e7a5 [0,2,0,0,0,0|1,1,0]=4 3932 B12R1.385 Cc1cc(cnc1Br)NCCO 57bea94d4288518c93e2c41bcb5ab671 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.385 Cc1cc(cnc1C)NCCO 166948002894a8ced86eb227855b4679 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.385 Cc1cc(cnc1Cl)CNCO eab90ad41b2271e18a7aa9a6ae61917b [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.385 Cc1cc(cnc1Cl)NCCO b6feb8420eaa03107c920d3515bbe841 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.385 Cc1cc(cnc1F)NCCO 59c055db63ff0372eda05df56640fe76 [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.385 Cc1cc(ncc1Br)NCCO c4d76a01d9d6ae5fd64211604baec920 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.385 Cc1cc(ncc1Cl)NCCO 3ddbda93db2f44abd48347ca86b3a763 [0,2,0,0,0,0|2,0,0]=4 3939 B12R1.385 Cc1cc(ncc1F)NCCO acc872664167af12f7288c743d8ffcec [0,2,0,0,0,0|2,0,0]=4 3940 B12R1.385 Cc1cc(ncc1I)NCCO c8cf91190918305aa39da61eb461f950 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.385 Cc1ccc([nH]c1=O)NCCO 6b1510a2ccc13af6fa74db54ba2b7c05 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.385 Cc1ccc(cc1Br)CNCO 19fc36a91b6d0f20f820cf8832794fdc [0,2,0,0,0,0|1,0,0]=3 3943 B12R1.385 Cc1ccc(cc1Br)COCF 6b17b9766b06546fe0f66b9fe6eb4e5a [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.385 Cc1ccc(cc1Br)NCCF e025ff45e681354688634cabe01a0718 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.385 Cc1ccc(cc1Br)NCCS c2c5f709d144de29e08923db6d9e7ab5 [0,2,0,0,0,0|1,1,0]=4 3946 B12R1.385 Cc1ccc(cc1Br)OCCF 9c1f54818017646942600a4d4479bc94 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.385 Cc1ccc(cc1Br)OCCS 49439f5ab1583e14bc26c8c83a724313 [0,2,0,0,0,0|1,1,0]=4 3948 B12R1.385 Cc1ccc(cc1C)CNCF 1dcef2ac7dbbe36dd2aad9965c41e5cf [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.385 Cc1ccc(cc1C)CNCO 9706adcb8ba7471baf48c88ab34a91d3 [0,2,0,0,0,0|1,0,0]=3 3950 B12R1.385 Cc1ccc(cc1C)COCF 4ed241f6e0eb2c1948b7605f9d23771d [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.385 Cc1ccc(cc1C)NCCF 00d41fae4d4714ca42c3e856caffa002 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.385 Cc1ccc(cc1C)NCCO e63c4ec5c26c8fb3e6b73ac94c19305d [0,2,0,0,0,0|1,0,0]=3 3953 B12R1.385 Cc1ccc(cc1C)NCCS 90e6eea1a57d3e7bee273206b2811f31 [0,2,0,0,0,0|1,1,0]=4 3954 B12R1.385 Cc1ccc(cc1C)OCCF 05b4fc09f5201942aa89e2e0f1bf1e9b [0,2,0,0,0,0|2,0,0]=4 3955 B12R1.385 Cc1ccc(cc1C)OCCS df5cb747bfda388fbcecc1019a780161 [0,2,0,0,0,0|1,1,0]=4 3956 B12R1.385 Cc1ccc(cc1Cl)CNCF c4970f2dcd0ad2e3cbe5b93573ea7759 [0,2,0,0,0,0|2,0,0]=4 3957 B12R1.385 Cc1ccc(cc1Cl)CNCO ccd03226186b0581c80ef6a372052a96 [0,2,0,0,0,0|1,0,0]=3 3958 B12R1.385 Cc1ccc(cc1Cl)COCF 8c932e78533e5957631c318fbb85503e [0,2,0,0,0,0|2,0,0]=4 3959 B12R1.385 Cc1ccc(cc1Cl)NCCF 141bf3c6bddc8776c2e177413b466436 [0,2,0,0,0,0|2,0,0]=4 3960 B12R1.385 Cc1ccc(cc1Cl)NCCO 717d1c2754174f6019076ed49e7f739d [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.385 Cc1ccc(cc1Cl)NCCS 81983dedd8fe6c2fe302d60600e8a54c [0,2,0,0,0,0|1,1,0]=4 3962 B12R1.385 Cc1ccc(cc1Cl)OCCF 7e9868412ecb17e219f4d7edc1c4fb5c [0,2,0,0,0,0|2,0,0]=4 3963 B12R1.385 Cc1ccc(cc1Cl)OCCS 8d48bbfd6e753e7be9b74be8fb5120e6 [0,2,0,0,0,0|1,1,0]=4 3964 B12R1.385 Cc1ccc(cc1F)CNCF c95230a8cb55d6d9f493275da8584513 [0,2,0,0,0,0|2,0,0]=4 3965 B12R1.385 Cc1ccc(cc1F)CNCO 5a7a5c25d3650b601fee5c9400688dd9 [0,2,0,0,0,0|1,0,0]=3 3966 B12R1.385 Cc1ccc(cc1F)COCF 85f8fcc18719ebf1aefce8f060674f3d [0,2,0,0,0,0|2,0,0]=4 3967 B12R1.385 Cc1ccc(cc1F)NCCBr a0148a5a51a3c98036a8200648658a06 [0,2,0,0,0,0|2,0,0]=4 3968 B12R1.385 Cc1ccc(cc1F)NCCF b31c426c734727e345b41959e8490bf4 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.385 Cc1ccc(cc1F)NCCI 59fe080b7b722db273ae517e2cda48e8 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.385 Cc1ccc(cc1F)NCCO 655c42445e2ec508209f0dc27fc842c1 [0,2,0,0,0,0|1,0,0]=3 3971 B12R1.385 Cc1ccc(cc1F)NCCS 496b0f3b7974e3a2d30b9e120a1b84cf [0,2,0,0,0,0|1,1,0]=4 3972 B12R1.385 Cc1ccc(cc1F)OCCF bfe547f7edd5618aafb9447fa943d3c4 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.385 Cc1ccc(cc1F)OCCS f238bf58d932997af0e325ef8a663b92 [0,2,0,0,0,0|1,1,0]=4 3974 B12R1.385 Cc1ccc(cc1I)COCF 57b6327d523da5caa7b2bb3263280bea [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.385 Cc1ccc(cc1I)NCCF ef603943497a25e7638501d93955f289 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.385 Cc1ccc(cc1I)NCCO 723c7b7aa21533161dee8ce542eba2c2 [0,2,0,0,0,0|1,0,0]=3 3977 B12R1.385 Cc1ccc(cc1I)NCCS 3ae3d0af5808210f73eed0b073905f57 [0,2,0,0,0,0|1,1,0]=4 3978 B12R1.385 Cc1ccc(cc1I)OCCF 2e2a535c2fe7ca27044ca815521d8401 [0,2,0,0,0,0|2,0,0]=4 3979 B12R1.385 Cc1ccc(cc1I)OCCS c45bd3e32642106471940474918d75f1 [0,2,0,0,0,0|1,1,0]=4 3980 B12R1.385 Cc1ccc(nc1Br)NCCO 198d4a955e640b20e776cfa6b96c2d44 [0,2,0,0,0,0|2,0,0]=4 3981 B12R1.385 Cc1ccc(nc1C)NCCO 831193f7f1afa7ed94f5e0117b44400f [0,2,0,0,0,0|2,0,0]=4 3982 B12R1.385 Cc1ccc(nc1Cl)NCCO 3c6ff3ad7d92aa2b98de57aebf9fbb13 [0,2,0,0,0,0|2,0,0]=4 3983 B12R1.385 Cc1ccc(nc1F)NCCO 1dff4de907b914cf5469dfc69b927afe [0,2,0,0,0,0|2,0,0]=4 3984 B12R1.385 Cc1cnc(cc1Br)NCCO f02f6e2e5e773d57a5537f6575788ecb [0,2,0,0,0,0|2,0,0]=4 3985 B12R1.385 Cc1cnc(cc1C)NCCO e9c336b44ec978aab67747171dde8c6a [0,2,0,0,0,0|2,0,0]=4 3986 B12R1.385 Cc1cnc(cc1Cl)NCCO 170cc322171c67329031542321dbb1d9 [0,2,0,0,0,0|2,0,0]=4 3987 B12R1.385 Cc1cnc(cc1F)NCCO 5e36edefb13fdb12a464b85c8aade21b [0,2,0,0,0,0|2,0,0]=4 3988 B12R1.385 Cc1cnc(cc1I)NCCO af296f7b749fa3099da4dde7f14dc6bd [0,2,0,0,0,0|2,0,0]=4 3989 B12R1.385 Cc1nc(ccc1Cl)NCCO de1a7288ef86de0cee8e437fbcb7d28a [0,2,0,0,0,0|2,0,0]=4 3990 B12R1.385 Cc1nc(ccc1F)NCCO e3a33f1d6d12ecda8b8732056ce2f34d [0,2,0,0,0,0|2,0,0]=4 3991 B12R1.385 Cc1nc(ccc1I)NCCO 73021cefa136f9e93a576b8e9c953599 [0,2,0,0,0,0|2,0,0]=4 3992 B12R1.385 Cc1ncc(cc1Br)NCCO df29605e1402e1585b5096f8f536880f [0,2,0,0,0,0|2,0,0]=4 3993 B12R1.385 Cc1ncc(cc1Cl)NCCO 5bd90e8aa6a639bf1342e51c55eb2805 [0,2,0,0,0,0|2,0,0]=4 3994 B12R1.385 Cc1ncc(cc1F)NCCO 3c052184952f83e0b1ac1550cb90544e [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.385 Cn1cc(ccc1=O)CNCO 16f48832329f273e86a5706abfb466c2 [0,2,0,0,0,0|2,0,0]=4 3996 B12R1.385 Cn1cc(ccc1=O)NCCO ce3d2ed1a3ae419189f68fecdd19bbb6 [0,2,0,0,0,0|2,0,0]=4 3997 B12R1.385 Cn1ccc(cc1=O)CNCO d600912fabd59df102cbd4feea59e44c [0,2,0,0,0,0|2,0,0]=4 3998 B12R1.385 Cn1ccc(cc1=O)NCCO 72c4842ff8685ae2922f5bb167393911 [0,2,0,0,0,0|2,0,0]=4 3999 B12R1.385 FCCNc1ccc(c(c1)Br)Br 3fb3faa7ff62e53d7f8e4d9f6d52baae [0,2,0,0,0,0|2,0,0]=4 4000 B12R1.385 FCCNc1ccc(c(c1)Br)Cl ef29c8a0721f1f3a7751b9f5e8a57fc6 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.385 FCCNc1ccc(c(c1)Br)F cdc3f83004508a93140eb197e2f817f3 [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.385 FCCNc1ccc(c(c1)Br)I 6c260d664c7d65c060ef2a0655149718 [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 5a52d00dc019b517eff8b0c57934a173 [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.385 FCCNc1ccc(c(c1)Cl)Cl 733cf155b137ffbadf901fea83d753fc [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.385 FCCNc1ccc(c(c1)Cl)F 6284e5ae082f76a84509445a4a63bebd [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.385 FCCNc1ccc(c(c1)Cl)I 991b8a4ef55581fa020079df9cbee51c [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.385 FCCNc1ccc(c(c1)F)Br a22d184b90092461d93c779f1868e68c [0,2,0,0,0,0|2,0,0]=4 4008 B12R1.385 FCCNc1ccc(c(c1)F)Cl 360cac7e0ab0dc8b6172dff2ecdeea07 [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.385 FCCNc1ccc(c(c1)F)F 54d13767fa57a13f778338c33c5cf042 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.385 FCCNc1ccc(c(c1)F)I 49ae7e3ce7f377d56863121db2960280 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.385 FCCNc1ccc(c(c1)I)Br 2b2388dc938427cd1b6c8db39d391b4f [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.385 FCCNc1ccc(c(c1)I)Cl 0968c09ea1d61287dd0c6158dbd8a8e2 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.385 FCCNc1ccc(c(c1)I)F 6400bb178dd0ffa40c0a3f2cc28691a7 [0,2,0,0,0,0|2,0,0]=4 4014 B12R1.385 FCCOc1ccc(c(c1)Br)Br 548fb7da5963e48b98c6aa2b3fd4c5f4 [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 222fb1a4675541dd593f86fe865d2fd9 [0,2,0,0,0,0|2,0,0]=4 4016 B12R1.385 FCCOc1ccc(c(c1)Br)F 07620e6ccea2acdb3f996b34677e6508 [0,2,0,0,0,0|2,0,0]=4 4017 B12R1.385 FCCOc1ccc(c(c1)Br)I 0fa153cea85bcf36499c26cf661816e5 [0,2,0,0,0,0|2,0,0]=4 4018 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 6ebcc2a57089b75f2519e2fd73b5f73f [0,2,0,0,0,0|2,0,0]=4 4019 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 9fea20c77bf66b8a80238d397469cc74 [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.385 FCCOc1ccc(c(c1)Cl)F 4f6308b44f580d4af5711d55dfc57242 [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.385 FCCOc1ccc(c(c1)Cl)I 89bcc1bc79fafa87c66a0acec79f86a4 [0,2,0,0,0,0|2,0,0]=4 4022 B12R1.385 FCCOc1ccc(c(c1)F)Br e659e0025210d9a917f86f8a880dd879 [0,2,0,0,0,0|2,0,0]=4 4023 B12R1.385 FCCOc1ccc(c(c1)F)Cl c3d8f0fe2795a1d577fe6f7980daab98 [0,2,0,0,0,0|2,0,0]=4 4024 B12R1.385 FCCOc1ccc(c(c1)F)F 55d4b5212c94b42abe35f79e8c305204 [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.385 FCCOc1ccc(c(c1)F)I 37ebcdd1faf78e051238494b3d8609a8 [0,2,0,0,0,0|2,0,0]=4 4026 B12R1.385 FCCOc1ccc(c(c1)I)Br 312640a0f15cb93dd3f33be08b084aec [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.385 FCCOc1ccc(c(c1)I)Cl ed88f7582d9c686ea3484a92e36c357d [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.385 FCCOc1ccc(c(c1)I)F 63888cfe96f72b7df544ebfa757fb066 [0,2,0,0,0,0|2,0,0]=4 4029 B12R1.385 FCNCc1ccc(c(c1)Br)Br 7a704ae3fc4176a21db89304aa44c125 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.385 FCNCc1ccc(c(c1)Br)Cl 74969e0f01dca4047b004a274449ceb9 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.385 FCNCc1ccc(c(c1)Br)F 98011a6c20c0e008d35b77aa8c0c1c80 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.385 FCNCc1ccc(c(c1)Cl)Br baf36a328f940ab5d4e3368b4adf38f7 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.385 FCNCc1ccc(c(c1)Cl)Cl 344ec191ae0eef1b900cbbf7a51b117f [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.385 FCNCc1ccc(c(c1)Cl)F 5a00b950a51ce2cb76a8e8261379eb12 [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.385 FCNCc1ccc(c(c1)F)Br 1e4356fe699fb5d37b6d9233389fd07b [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.385 FCNCc1ccc(c(c1)F)Cl 1c68c38d642dd298df30aadc2a77c029 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.385 FCNCc1ccc(c(c1)F)F 32d690bc7107d4061232af88c3ac701a [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.385 FCNCc1ccc(c(c1)F)I de8010b69c25e1b03989590609915ce0 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.385 FCOCc1ccc(c(c1)Br)Br 88522e8a7b77e1103493d31368a0c2b9 [0,2,0,0,0,0|2,0,0]=4 4040 B12R1.385 FCOCc1ccc(c(c1)Br)Cl cd43ebdd4220d37d36a6d840b84fb674 [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.385 FCOCc1ccc(c(c1)Br)F b4e687385b0644457f3a095aafed0d98 [0,2,0,0,0,0|2,0,0]=4 4042 B12R1.385 FCOCc1ccc(c(c1)Br)I c75501da14646a931e2d04f5e80d5e7a [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.385 FCOCc1ccc(c(c1)Cl)Br d13db71406187328765c4e077aeb4e85 [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.385 FCOCc1ccc(c(c1)Cl)Cl d6c7ea12dc240ffa5e168665c06d76d1 [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.385 FCOCc1ccc(c(c1)Cl)F b054ce3dd252de98381868fd6cc62308 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.385 FCOCc1ccc(c(c1)Cl)I 621ad48ceb54fb99774207f0280eab18 [0,2,0,0,0,0|2,0,0]=4 4047 B12R1.385 FCOCc1ccc(c(c1)F)Br 8b807f2183603d211f31697848ac8524 [0,2,0,0,0,0|2,0,0]=4 4048 B12R1.385 FCOCc1ccc(c(c1)F)Cl 92215fd6dd46a9ee47c3967e108e42b3 [0,2,0,0,0,0|2,0,0]=4 4049 B12R1.385 FCOCc1ccc(c(c1)F)F 2ebecbf2de2205b206253b26818f04be [0,2,0,0,0,0|2,0,0]=4 4050 B12R1.385 FCOCc1ccc(c(c1)F)I 8bbdf634aee47ea7b416a230bfa6ac75 [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.385 FCOCc1ccc(c(c1)I)Br cab14764d5db4c4f81c31b39d5553ca3 [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.385 FCOCc1ccc(c(c1)I)Cl 5b90681318645169f2ccd6a47b2ad0cb [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.385 FCOCc1ccc(c(c1)I)F 49a1de9c59fb8eb5f94bea7065aa4794 [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.385 Fc1cc(ccc1Br)NCCS 0f51f8ab581925f609b5bf4d596aaf95 [0,2,0,0,0,0|1,1,0]=4 4055 B12R1.385 Fc1cc(ccc1Br)OCCS d6ddf11d8030aff2258563131856f475 [0,2,0,0,0,0|1,1,0]=4 4056 B12R1.385 Fc1cc(ccc1Cl)NCCS 5e14d8ad0d184e821fd9835d1280e2d9 [0,2,0,0,0,0|1,1,0]=4 4057 B12R1.385 Fc1cc(ccc1Cl)OCCS 32a5af58f8664aa737da805e94dc74fe [0,2,0,0,0,0|1,1,0]=4 4058 B12R1.385 Fc1cc(ccc1I)NCCS 790d18ae04be0ae7f7db1f4f37574a5b [0,2,0,0,0,0|1,1,0]=4 4059 B12R1.385 Fc1cc(ccc1I)OCCS 5e55f05802c979daa3caf7402d9f077f [0,2,0,0,0,0|1,1,0]=4 4060 B12R1.385 Fc1ccc(cc1Br)NCCS ae40055b726b367e84eb3bbb83325f21 [0,2,0,0,0,0|1,1,0]=4 4061 B12R1.385 Fc1ccc(cc1Br)OCCS 65cda89fe5bad0ae516f1fcf1129ec46 [0,2,0,0,0,0|1,1,0]=4 4062 B12R1.385 Fc1ccc(cc1Cl)NCCS 8fdf8f11aa4be15e0806fd586e2c68a3 [0,2,0,0,0,0|1,1,0]=4 4063 B12R1.385 Fc1ccc(cc1Cl)OCCS c38676df9d62a3b5fb3d1468b7c7c668 [0,2,0,0,0,0|1,1,0]=4 4064 B12R1.385 Fc1ccc(cc1F)NCCBr f6ba4136070d77d3243ec712b02048c5 [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.385 Fc1ccc(cc1F)NCCI b5ed57444a83b0a7e2b1eb9b090889eb [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.385 Fc1ccc(cc1F)NCCS 4eef989e5f0306e7f952247108c79e26 [0,2,0,0,0,0|1,1,0]=4 4067 B12R1.385 Fc1ccc(cc1F)OCCS 7e9a7eb91f90ce1ecc8b558068b8f0f8 [0,2,0,0,0,0|1,1,0]=4 4068 B12R1.385 Fc1ccc(cc1I)NCCS 13f022c8847d23a4182edec805c0afc4 [0,2,0,0,0,0|1,1,0]=4 4069 B12R1.385 Fc1ccc(cc1I)OCCS 40d01036e04ee429f5a514b33de432e2 [0,2,0,0,0,0|1,1,0]=4 4070 B12R1.385 Nc1cc(cnc1N)NCCO 34ece059ef2655610b52b890a491a26b [0,2,0,0,0,0|2,0,0]=4 4071 B12R1.385 Nc1ccc(cc1N)NCCBr 16843ee0c257c321a2ed74a47ae3e1e7 [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.385 Nc1ccc(cc1N)NCCI d0b48263e963f0764f304579d764a1e4 [0,2,0,0,0,0|2,0,0]=4 4073 B12R1.385 Nc1ccc(cc1N)NCCO 6c21b8f80b435741850213a6d41d900a [0,2,0,0,0,0|1,0,0]=3 4074 B12R1.385 Nc1ccc(cc1N)NCCS 0785bb6add3cbd7f06410178fdc361ec [0,2,0,0,0,0|1,1,0]=4 4075 B12R1.385 Nc1ccc(nc1N)NCCO 5e263641572892cb76c78460f29f55b4 [0,2,0,0,0,0|2,0,0]=4 4076 B12R1.385 Nc1cnc(cc1N)NCCO 307374f61036f33819300fb820c8fbca [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.385 OCCNc1cc(c(cn1)Br)Br 08476999f220c925b77e3c840324b7bc [0,2,0,0,0,0|2,0,0]=4 4078 B12R1.385 OCCNc1cc(c(cn1)Br)Cl c366f62c9bde5f7f5ea19350e6d7ee95 [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.385 OCCNc1cc(c(cn1)Br)F bca550ad12ba4da2d10df6321c722023 [0,2,0,0,0,0|2,0,0]=4 4080 B12R1.385 OCCNc1cc(c(cn1)Cl)Br d42b3821998ccd5fe3b7ed76d7fdd8bf [0,2,0,0,0,0|2,0,0]=4 4081 B12R1.385 OCCNc1cc(c(cn1)Cl)Cl b1b8b68ae5abd87761b2de0ae5812599 [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.385 OCCNc1cc(c(cn1)Cl)F 383dd8ee5410ac4f74f0ee6da3fb7b7d [0,2,0,0,0,0|2,0,0]=4 4083 B12R1.385 OCCNc1cc(c(cn1)Cl)I 9c05a519338d575c78cb2ecc60ea8da0 [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.385 OCCNc1cc(c(cn1)F)Br 193c87f3f3e162f1df1ebd79442546d7 [0,2,0,0,0,0|2,0,0]=4 4085 B12R1.385 OCCNc1cc(c(cn1)F)Cl b2c3c08ea39c30438857155b3bb3feba [0,2,0,0,0,0|2,0,0]=4 4086 B12R1.385 OCCNc1cc(c(cn1)F)F 99ea7ff9966d8e7d76842ca86cfe8bb9 [0,2,0,0,0,0|2,0,0]=4 4087 B12R1.385 OCCNc1cc(c(cn1)F)I f5adbe4b9545ab0575f6db52a394e57a [0,2,0,0,0,0|2,0,0]=4 4088 B12R1.385 OCCNc1cc(c(cn1)I)Br b83321d717b9017dfd2c932af04bb896 [0,2,0,0,0,0|2,0,0]=4 4089 B12R1.385 OCCNc1cc(c(cn1)I)Cl 68c6cfb345f9e89c03c51d1288571761 [0,2,0,0,0,0|2,0,0]=4 4090 B12R1.385 OCCNc1cc(c(cn1)I)F 0fe2045dc09d8e1088d0b338233d59d9 [0,2,0,0,0,0|2,0,0]=4 4091 B12R1.385 OCCNc1ccc(c(c1)Br)Br 319876850ceaca737829bee23a91780f [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.385 OCCNc1ccc(c(c1)Br)Cl e18248ab8cb158ba9b4ffa11534a9d41 [0,2,0,0,0,0|1,0,0]=3 4093 B12R1.385 OCCNc1ccc(c(c1)Br)F b37a86e5e99054cfa10e5fcd22964778 [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.385 OCCNc1ccc(c(c1)Br)I c692e9e2377ba96b3bce721903d88432 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 117b7ca85084b5ae450e6bff148ea827 [0,2,0,0,0,0|1,0,0]=3 4096 B12R1.385 OCCNc1ccc(c(c1)Cl)Cl c20844c88818aa82c5bc0fc58f7943ee [0,2,0,0,0,0|1,0,0]=3 4097 B12R1.385 OCCNc1ccc(c(c1)Cl)F 7931f2fcc4477f738c2a857f34689acc [0,2,0,0,0,0|1,0,0]=3 4098 B12R1.385 OCCNc1ccc(c(c1)Cl)I 6b251d7418311af35a5b8e1054ab421f [0,2,0,0,0,0|1,0,0]=3 4099 B12R1.385 OCCNc1ccc(c(c1)F)Cl 7507a9d286e1cf5e43702514e584b6ec [0,2,0,0,0,0|1,0,0]=3 4100 B12R1.385 OCCNc1ccc(c(c1)F)F 70b5df1263c94a8a3a463f2eb82c3f5d [0,2,0,0,0,0|1,0,0]=3 4101 B12R1.385 OCCNc1ccc(c(c1)F)I c5d909ef9cfe4a513b5256ae885202bc [0,2,0,0,0,0|1,0,0]=3 4102 B12R1.385 OCCNc1ccc(c(c1)I)Cl abd886b918326f05afc832afd3d3b04f [0,2,0,0,0,0|1,0,0]=3 4103 B12R1.385 OCCNc1ccc(c(c1)I)F ca80469a3c5e7eaa37e73452d7a74f9e [0,2,0,0,0,0|1,0,0]=3 4104 B12R1.385 OCCNc1ccc(c(n1)Br)Cl 7e3c1d66033c92b4718cb67a9b6016fb [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.385 OCCNc1ccc(c(n1)Br)I cbe320e521b7699be958c969e0733f00 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.385 OCCNc1ccc(c(n1)Cl)Cl 405d9ebf5fd9dd9bb991c258dbe117b5 [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.385 OCCNc1ccc(c(n1)Cl)F 09b84effee02e2c7cb470ea1c10c7f81 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.385 OCCNc1ccc(c(n1)Cl)I 0e12bf59ba82d894250a1d3405ae93b4 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.385 OCCNc1ccc(c(n1)F)Cl 9829e6d279a36c06462c39ec6b72b591 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.385 OCCNc1ccc(c(n1)F)F ec1bf5c51302d6056263010b569934cb [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.385 OCCNc1ccc(c(n1)F)I 7c45741d13ec3f2c44bd451b825ebe2d [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.385 OCCNc1ccc(c(n1)I)F 105ffac866772ec7f6b3c84b7124e3ef [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.385 OCCNc1cnc(c(c1)Br)Br d3068035b9f488895f5da226a5465bba [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.385 OCCNc1cnc(c(c1)Br)Cl 606ae0bb8481b30ca695042bd42e2750 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.385 OCCNc1cnc(c(c1)Br)F 756d9caa0d47c4729969dac418cb66c0 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.385 OCCNc1cnc(c(c1)Br)I 0146767a17a955c72fe05315fda3bdb1 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.385 OCCNc1cnc(c(c1)Cl)Br 51a605a31db803350cc4c7c5f4832ea0 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.385 OCCNc1cnc(c(c1)Cl)Cl f5205edbf7847c92e1b27c11397d275e [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.385 OCCNc1cnc(c(c1)Cl)F 5425bbd1967ab0b710602b4882b1be25 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.385 OCCNc1cnc(c(c1)Cl)I d20df612509cc1190a0aff042a147fb2 [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.385 OCCNc1cnc(c(c1)F)Br 92caa5da409f9bfe2f258e75156365ce [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.385 OCCNc1cnc(c(c1)F)Cl f3c493796b100e2f25203d5c3d3a4290 [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.385 OCCNc1cnc(c(c1)F)F f0c26cdf21e0aa1a3aa2be5af405aad1 [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.385 OCCNc1cnc(c(c1)F)I eba729a6803fac2f3bbf36cffafb2e50 [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.385 OCCNc1cnc(c(c1)I)Br 3c40c63807efc6964bb234277baf5184 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.385 OCCNc1cnc(c(c1)I)Cl e2e02c551ccade9f107c2915df9f8332 [0,2,0,0,0,0|2,0,0]=4 4127 B12R1.385 OCNCc1ccc(c(c1)Br)Br 3b0f29fe4167a4a0c943bf45dc356521 [0,2,0,0,0,0|1,0,0]=3 4128 B12R1.385 OCNCc1ccc(c(c1)Br)Cl 055ae5fe8b1cf787263e8129b7bfffee [0,2,0,0,0,0|1,0,0]=3 4129 B12R1.385 OCNCc1ccc(c(c1)Br)F 7dd7f858a38241b5829dea12ea5cdf80 [0,2,0,0,0,0|1,0,0]=3 4130 B12R1.385 OCNCc1ccc(c(c1)Cl)Br 6093e25c7f44bdd79751c57b91eb93ad [0,2,0,0,0,0|1,0,0]=3 4131 B12R1.385 OCNCc1ccc(c(c1)Cl)Cl 39eb0f8d7e0ab581139ac1c53ac09a85 [0,2,0,0,0,0|1,0,0]=3 4132 B12R1.385 OCNCc1ccc(c(c1)Cl)F 573730d1aa1ec5c9e0a8536c62259ffb [0,2,0,0,0,0|1,0,0]=3 4133 B12R1.385 OCNCc1ccc(c(c1)F)Br b75804bdfe0c25e0d3f6eb6172eb3c84 [0,2,0,0,0,0|1,0,0]=3 4134 B12R1.385 OCNCc1ccc(c(c1)F)Cl 467342303de6bbfcdb783093159423a5 [0,2,0,0,0,0|1,0,0]=3 4135 B12R1.385 OCNCc1ccc(c(c1)F)F 01c0919e47354f73a697d72aa0887700 [0,2,0,0,0,0|1,0,0]=3 4136 B12R1.385 OCNCc1ccc(c(c1)F)I 93a19fef3188c59b8d32548de6e8554a [0,2,0,0,0,0|1,0,0]=3 4137 B12R1.385 OCNCc1ccc(c(n1)Cl)Cl 2abf315c0cd401b6934f0c944f19a659 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.385 OCNCc1cnc(c(c1)Br)Cl 8954b48e1a543fd6828a4e5843a2a4e3 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.385 OCNCc1cnc(c(c1)Cl)Cl 6a38187007f04bbed95a012c349812fd [0,2,0,0,0,0|2,0,0]=4 4140 B12R1.385 OCNCc1cnc(c(c1)F)Cl f46b47a1ab5096625ef8a425ecc37d87 [0,2,0,0,0,0|2,0,0]=4 4141 B12R1.385 Oc1cc(ccc1F)NCCS 7789a86c65d9f48050c940bd193d5905 [0,2,0,0,0,0|1,1,0]=4 4142 B12R1.385 Oc1ccc(cc1O)NCCS 7c234555db54f8ebc439b461eae0e3dd [0,2,0,0,0,0|1,1,0]=4 4143 B12R1.385 SCCNc1ccc(c(c1)Br)Br fb8b82aed66bfa5fea31d1dff7f91056 [0,2,0,0,0,0|1,1,0]=4 4144 B12R1.385 SCCNc1ccc(c(c1)Br)Cl f5ffeec9469c941bec1d65c87187b00a [0,2,0,0,0,0|1,1,0]=4 4145 B12R1.385 SCCNc1ccc(c(c1)Br)I 837bf600e342dcebfbaf219d00627a79 [0,2,0,0,0,0|1,1,0]=4 4146 B12R1.385 SCCNc1ccc(c(c1)Cl)Br 78020016eb39ba9168d74993ccb90f75 [0,2,0,0,0,0|1,1,0]=4 4147 B12R1.385 SCCNc1ccc(c(c1)Cl)Cl b34e643ac6f80593b00a5c374254936c [0,2,0,0,0,0|1,1,0]=4 4148 B12R1.385 SCCNc1ccc(c(c1)Cl)I bedc1209deda39ec984a73d6f9def3e5 [0,2,0,0,0,0|1,1,0]=4 4149 B12R1.385 SCCNc1ccc(c(c1)I)Br 6711d6421af77832e6a81c39d07ce06b [0,2,0,0,0,0|1,1,0]=4 4150 B12R1.385 SCCNc1ccc(c(c1)I)Cl 20076dff0c268d4ec42ad567a2110d0f [0,2,0,0,0,0|1,1,0]=4 4151 B12R1.385 SCCOc1ccc(c(c1)Br)Br bd1e65e87253fc69deb068ff0f259163 [0,2,0,0,0,0|1,1,0]=4 4152 B12R1.385 SCCOc1ccc(c(c1)Br)Cl f9c927c1a930851ce94583fa74cf29b5 [0,2,0,0,0,0|1,1,0]=4 4153 B12R1.385 SCCOc1ccc(c(c1)Br)I 89a8e932db6b8fcc86faa5081200e7c3 [0,2,0,0,0,0|1,1,0]=4 4154 B12R1.385 SCCOc1ccc(c(c1)Cl)Br 372b523419396b4c43f6aa946b43bd52 [0,2,0,0,0,0|1,1,0]=4 4155 B12R1.385 SCCOc1ccc(c(c1)Cl)Cl ba55a65fed0a8a2daad17338613aeee0 [0,2,0,0,0,0|1,1,0]=4 4156 B12R1.385 SCCOc1ccc(c(c1)Cl)I c2911ad852e99edf22da936ab3b1b935 [0,2,0,0,0,0|1,1,0]=4 4157 B12R1.385 SCCOc1ccc(c(c1)I)Br f06fe7fb8ef0b464133a2d20d51a93c0 [0,2,0,0,0,0|1,1,0]=4 4158 B12R1.385 SCCOc1ccc(c(c1)I)Cl 5095eb2e14298928f4b6202d659c2ae2 [0,2,0,0,0,0|1,1,0]=4 4159 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.3 C#CC(OCF)c1ccccc1 2fa7e76e82117aff64b2ec00c6359677 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.3 C#C[C@@H](OCF)c1ccccc1 c3e68c5845d9335e4c9c4bd259697e43 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.3 C#C[C@H](OCF)c1ccccc1 7ab26044a9cbad59f1b486eaa66d832b [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.3 C=CC(NCF)c1ccccc1 10ae09b5ad9c11712c1e0d307f5d7811 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.3 C=CC(NCO)c1ccccc1 059bf4cd23c9defe529348afd9ac29e4 [0,2,0,0,0,0|1,0,0]=3 4168 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.3 C=C[C@@H](NCF)c1ccccc1 87007f2d58a77127e300760fa39eaa08 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.3 C=C[C@@H](NCO)c1ccccc1 0443a692877053ff1e1a5a26e535fa7f [0,2,0,0,0,0|1,0,0]=3 4173 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.3 C=C[C@H](NCF)c1ccccc1 4fe754d8498c752ef4b3c99157f3177d [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.3 C=C[C@H](NCO)c1ccccc1 971121604f82db695e04bc0173604a06 [0,2,0,0,0,0|1,0,0]=3 4176 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,2,0,0,0,0|1,0,0]=3 4178 B12R1.3 CCC(NCO)c1ccccn1 53926739b5891202cd48ad9d7851078d [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.3 CCC(NCO)c1cccnc1 fc7ff5ecddc71c25db8fb93cf06fa985 [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.3 CCC(NCO)c1ccncc1 84ba64a663164f99367cb5a402dca926 [0,2,0,0,0,0|2,0,0]=4 4181 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.3 CCCN(C#N)c1ccccc1 cfc28cb4e183f808746da0f8e7595ff2 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.3 CCCN(C=O)c1ccccc1 dd84a45c645f807d0c332ade8b13b5fc [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.3 CCCN(CC)c1ccccc1 5ea19e4bc735ea7f3069a2089b17f98f [0,2,0,0,0,0|2,0,0]=4 4185 B12R1.3 CCCN(CF)c1ccccc1 09c2a5c50e06a77cf23cd7a11292cbb8 [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.3 CCCN(CO)c1ccccc1 332945179d143a8b0cba1e51c0b9da9c [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.3 CCN(CCCl)c1ccccc1 47212d52e7418dc451bee3761dbb1919 [0,2,0,0,0,0|2,0,0]=4 4188 B12R1.3 CCN(CCF)c1ccccc1 1f9535ebcbb04abfa8a63a91ce467760 [0,2,0,0,0,0|2,0,0]=4 4189 B12R1.3 CCN(CCO)c1ccccc1 1d2e59911dbe6dcca81bb0f2ddfcbc0f [0,2,0,0,0,0|1,0,0]=3 4190 B12R1.3 CCN(CCO)c1cccnc1 15d2e2a9eb2fa9a73e9e15ccc6ccf896 [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.3 CCN(CCO)c1ccncc1 0a62093099f576956c744a5c1509f816 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.3 CCN(CCS)c1ccccc1 44ac60c76caf5f87f5e7ad1379af23fc [0,2,0,0,0,0|1,1,0]=4 4193 B12R1.3 CCNC(C#N)c1ccccc1 9c3c1340c48a32c7b7c4df075ca3e927 [0,2,0,0,0,0|2,0,0]=4 4194 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,2,0,0,0,0|2,0,0]=4 4195 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [0,2,0,0,0,0|2,0,0]=4 4196 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,2,0,0,0,0|2,0,0]=4 4197 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [0,2,0,0,0,0|2,0,0]=4 4198 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,2,0,0,0,0|2,0,0]=4 4200 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [0,2,0,0,0,0|2,0,0]=4 4201 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [0,2,0,0,0,0|2,0,0]=4 4202 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [0,2,0,0,0,0|2,0,0]=4 4203 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [0,2,0,0,0,0|2,0,0]=4 4204 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [0,2,0,0,0,0|2,0,0]=4 4205 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [0,2,0,0,0,0|2,0,0]=4 4206 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [0,2,0,0,0,0|2,0,0]=4 4207 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [0,2,0,0,0,0|2,0,0]=4 4208 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,2,0,0,0,0|2,0,0]=4 4209 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,2,0,0,0,0|1,0,0]=3 4210 B12R1.3 CC[C@@H](NCO)c1ccccn1 a746d9485bf61fd67aed410025514b7c [0,2,0,0,0,0|2,0,0]=4 4211 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [0,2,0,0,0,0|2,0,0]=4 4212 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,2,0,0,0,0|2,0,0]=4 4213 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,2,0,0,0,0|1,0,0]=3 4214 B12R1.3 CC[C@H](NCO)c1ccccn1 b9aba8abff04e6b3b6b4a248c7495edb [0,2,0,0,0,0|2,0,0]=4 4215 B12R1.3 CC[C@H](NCO)c1ccncc1 ae2c34c80c5c8add8ece2f5037ec56a1 [0,2,0,0,0,0|2,0,0]=4 4216 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [0,2,0,0,0,0|2,0,0]=4 4217 B12R1.3 FCCN(CF)c1ccccc1 870013bb646c4a0af032a557e0685de1 [0,2,0,0,0,0|2,0,0]=4 4218 B12R1.3 FCN[C@@H](CF)c1ccccc1 7653dba4c4786a42a01c43c68d5b04cc [0,2,0,0,0,0|2,0,0]=4 4219 B12R1.3 FCOC(CF)c1ccccc1 e8fe0e4aad5be8f3a99471fec3f8b5fe [0,2,0,0,0,0|2,0,0]=4 4220 B12R1.3 FCO[C@H](CF)c1ccccc1 45e7d0441fac00b521f5a76542de6b8f [0,2,0,0,0,0|2,0,0]=4 4221 B12R1.3 N#CC(NCF)c1ccccc1 f98eb0c12cea160e611c8a32cf94e460 [0,2,0,0,0,0|2,0,0]=4 4222 B12R1.3 N#CC(NCO)c1ccccc1 3a25592688f62e9e2e1c0aa1965a0e6e [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.3 N#CC(NCO)c1cccnc1 73f497e9799e2bb4d5de7846ca8812b8 [0,2,0,0,0,0|2,0,0]=4 4224 B12R1.3 N#CC(OCF)c1ccccc1 93318d744c7b2c4359f3cad01cdd3b48 [0,2,0,0,0,0|2,0,0]=4 4225 B12R1.3 N#CN(CCF)c1ccccc1 956f8509d05da432e1fda1d4bb2778a5 [0,2,0,0,0,0|2,0,0]=4 4226 B12R1.3 N#CN(CCS)c1ccccc1 94a9440837ee40ab71780b6daad957fd [0,2,0,0,0,0|1,1,0]=4 4227 B12R1.3 N#C[C@H](OCF)c1ccccc1 29429bb9b7be9e0ca0101546c4b4678f [0,2,0,0,0,0|2,0,0]=4 4228 B12R1.3 O=CN(CCF)c1ccccc1 cecc898c90ae32628e1e22021418ffd8 [0,2,0,0,0,0|2,0,0]=4 4229 B12R1.3 O=CN(CCO)c1ccccc1 2cfbca70005c73b7e0b1c55ae8b1e4cf [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.3 O=CN(CCO)c1ccccn1 fd4af6075fda05ac6ba4cf6dcc6f641d [0,2,0,0,0,0|2,0,0]=4 4231 B12R1.3 O=CN(CCO)c1ccncc1 a46d4180101fea18f1923cd95ba425a2 [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.3 OCC(NCF)c1ccccc1 eaf7d36725e016b8868e5ee278bca73b [0,2,0,0,0,0|2,0,0]=4 4233 B12R1.3 OCCN(CF)c1ccncc1 33fc93f2be2c44a7fb28844b0bc765af [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.3 OCCN(CO)c1ccccc1 ba6a8be47efc1ec0016eed9d3b57ce03 [0,2,0,0,0,0|1,0,0]=3 4235 B12R1.3 OCCN(CO)c1ccccn1 6465bd7a165184a2e4b35e2c5107ce54 [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.3 OCCN(CO)c1cccnc1 d2380d7fff4f7c7b175ce3409383b91f [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.3 OCCN(CO)c1ccncc1 745517d7c6d8e231cb0d7fec2e5738a2 [0,2,0,0,0,0|2,0,0]=4 4238 B12R1.3 OCN(CCF)c1ccccc1 4f6774c80c8828d0150a0cdf480a2cd9 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.3 OCNC(CO)c1ccccc1 a3cd377c07e89cc8008c00850413e2fa [0,2,0,0,0,0|1,0,0]=3 4240 B12R1.3 OCNC(CO)c1ccccn1 b142262ac051c80247b7d90b7a9ed6e5 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.3 OCNC(CO)c1cccnc1 bf33a438ee347f0f7457f3bfdd9019db [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.3 OCNC(CO)c1ccncc1 c6fa817ce42068fb81b41813f4cf2a14 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.3 OCN[C@@H](CF)c1ccccc1 c48dbb78e8705925b437f732da4df883 [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.3 OCN[C@@H](CO)c1ccccc1 47e5ec93da6df8b6056499be137dbc47 [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.3 OCN[C@@H](CO)c1cccnc1 1851bdd345aa50a3f28742cd74bcba2d [0,2,0,0,0,0|2,0,0]=4 4246 B12R1.3 OCN[C@H](CO)c1ccccc1 a68f9bf02ebd1849a27bc4bc05035ca2 [0,2,0,0,0,0|1,0,0]=3 4247 B12R1.3 OCN[C@H](CO)c1cccnc1 2c03644208700645b39f92fc88c3ee2f [0,2,0,0,0,0|2,0,0]=4 4248 B12R1.3 OCN[C@H](CO)c1ccncc1 117751597b15fa3e6b121e4d7a330da1 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.3 OC[C@@H](NCF)c1ccccc1 0ac5a4dce202f249594459f5d60bcf4f [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.3 OC[C@H](NCF)c1ccccc1 590aacd64b7799646c86138b9bcd2be8 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.17 CC(NCF)c1cccc(c1)Br a2bf6ac8599b4fdc533428a0a167007b [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.17 CC(NCF)c1cccc(c1)Cl 4c7f84cd6c39a51029b777465c7d6c95 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.17 CC(NCF)c1cccc(c1)F 9494b4cbaacf534daa070aaa11205da8 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.17 CC(NCO)c1cc(ccn1)Cl b7e140075399d0d9549172dda681de21 [0,2,0,0,0,0|2,0,0]=4 4255 B12R1.17 CC(NCO)c1cccc(c1)Br 922e64f914a2d632d7487974626feb20 [0,2,0,0,0,0|1,0,0]=3 4256 B12R1.17 CC(NCO)c1cccc(c1)Cl 73fe839960baaaa01e59634dd685dbb1 [0,2,0,0,0,0|1,0,0]=3 4257 B12R1.17 CC(NCO)c1cccc(c1)F f0652a3f82e27702014e62d0566a1de9 [0,2,0,0,0,0|1,0,0]=3 4258 B12R1.17 CC(NCO)c1cccc(n1)Br 330bc7041ccb88e2d9dcc16c0a1671e3 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.17 CC(NCO)c1cccc(n1)Cl c8b87a739cf63b5fe7468946f39b4c1a [0,2,0,0,0,0|2,0,0]=4 4260 B12R1.17 CC(NCO)c1cccc(n1)F 2d93ae8191cbd761fd34e84a1a330079 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.17 CC(NCO)c1cncc(c1)Br ea12ec63c4233d96cefb053126293636 [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.17 CC(NCO)c1cncc(c1)F 97b619b76552b230a356051d0aa3d1d5 [0,2,0,0,0,0|2,0,0]=4 4263 B12R1.17 CC(OCF)c1cccc(c1)Br 01ca5a07dd81c7a95fe1bcc746ec9e7d [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.17 CC(OCF)c1cccc(c1)Cl 779988336410abd4eac123ce57f5e2f3 [0,2,0,0,0,0|2,0,0]=4 4265 B12R1.17 CC(OCF)c1cccc(c1)F b9dd2c50cb926ad35e251041562dcc7e [0,2,0,0,0,0|2,0,0]=4 4266 B12R1.17 CC(OCF)c1cccc(c1)I 47eaf0683a1d125a502deea14ce1bd87 [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.17 CCCN(C)c1cccc(c1)Br 7eb75a8250f95c9697df4917ec6489ae [0,2,0,0,0,0|2,0,0]=4 4268 B12R1.17 CCCN(C)c1cccc(c1)Cl 07e726c51710591c3cf839ae947b1a42 [0,2,0,0,0,0|2,0,0]=4 4269 B12R1.17 CCCN(C)c1cccc(c1)F af9295ec07040c2649b20d250b5d0681 [0,2,0,0,0,0|2,0,0]=4 4270 B12R1.17 CCCN(C)c1cccc(c1)I 91e551f84de58d84b25877bbf8b8f4e6 [0,2,0,0,0,0|2,0,0]=4 4271 B12R1.17 CCNC(C)c1cccc(c1)Br e6c9fd584e7feb4e758a650f51e22ccc [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.17 CCNC(C)c1cccc(c1)C db8e6428335d8b366ee39d6e277943db [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.17 CCNC(C)c1cccc(c1)Cl 51c25d2dceca4ad868198756d2f3ea90 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.17 CCNC(C)c1cccc(c1)F 6a89435cbf3436c2764f23c876d831b5 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.17 CCN[C@@H](C)c1cccc(c1)Br 6882c062be643e6f1479c43382a1f97e [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.17 CCN[C@@H](C)c1cccc(c1)C ad1678c586d84563b274dd5bcfd4c65b [0,2,0,0,0,0|2,0,0]=4 4277 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl 85c185ae290690f3266862442a2473d8 [0,2,0,0,0,0|2,0,0]=4 4278 B12R1.17 CCN[C@@H](C)c1cccc(c1)F 0dedb0b66bba28f84038e5ae70474542 [0,2,0,0,0,0|2,0,0]=4 4279 B12R1.17 CCN[C@@H](C)c1cccc(c1)I e0c90057fd046352ca9827408e1c3425 [0,2,0,0,0,0|2,0,0]=4 4280 B12R1.17 CCN[C@H](C)c1cccc(c1)Br 5c6dbc44b6f3f8ec6a8c3fa96245bb1d [0,2,0,0,0,0|2,0,0]=4 4281 B12R1.17 CCN[C@H](C)c1cccc(c1)C bb6f09b8be3dec841bef80f5325226bf [0,2,0,0,0,0|2,0,0]=4 4282 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl 07473dd26a362400745fd7b6b88adc2a [0,2,0,0,0,0|2,0,0]=4 4283 B12R1.17 CCN[C@H](C)c1cccc(c1)F e235faf6f177090ebbe131406ad51bf5 [0,2,0,0,0,0|2,0,0]=4 4284 B12R1.17 CCOC(C)c1cccc(c1)Br 42ca494baf4aa0a38e9fb3366b773268 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.17 CCOC(C)c1cccc(c1)C 77489ca20b0c159fdffd29d1744d738a [0,2,0,0,0,0|2,0,0]=4 4286 B12R1.17 CCOC(C)c1cccc(c1)Cl d76065522f99861b8f31d7f88c32d628 [0,2,0,0,0,0|2,0,0]=4 4287 B12R1.17 CCOC(C)c1cccc(c1)F 724570a61f9c9797e61dce1db0386846 [0,2,0,0,0,0|2,0,0]=4 4288 B12R1.17 CCOC(C)c1cccc(c1)I d454d6b1d8844d9b454c0363645bbb70 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.17 CCO[C@@H](C)c1cccc(c1)Br a6bcaa4e35963ce1794b8e13e8f20ac9 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.17 CCO[C@@H](C)c1cccc(c1)C 33dd0e36ecc47e9d30382124af23bb72 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.17 CCO[C@@H](C)c1cccc(c1)Cl a0cb09592617352d4e52595d42a99fc5 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.17 CCO[C@@H](C)c1cccc(c1)F dc0d46b451aae28446975dff011877bb [0,2,0,0,0,0|2,0,0]=4 4293 B12R1.17 CCO[C@H](C)c1cccc(c1)Br b1e5cf473b6a64a7764f8f222a9041d3 [0,2,0,0,0,0|2,0,0]=4 4294 B12R1.17 CCO[C@H](C)c1cccc(c1)C f495253381fbba7e8b85f8c69e274296 [0,2,0,0,0,0|2,0,0]=4 4295 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 0ea8aa6694bd99a0876fd9dc9ea2a396 [0,2,0,0,0,0|2,0,0]=4 4296 B12R1.17 CCO[C@H](C)c1cccc(c1)F e6c9bbadd74036f7f872059480f0031e [0,2,0,0,0,0|2,0,0]=4 4297 B12R1.17 CN(CCF)c1cccc(c1)Br 1eaf9c4181adbd967212440571b63008 [0,2,0,0,0,0|2,0,0]=4 4298 B12R1.17 CN(CCF)c1cccc(c1)Cl cbcb7740d169c0c913c076593b480cfc [0,2,0,0,0,0|2,0,0]=4 4299 B12R1.17 CN(CCF)c1cccc(c1)F 83c9da60dd03b3b5da8cd4ae59ee58f0 [0,2,0,0,0,0|2,0,0]=4 4300 B12R1.17 CN(CCF)c1cccc(c1)I e41371a3eeade0126ef6a01f975e53c8 [0,2,0,0,0,0|2,0,0]=4 4301 B12R1.17 CN(CCO)c1cc(ccn1)Br eb8da6decab32e12fb0af480f3215745 [0,2,0,0,0,0|2,0,0]=4 4302 B12R1.17 CN(CCO)c1cc(ccn1)Cl 5ff5a8fe0f47cf18853d3bb0dd90f646 [0,2,0,0,0,0|2,0,0]=4 4303 B12R1.17 CN(CCO)c1cc(ccn1)F 6b04be46f60df800bc95dc40e1e2d2db [0,2,0,0,0,0|2,0,0]=4 4304 B12R1.17 CN(CCO)c1cc(ccn1)I 1c011b89e2d92d374cc19419adf58cce [0,2,0,0,0,0|2,0,0]=4 4305 B12R1.17 CN(CCO)c1cccc(c1)Br 20c2812752b1ce00e3d71fccb80c7aa1 [0,2,0,0,0,0|1,0,0]=3 4306 B12R1.17 CN(CCO)c1cccc(c1)Cl 88465db1fd69d56d6deff614fef03275 [0,2,0,0,0,0|1,0,0]=3 4307 B12R1.17 CN(CCO)c1cccc(c1)F a8bbe18437d5b67c291304f6e51174e1 [0,2,0,0,0,0|1,0,0]=3 4308 B12R1.17 CN(CCO)c1cccc(c1)I d744b91b919c38643f6814695e418d73 [0,2,0,0,0,0|1,0,0]=3 4309 B12R1.17 CN(CCO)c1ccnc(c1)Br e8da5e3e2c2ddcdf84fbcc0ecdf40b30 [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.17 CN(CCO)c1ccnc(c1)Cl 54f3b3f423c53e02eea7b96378d378c2 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.17 CN(CCO)c1ccnc(c1)F 64a7db04556cf436b743d5173844c042 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.17 CN(CCS)c1cccc(c1)Br 6276545855ec60555b5ea66978905a02 [0,2,0,0,0,0|1,1,0]=4 4313 B12R1.17 CN(CCS)c1cccc(c1)Cl d6af42fa463d9692229bcb79ff28abc9 [0,2,0,0,0,0|1,1,0]=4 4314 B12R1.17 CN(CCS)c1cccc(c1)F 322e8c9340cbb2f9afbd3b83b310b4aa [0,2,0,0,0,0|1,1,0]=4 4315 B12R1.17 CN(CCS)c1cccc(c1)I c5da5a4c1631eccf7f5ec6f9a07b4855 [0,2,0,0,0,0|1,1,0]=4 4316 B12R1.17 C[C@@H](NCF)c1cccc(c1)Br b6f8c9bd09110a695ab69e835a11528f [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.17 C[C@@H](NCF)c1cccc(c1)Cl 51273893323908f404d0771452cfa891 [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 8e7cfaa12936ce28fa901d54b1a42650 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.17 C[C@@H](NCO)c1cccc(c1)Br f4e23e99bc0af39389f5e820105091c6 [0,2,0,0,0,0|1,0,0]=3 4320 B12R1.17 C[C@@H](NCO)c1cccc(c1)Cl 66919fef6442a963feb11c547bf0f444 [0,2,0,0,0,0|1,0,0]=3 4321 B12R1.17 C[C@@H](NCO)c1cccc(c1)F af0a186842d46dc3d160d1d73b074e17 [0,2,0,0,0,0|1,0,0]=3 4322 B12R1.17 C[C@@H](NCO)c1cccc(n1)Br d04f7ecde07e9686ae3f8569d61db551 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.17 C[C@@H](NCO)c1ccnc(c1)Br bf0a4f47f3e5f801fd7bc978d55c9416 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.17 C[C@@H](NCO)c1ccnc(c1)Cl 974ef1b05998a83317217ba39855c960 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.17 C[C@@H](NCO)c1cncc(c1)Br 7baf3bfccf17d6f7e82f9bbcd34dd601 [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.17 C[C@@H](NCO)c1cncc(c1)Cl af81bccd4f42912f214f0e51a77d8257 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.17 C[C@@H](OCF)c1cccc(c1)Br 3635f89a50b809c06e2b3cdfa5d2c51c [0,2,0,0,0,0|2,0,0]=4 4328 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl ce1b56b0348a5f75a7d08f4ba9a2645e [0,2,0,0,0,0|2,0,0]=4 4329 B12R1.17 C[C@@H](OCF)c1cccc(c1)F db90468b8247fcc2691f8c1eae8f3170 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.17 C[C@H](NCF)c1cccc(c1)Br db0a4e2e6a3386ecd680ff15bbff55b6 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.17 C[C@H](NCF)c1cccc(c1)Cl 78a93a48938be6d811aa015374bd3a25 [0,2,0,0,0,0|2,0,0]=4 4332 B12R1.17 C[C@H](NCF)c1cccc(c1)F cb191264be636045c991bc9d5d685235 [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.17 C[C@H](NCF)c1cccc(c1)I 963cc0fd84e434cdb5fe81b0537c5306 [0,2,0,0,0,0|2,0,0]=4 4334 B12R1.17 C[C@H](NCO)c1cccc(c1)Br 7ca4ed875cb62977d0b3495961086da4 [0,2,0,0,0,0|1,0,0]=3 4335 B12R1.17 C[C@H](NCO)c1cccc(c1)Cl 4a94abc52fcba40074ffa13791de35e2 [0,2,0,0,0,0|1,0,0]=3 4336 B12R1.17 C[C@H](NCO)c1cccc(c1)F 26286d84a69bcd3442b2384f5cacf4e4 [0,2,0,0,0,0|1,0,0]=3 4337 B12R1.17 C[C@H](NCO)c1cccc(c1)I 427d824bfdf0564f5453d07d6cb7fc73 [0,2,0,0,0,0|1,0,0]=3 4338 B12R1.17 C[C@H](NCO)c1cccc(n1)Br 333b57939c008a15f22f1c2a8cac0fbf [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.17 C[C@H](NCO)c1ccnc(c1)Cl 85b1dd44982385cc479a33120c6f0a08 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.17 C[C@H](NCO)c1cncc(c1)Br db823556f41682991545fcc999885d61 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.17 C[C@H](NCO)c1cncc(c1)Cl 0855c4a997a7e767bd90115b6de923d9 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.17 C[C@H](NCO)c1cncc(c1)F 0c38c7d6654fb9821e73b5c7bc4e88cf [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.17 C[C@H](OCF)c1cccc(c1)Br e07701f3eb8039891a25d9669ca4f86f [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.17 C[C@H](OCF)c1cccc(c1)Cl d4085536390541eae57a7cc1f385cabd [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.17 C[C@H](OCF)c1cccc(c1)F c4be0bb49a60701d42d09cbffc2347d5 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.17 Cc1cc(ccn1)C(C)NCO 91870d5be54dc72df168e8e5ca4a33cc [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.17 Cc1cc(ccn1)[C@@H](C)NCO 4419bece8009b6038ed3c155b7c1d844 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.17 Cc1cc(ccn1)[C@H](C)NCO 891e1f8758bc9d4a438917777f749514 [0,2,0,0,0,0|2,0,0]=4 4349 B12R1.17 Cc1cccc(c1)C(C)NCF 7e3116c712611fefcdfd513800603318 [0,2,0,0,0,0|2,0,0]=4 4350 B12R1.17 Cc1cccc(c1)C(C)NCO 484ffc2c296fe00c0d77539815bedf5c [0,2,0,0,0,0|1,0,0]=3 4351 B12R1.17 Cc1cccc(c1)C(C)OCF 963db7b78a9268c2604a30dfb5ebd6c7 [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.17 Cc1cccc(c1)N(C)CCO 57169823c45689d92231ab04b18b1e3d [0,2,0,0,0,0|1,0,0]=3 4353 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF c486091fb8f9b65be6016b6eb85006ad [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.17 Cc1cccc(c1)[C@@H](C)NCO 63ebfbb9109d04da9ae1a8c4632dbbee [0,2,0,0,0,0|1,0,0]=3 4355 B12R1.17 Cc1cccc(c1)[C@@H](C)OCF 1e508f4bbd9fe6fc7b8df0aa50acdaed [0,2,0,0,0,0|2,0,0]=4 4356 B12R1.17 Cc1cccc(c1)[C@H](C)NCF 0e7eb695a786eb23f0b219255d4a875f [0,2,0,0,0,0|2,0,0]=4 4357 B12R1.17 Cc1cccc(c1)[C@H](C)NCO 815974376dfce3e8219bd556a1e15106 [0,2,0,0,0,0|1,0,0]=3 4358 B12R1.17 Cc1cccc(c1)[C@H](C)OCF 936eb812ed1a822378b352f4016df5fc [0,2,0,0,0,0|2,0,0]=4 4359 B12R1.17 Cc1cccc(n1)C(C)NCO c626a1005ccc75aa609ecac0371342da [0,2,0,0,0,0|2,0,0]=4 4360 B12R1.17 Cc1cccc(n1)[C@H](C)NCO a655850c04184eba0eba00c1972b7490 [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.17 Cc1ccnc(c1)C(C)NCO 72c9f40dc6e13732ac73eb2315724b7c [0,2,0,0,0,0|2,0,0]=4 4362 B12R1.17 Cc1ccnc(c1)N(C)CCO 852062107cebe5979dff0e7672c29115 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.17 Cc1cncc(c1)N(C)CCO 0b3963eeaacf8c7359d429c301b9780a [0,2,0,0,0,0|2,0,0]=4 4364 B12R1.30 C#CCCN(C)c1ccccc1 26c0497305b10abd73ca8cb441cc00c7 [0,2,0,0,0,0|1,0,1]=4 4365 B12R1.30 C#CCNC(C)c1ccccc1 8ed5828c2e258c30367c2a46a0344f1e [0,2,0,0,0,0|1,0,1]=4 4366 B12R1.30 C#CCN[C@@H](C)c1ccccc1 c2e57a43b39094fb9cc8c5d89eda2aec [0,2,0,0,0,0|1,0,1]=4 4367 B12R1.30 C#CCN[C@H](C)c1ccccc1 0027d86dcd1350148f8559798567d252 [0,2,0,0,0,0|1,0,1]=4 4368 B12R1.30 C#CCOC(C)c1ccccc1 29a457d91187748bd9fba937b2dce22a [0,2,0,0,0,0|1,0,1]=4 4369 B12R1.30 C#CCO[C@@H](C)c1ccccc1 a17750258d0bbb03a82d71c12a4ef66f [0,2,0,0,0,0|1,0,1]=4 4370 B12R1.30 C#CCO[C@H](C)c1ccccc1 daa23676a75f018b9eb1a615337c3d8a [0,2,0,0,0,0|1,0,1]=4 4371 B12R1.30 C=C(COCC)c1ccccc1 e1174170fb735530ed2c07509ad0f64f [0,2,0,0,0,0|1,0,1]=4 4372 B12R1.30 C=C(COCF)c1ccccc1 7f9b3146156f36d50e79417005ca927c [0,2,0,0,0,0|1,0,1]=4 4373 B12R1.30 C=CCCN(C)c1ccccc1 a374f5bd2d62273d4657e1e6ebbd42ca [0,2,0,0,0,0|1,0,1]=4 4374 B12R1.30 C=CCNC(C)c1ccccc1 fa2a8c61f42c61d4674c5e223d49122c [0,2,0,0,0,0|1,0,1]=4 4375 B12R1.30 C=CCN[C@@H](C)c1ccccc1 600f83b5cdc08e60e339b69a1a0c1bbe [0,2,0,0,0,0|1,0,1]=4 4376 B12R1.30 C=CCN[C@H](C)c1ccccc1 d607bf8a84d857931725e26673643b18 [0,2,0,0,0,0|1,0,1]=4 4377 B12R1.30 C=CCOC(C)c1ccccc1 8044d3406b23fdabe4ad5833cf2a8d4b [0,2,0,0,0,0|1,0,1]=4 4378 B12R1.30 C=CCO[C@@H](C)c1ccccc1 a727c5edd06769bc0527d3d68934d138 [0,2,0,0,0,0|1,0,1]=4 4379 B12R1.30 C=CCO[C@H](C)c1ccccc1 ff3f82ad85551dde7fcd068107420df1 [0,2,0,0,0,0|1,0,1]=4 4380 B12R1.30 CC(CNC#N)c1ccccc1 d5f4eb607db5752f9711ebcab25281e7 [0,2,0,0,0,0|1,0,1]=4 4381 B12R1.30 CC(CNC=O)c1ccccc1 383885393da95737b5a43ceb7230b818 [0,2,0,0,0,0|0,0,2]=4 4382 B12R1.30 CC(CNCF)c1ccccc1 5f1d9fd84074424c65197fad8c2e5513 [0,2,0,0,0,0|1,0,0]=3 4383 B12R1.30 CC(CNCO)c1ccccc1 462ae9832b5de19cce882c0427ce8c7b [0,2,0,0,0,0|0,0,0]=2 4384 B12R1.30 CC(COCF)c1ccccc1 c129742ad0b3dcb07ba4c78eb9851e3b [0,2,0,0,0,0|1,0,0]=3 4385 B12R1.30 CC(COCF)c1ccccn1 cadf5699bf3656449a20b6c87901461e [0,2,0,0,0,0|2,0,0]=4 4386 B12R1.30 CC(NCC#N)c1ccccc1 85ca8869c6ae0debccfd66d74dfbe1ee [0,2,0,0,0,0|1,0,1]=4 4387 B12R1.30 CC(NCC=O)c1ccccc1 d9b90894b15660347d656ab520d55286 [0,2,0,0,0,0|0,0,2]=4 4388 B12R1.30 CC(NCCF)c1ccccc1 a4890edd7f21677f225a27bfc036a9e4 [0,2,0,0,0,0|1,0,0]=3 4389 B12R1.30 CC(NCCF)c1ccccn1 e4b3c22db6493feb1d8ba5ab52abe2b7 [0,2,0,0,0,0|2,0,0]=4 4390 B12R1.30 CC(NCCF)c1cccnc1 98453ca856fdce67138eff6b8a58632f [0,2,0,0,0,0|2,0,0]=4 4391 B12R1.30 CC(NCCF)c1ccncc1 d00a6ddb58ca2888baf35eb5f7d83ab7 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.30 CC(NCCO)c1ccccc1 15ebe2893003a0c55ecacb3da2e2c5b8 [0,2,0,0,0,0|0,0,0]=2 4393 B12R1.30 CC(NCCO)c1ccccn1 1f2512975bc0cda2de4ebeb90f7dc4c3 [0,2,0,0,0,0|1,0,0]=3 4394 B12R1.30 CC(NCCO)c1cccnc1 835f2191033f26e623aa2f33664ce4a3 [0,2,0,0,0,0|1,0,0]=3 4395 B12R1.30 CC(NCCO)c1cccnn1 71f8c48cc767772398bf86786dbec8a1 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.30 CC(NCCO)c1ccncc1 406a87a9f7a46ead1517264ef12a0a00 [0,2,0,0,0,0|1,0,0]=3 4397 B12R1.30 CC(NCCO)c1ccncn1 81a4e361b9d04ae9e65e9427a3c9f5f2 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.30 CC(NCCO)c1ccnnc1 adb395705cc8c7fe7c2fb01abe191d21 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.30 CC(NCCO)c1cnccn1 526a392317240d71c4ff3b0c450c61ac [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.30 CC(NCCO)c1cncnc1 c9a60323a8fc7107bd0d27781f637fc3 [0,2,0,0,0,0|2,0,0]=4 4401 B12R1.30 CC(NCCO)c1ncccn1 d351757eb55ed505210def43e8d94148 [0,2,0,0,0,0|2,0,0]=4 4402 B12R1.30 CC(NCCS)c1ccccc1 c90c5f78811b5a3e744fa24aabe1d478 [0,2,0,0,0,0|0,1,0]=3 4403 B12R1.30 CC(NCCS)c1ccccn1 bc977812ec4257d304ab2ebe4f44b33d [0,2,0,0,0,0|1,1,0]=4 4404 B12R1.30 CC(NCCS)c1cccnc1 b6e72c7d872edae9d7608a5511e2393b [0,2,0,0,0,0|1,1,0]=4 4405 B12R1.30 CC(NCCS)c1ccncc1 7849a27ddacacf00980844a9b4c95f39 [0,2,0,0,0,0|1,1,0]=4 4406 B12R1.30 CC(OCC#N)c1ccccc1 1ec1dc9da1f2b2c8e841a4b7ee7f537f [0,2,0,0,0,0|1,0,1]=4 4407 B12R1.30 CC(OCC=O)c1ccccc1 5c4b88cbd6ba661cea0ad67f126d3e82 [0,2,0,0,0,0|0,0,2]=4 4408 B12R1.30 CC(OCCF)c1ccccc1 296004c8a3c297153de64ff701a708ab [0,2,0,0,0,0|1,0,0]=3 4409 B12R1.30 CC(OCCF)c1ccccn1 1e34d1fd3e0ec6ea60da54fdaef9c85f [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.30 CC(OCCF)c1cccnc1 98746f7ef16d61be172e1b4730ee6c59 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.30 CC(OCCF)c1ccncc1 2fd99a52aa1b5385b3d4e118d8f00646 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.30 CC(OCCS)c1ccccc1 8a2d25daddbc7e25b5ea41349af0bdcf [0,2,0,0,0,0|0,1,0]=3 4413 B12R1.30 CC(OCCS)c1ccccn1 6fa6a7898d0d08fa2306db1213a20785 [0,2,0,0,0,0|1,1,0]=4 4414 B12R1.30 CC(OCCS)c1cccnc1 f4e3b8480b601c42b0835714b4b72018 [0,2,0,0,0,0|1,1,0]=4 4415 B12R1.30 CC(OCCS)c1ccncc1 85b5e549ddd47782d9dcd4ed95346b84 [0,2,0,0,0,0|1,1,0]=4 4416 B12R1.30 CCCCN(C)c1ccccc1 5138c426816999d109cc4a6b536acc57 [0,2,0,0,0,0|1,0,0]=3 4417 B12R1.30 CCCCN(C)c1ccccn1 28cd8015bdaf9aae9f5fc252e8d2111d [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.30 CCCCN(C)c1cccnc1 088893a35ea97628d677bdb560c104b8 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.30 CCCCN(C)c1ccncc1 75414bf2a6ccb411945f0546844c595b [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.30 CCCNC(=O)c1ccccc1 17d55bfe3f14492436164da3d0c80e57 [0,2,0,0,0,0|1,0,1]=4 4421 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.30 CCCNC(C)c1ccccn1 cc14fd04410800b4bd6435a8ddd3bb22 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.30 CCCNC(C)c1cccnc1 ad711bb62eeb1aee43dc7dd8f93d36ef [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.30 CCCNC(C)c1ccncc1 5bbf0ec17de63181b9f984c6ee459099 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [0,2,0,0,0,0|1,0,0]=3 4426 B12R1.30 CCCN[C@@H](C)c1ccccn1 03c5378eb87bcbab461643e14036da7b [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.30 CCCN[C@@H](C)c1cccnc1 ebfd88cd08246c9c4c8dd5665a36e4de [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.30 CCCN[C@@H](C)c1ccncc1 247a85b98e9473b8ba80ebe1aa76666d [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [0,2,0,0,0,0|1,0,0]=3 4430 B12R1.30 CCCN[C@H](C)c1ccccn1 b254cf125be5ff667ba0c27b98f7399e [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.30 CCCN[C@H](C)c1cccnc1 336ef7d0edfb76e914cc3e6724738449 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.30 CCCN[C@H](C)c1ccncc1 c38d0e044de489d76af7664dba013771 [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [0,2,0,0,0,0|1,0,0]=3 4434 B12R1.30 CCCOC(C)c1ccccn1 b39d3fe2e04295201526414ffb8b346f [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.30 CCCOC(C)c1cccnc1 b4a5c4f0d8d2d6a3dec1c8ec47f4f20f [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.30 CCCOC(C)c1ccncc1 23b85e46df5ec55325d031745f8d75b2 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [0,2,0,0,0,0|1,0,0]=3 4438 B12R1.30 CCCO[C@@H](C)c1ccccn1 180a656c513628a596211eb51193e51c [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.30 CCCO[C@@H](C)c1cccnc1 a6442581c5df29535d93cb8f5fa5694f [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.30 CCCO[C@@H](C)c1ccncc1 f346339788fa1f3b54ec1b08208e6598 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [0,2,0,0,0,0|1,0,0]=3 4442 B12R1.30 CCCO[C@H](C)c1ccccn1 59ae42f1d2cbb8cb8fe36530c47f41d1 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.30 CCCO[C@H](C)c1cccnc1 fec7058011aa3e2c96cfd1d3b525aa6e [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.30 CCCO[C@H](C)c1ccncc1 cb8ccc8bc89fedd96f0e6231288da52e [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [0,2,0,0,0,0|1,0,1]=4 4446 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [0,2,0,0,0,0|1,0,0]=3 4447 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.30 CCNCC(O)c1ccccn1 6b1c434bb8a1b8b261ec43b19c8a9bde [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.30 CCNCC(O)c1cccnc1 855e09cd2dd0a891326c5d3074b7ce5d [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.30 CCNCC(O)c1ccncc1 3f7210030fe9a0f2bae5b80e88f85abe [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [0,2,0,0,0,0|1,0,0]=3 4452 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [0,2,0,0,0,0|1,0,0]=3 4453 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [0,2,0,0,0,0|1,0,0]=3 4454 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [0,2,0,0,0,0|1,0,0]=3 4455 B12R1.30 CCOCC(=O)c1ccccc1 d10a1656db1ce15c4b0e7531fc2ce741 [0,2,0,0,0,0|1,0,1]=4 4456 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [0,2,0,0,0,0|1,0,0]=3 4457 B12R1.30 CCOCC(C)c1ccccn1 2d50cc0927617393348c2ce87012ad45 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [0,2,0,0,0,0|1,0,0]=3 4459 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [0,2,0,0,0,0|1,0,0]=3 4460 B12R1.30 CN(C/C=C\O)c1ccccc1 5869f46023496a4fc7e5076d759ace60 [0,2,0,0,0,0|0,0,2]=4 4461 B12R1.30 CN(CCC#N)c1ccccc1 23b443fbe6fd49c306bece79b166b6d1 [0,2,0,0,0,0|1,0,1]=4 4462 B12R1.30 CN(CCC=O)c1ccccc1 9715602a2b8ce4ca6f6ceb5c71eca01f [0,2,0,0,0,0|0,0,2]=4 4463 B12R1.30 CN(CCCF)c1ccccc1 721389a2fe3a1bc3a7ab8adcc61dc5ff [0,2,0,0,0,0|1,0,0]=3 4464 B12R1.30 CN(CCCF)c1ccccn1 f82732034faff0efb4c76ab215fc2390 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.30 CN(CCCF)c1cccnc1 7e6973658179976bf6eb8dc410e29450 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.30 CN(CCCF)c1ccncc1 689eacadf48b4d966fd54597d9eab72f [0,2,0,0,0,0|2,0,0]=4 4467 B12R1.30 CN(CCCO)c1ccccc1 99b9f18cd67ae7ad12fedc7e34599859 [0,2,0,0,0,0|0,0,0]=2 4468 B12R1.30 CN(CCCO)c1ccccn1 6a0267938e46dcaa9e7d0d0bdf5a5018 [0,2,0,0,0,0|1,0,0]=3 4469 B12R1.30 CN(CCCO)c1cccnc1 6d29a11c5dde844bef7c9507140658fc [0,2,0,0,0,0|1,0,0]=3 4470 B12R1.30 CN(CCCO)c1cccnn1 e4f402bf02557c5dbd26cfde2503b4c3 [0,2,0,0,0,0|2,0,0]=4 4471 B12R1.30 CN(CCCO)c1ccncc1 2d67921f7151dbf9d88fa5c0e8936362 [0,2,0,0,0,0|1,0,0]=3 4472 B12R1.30 CN(CCCO)c1ccncn1 03b5845c3a3e3952ea2f22c5440837ad [0,2,0,0,0,0|2,0,0]=4 4473 B12R1.30 CN(CCCO)c1ccnnc1 22a2b04a62265425be408796f00b8282 [0,2,0,0,0,0|2,0,0]=4 4474 B12R1.30 CN(CCCO)c1cnccn1 60ee7b3e95b9ed783f1007d922dbd6a5 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.30 CN(CCCO)c1ncccn1 c13739bb3f821fb33b99b253b3658bf6 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.30 CN(CCCS)c1ccccn1 a7513535781e19af129643ad81a737e2 [0,2,0,0,0,0|1,1,0]=4 4477 B12R1.30 CN(CCCS)c1cccnc1 5a94a6ed06d259a54197f597631b0f27 [0,2,0,0,0,0|1,1,0]=4 4478 B12R1.30 CN(CCCS)c1ccncc1 d7e1e0023af47d0696ad518a493d0bbb [0,2,0,0,0,0|1,1,0]=4 4479 B12R1.30 CN(CCON)c1ccccc1 94cf645c4c77140e45852773a65b7658 [0,2,0,0,0,0|1,0,0]=3 4480 B12R1.30 CN(CCON)c1ccccn1 4ad2f65b6bf22319240009e381b63f09 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.30 CN(CCON)c1cccnc1 1082a358885b552922d4f121324f5d81 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.30 COCCN(C)c1ccccc1 f88ab3abd109b8d6e952f5ff5bda6892 [0,2,0,0,0,0|1,0,0]=3 4483 B12R1.30 COCCN(C)c1ccccn1 376e5b72ea9a7dbdd5aeb5f5bc5cf452 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.30 COCCN(C)c1cccnc1 4f9df4b065d1c9e4a8e6fa505ba3f2dd [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.30 COCCN(C)c1ccncc1 8402b9e1bce48d226db34206d45462c3 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [0,2,0,0,0,0|1,0,0]=3 4487 B12R1.30 COCNC(C)c1ccccn1 22800b3ec5673e703cef9baf9917e3d2 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.30 COCNC(C)c1cccnc1 3b8f3215bb671696fda56e94e8674604 [0,2,0,0,0,0|2,0,0]=4 4489 B12R1.30 COCNC(C)c1ccncc1 557d89b6b89aa64ab92cee16216fefd4 [0,2,0,0,0,0|2,0,0]=4 4490 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.30 COCN[C@@H](C)c1ccccn1 4145c37cf98927207d4b903c5b8dd837 [0,2,0,0,0,0|2,0,0]=4 4492 B12R1.30 COCN[C@@H](C)c1cccnc1 00ed3ee3fdd3eacbaf23a145cc56829b [0,2,0,0,0,0|2,0,0]=4 4493 B12R1.30 COCN[C@@H](C)c1ccncc1 e5771889fddafddb835b8e40a4924887 [0,2,0,0,0,0|2,0,0]=4 4494 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [0,2,0,0,0,0|1,0,0]=3 4495 B12R1.30 COCN[C@H](C)c1ccccn1 2342d53c6195e8ed5385640c40678800 [0,2,0,0,0,0|2,0,0]=4 4496 B12R1.30 COCN[C@H](C)c1cccnc1 221f90621b3face8d5ddf0399a64c75b [0,2,0,0,0,0|2,0,0]=4 4497 B12R1.30 COCN[C@H](C)c1ccncc1 e601f1926d8106e5694f3b267e229bd9 [0,2,0,0,0,0|2,0,0]=4 4498 B12R1.30 COCOC(C)c1ccccc1 0b1f9c9cdb2cc63a37919c47ba14afe7 [0,2,0,0,0,0|1,0,0]=3 4499 B12R1.30 COCOC(C)c1ccccn1 96e3f8673063db846b1328064926b8e5 [0,2,0,0,0,0|2,0,0]=4 4500 B12R1.30 COCOC(C)c1cccnc1 643684e61fedf53617fedae92fa75424 [0,2,0,0,0,0|2,0,0]=4 4501 B12R1.30 COCOC(C)c1ccncc1 e713cf3a963edba7c0b8cf8e46dda145 [0,2,0,0,0,0|2,0,0]=4 4502 B12R1.30 COCO[C@@H](C)c1ccccc1 4f223b91f36fa3bfe971e90568b0e3b0 [0,2,0,0,0,0|1,0,0]=3 4503 B12R1.30 COCO[C@@H](C)c1ccccn1 2377670b88698f2edbc70d4e18de68ac [0,2,0,0,0,0|2,0,0]=4 4504 B12R1.30 COCO[C@@H](C)c1cccnc1 17fd6c5b51edf6fabed3ef2792222607 [0,2,0,0,0,0|2,0,0]=4 4505 B12R1.30 COCO[C@@H](C)c1ccncc1 1238319c035b42c93f1000c64c766fa2 [0,2,0,0,0,0|2,0,0]=4 4506 B12R1.30 COCO[C@H](C)c1ccccc1 ba83963d37e25f49896a3a9bad50ab4f [0,2,0,0,0,0|1,0,0]=3 4507 B12R1.30 COCO[C@H](C)c1ccccn1 458a21f21c67e992b19f7c56288b02ea [0,2,0,0,0,0|2,0,0]=4 4508 B12R1.30 COCO[C@H](C)c1cccnc1 34e6426da9f6f855e9b1fb3a0535c51c [0,2,0,0,0,0|2,0,0]=4 4509 B12R1.30 COCO[C@H](C)c1ccncc1 c5dbb60f43a9a1932fd8194dbc2609ff [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.30 CSCCN(C)c1ccccc1 e519282dbdf6c8d213fc611d45219205 [0,2,0,0,0,0|1,1,0]=4 4511 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [0,2,0,0,0,0|1,1,0]=4 4512 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [0,2,0,0,0,0|1,1,0]=4 4513 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [0,2,0,0,0,0|1,1,0]=4 4514 B12R1.30 CSCOC(C)c1ccccc1 641ae777302bb1952ab6a4af8532f275 [0,2,0,0,0,0|1,1,0]=4 4515 B12R1.30 CSCO[C@@H](C)c1ccccc1 4fac534708704f5d5e3429eb46cba8d5 [0,2,0,0,0,0|1,1,0]=4 4516 B12R1.30 CSCO[C@H](C)c1ccccc1 6e65c7d8640db47c99545e1f59d710dc [0,2,0,0,0,0|1,1,0]=4 4517 B12R1.30 C[C@@H](CNC=O)c1ccccc1 4fd65e091e214d9221c262810e411c80 [0,2,0,0,0,0|0,0,2]=4 4518 B12R1.30 C[C@@H](CNCF)c1ccccc1 796d7cc72a99b25de3cd91eec937f176 [0,2,0,0,0,0|1,0,0]=3 4519 B12R1.30 C[C@@H](CNCO)c1ccccc1 742ee8e739f2ff7dbfa020bf6612568d [0,2,0,0,0,0|0,0,0]=2 4520 B12R1.30 C[C@@H](COCF)c1ccccc1 3ef1be7494a491550febb3ea126e0341 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.30 C[C@@H](NCC#N)c1ccccc1 79a0e920b4d897eb15d12e8b6b71cbe9 [0,2,0,0,0,0|1,0,1]=4 4522 B12R1.30 C[C@@H](NCC=O)c1ccccc1 de3c0d8a847d9265ee59861806469e38 [0,2,0,0,0,0|0,0,2]=4 4523 B12R1.30 C[C@@H](NCCF)c1ccccc1 6855a77d5eca1f1b4bab257a19ad71b3 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.30 C[C@@H](NCCF)c1ccccn1 154a8f5306674b5b4fb86554624d8f02 [0,2,0,0,0,0|2,0,0]=4 4525 B12R1.30 C[C@@H](NCCF)c1cccnc1 12f73e5e559ab85e5122e1a81e53b390 [0,2,0,0,0,0|2,0,0]=4 4526 B12R1.30 C[C@@H](NCCF)c1ccncc1 f4597ee5de5808cd0436c64921b79837 [0,2,0,0,0,0|2,0,0]=4 4527 B12R1.30 C[C@@H](NCCO)c1ccccc1 4d75c0848045c856d6629664b5c37bb2 [0,2,0,0,0,0|0,0,0]=2 4528 B12R1.30 C[C@@H](NCCO)c1ccccn1 0a16ea94a018ff0b30ce209917ed1b9a [0,2,0,0,0,0|1,0,0]=3 4529 B12R1.30 C[C@@H](NCCO)c1cccnc1 b66a1d2b51096a933fc11fef30758fa0 [0,2,0,0,0,0|1,0,0]=3 4530 B12R1.30 C[C@@H](NCCO)c1ccncc1 0c6f3025e3de9b3aae5ed17757ac9746 [0,2,0,0,0,0|1,0,0]=3 4531 B12R1.30 C[C@@H](NCCO)c1cncnc1 d5c8314db1b52e6069707bd69563ccb4 [0,2,0,0,0,0|2,0,0]=4 4532 B12R1.30 C[C@@H](NCCS)c1ccccc1 f68ec1897d41d2f78889d11e1a576659 [0,2,0,0,0,0|0,1,0]=3 4533 B12R1.30 C[C@@H](NCCS)c1ccccn1 3c328d281ac093addd2e4f5b2a08326f [0,2,0,0,0,0|1,1,0]=4 4534 B12R1.30 C[C@@H](NCCS)c1cccnc1 cdf27954c484f85825d6a106da8327f4 [0,2,0,0,0,0|1,1,0]=4 4535 B12R1.30 C[C@@H](NCCS)c1ccncc1 564280d12a7e5487659e2ce4d5b8772c [0,2,0,0,0,0|1,1,0]=4 4536 B12R1.30 C[C@@H](OCC#N)c1ccccc1 b7bf8cbcee7c14c575bc4d4a84868d53 [0,2,0,0,0,0|1,0,1]=4 4537 B12R1.30 C[C@@H](OCC=O)c1ccccc1 2ac21f5d0549ec288424cc0d2265d67c [0,2,0,0,0,0|0,0,2]=4 4538 B12R1.30 C[C@@H](OCCF)c1ccccc1 203a44e775c1adfe6a43ad6321e3d4aa [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.30 C[C@@H](OCCF)c1ccccn1 306dcb258e36cc782fdcf000c106db6f [0,2,0,0,0,0|2,0,0]=4 4540 B12R1.30 C[C@@H](OCCF)c1cccnc1 6a3742b6aeb10bfd8630f9322804c184 [0,2,0,0,0,0|2,0,0]=4 4541 B12R1.30 C[C@@H](OCCF)c1ccncc1 9ca8f057b584d7865baf30c9804c1471 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.30 C[C@@H](OCCS)c1ccccc1 831161e77b199edd57098275b43b0190 [0,2,0,0,0,0|0,1,0]=3 4543 B12R1.30 C[C@@H](OCCS)c1ccccn1 00966c93f3a32971e22b816f853a389e [0,2,0,0,0,0|1,1,0]=4 4544 B12R1.30 C[C@@H](OCCS)c1cccnc1 d6da99f8c2b9434d3cc09ce712188144 [0,2,0,0,0,0|1,1,0]=4 4545 B12R1.30 C[C@@H](OCCS)c1ccncc1 8b78a7064bd055cef5a899538bcf5919 [0,2,0,0,0,0|1,1,0]=4 4546 B12R1.30 C[C@H](CNC#N)c1ccccc1 82cbedd68be846042bfc1a0fd0ff5ef2 [0,2,0,0,0,0|1,0,1]=4 4547 B12R1.30 C[C@H](CNC=O)c1ccccc1 d012ad42959d735a95ee99ba7191a36d [0,2,0,0,0,0|0,0,2]=4 4548 B12R1.30 C[C@H](CNCF)c1ccccc1 b55b7c71b6efb4d2ef804c8c8ecd1876 [0,2,0,0,0,0|1,0,0]=3 4549 B12R1.30 C[C@H](CNCO)c1ccccc1 348e8a14ee3f664d50cb7fb06a3ca693 [0,2,0,0,0,0|0,0,0]=2 4550 B12R1.30 C[C@H](COCF)c1ccccc1 dfac0c7125baf2c94bf4011a8539eabb [0,2,0,0,0,0|1,0,0]=3 4551 B12R1.30 C[C@H](NCC#N)c1ccccc1 04ab453e311f4e57bddb16b9d73b093d [0,2,0,0,0,0|1,0,1]=4 4552 B12R1.30 C[C@H](NCC=O)c1ccccc1 a3dc214a4fba86b355b0ede6b011be4e [0,2,0,0,0,0|0,0,2]=4 4553 B12R1.30 C[C@H](NCCF)c1ccccc1 da1d01952688d248cad72e73d81548b6 [0,2,0,0,0,0|1,0,0]=3 4554 B12R1.30 C[C@H](NCCF)c1ccccn1 f1507c4498e0ea85ccdeaef26b852927 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.30 C[C@H](NCCF)c1cccnc1 a8765c66d7cc17b491f189e0f6d31357 [0,2,0,0,0,0|2,0,0]=4 4556 B12R1.30 C[C@H](NCCF)c1ccncc1 818b9216bea5b63acbbe621c04908250 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.30 C[C@H](NCCO)c1ccccc1 1afbfcd53073af538ea2805bff509aa6 [0,2,0,0,0,0|0,0,0]=2 4558 B12R1.30 C[C@H](NCCO)c1ccccn1 c2fd11dd9f27b634fcee9eaeb69b256c [0,2,0,0,0,0|1,0,0]=3 4559 B12R1.30 C[C@H](NCCO)c1cccnc1 5061f6c061f5b5de0c552bc3e5115a0f [0,2,0,0,0,0|1,0,0]=3 4560 B12R1.30 C[C@H](NCCO)c1ccncc1 83f16c2381f34da6933a2e2726904426 [0,2,0,0,0,0|1,0,0]=3 4561 B12R1.30 C[C@H](NCCO)c1cncnc1 fe16cd6a2a579f96b81ddf0539c08fcd [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.30 C[C@H](NCCS)c1ccccc1 8f0e850ed93fd86c5c98f711b3615cfc [0,2,0,0,0,0|0,1,0]=3 4563 B12R1.30 C[C@H](NCCS)c1ccccn1 f4973bc66b9f31efb5fdc29911ab6563 [0,2,0,0,0,0|1,1,0]=4 4564 B12R1.30 C[C@H](NCCS)c1cccnc1 6cbc88044740d67f6693a909702392fa [0,2,0,0,0,0|1,1,0]=4 4565 B12R1.30 C[C@H](NCCS)c1ccncc1 be1bb3fedabbd57cd88d469223ee956b [0,2,0,0,0,0|1,1,0]=4 4566 B12R1.30 C[C@H](OCC#N)c1ccccc1 dec9f32ff56faa2d18e3e3c1709f800a [0,2,0,0,0,0|1,0,1]=4 4567 B12R1.30 C[C@H](OCC=O)c1ccccc1 00d569f48b2d6afec7a482be4dffe552 [0,2,0,0,0,0|0,0,2]=4 4568 B12R1.30 C[C@H](OCCF)c1ccccc1 c0748435be7f607898a504b3471e7402 [0,2,0,0,0,0|1,0,0]=3 4569 B12R1.30 C[C@H](OCCF)c1ccccn1 eb41a7ae9bfefe79c79492164ee8d675 [0,2,0,0,0,0|2,0,0]=4 4570 B12R1.30 C[C@H](OCCF)c1cccnc1 56b5df1d6daccd65bac8f52b25674d64 [0,2,0,0,0,0|2,0,0]=4 4571 B12R1.30 C[C@H](OCCF)c1ccncc1 3c1b0c9b96f911a2c92d45ec8c7e7146 [0,2,0,0,0,0|2,0,0]=4 4572 B12R1.30 C[C@H](OCCS)c1ccccc1 37922141bea6d1cffd84b12460e94096 [0,2,0,0,0,0|0,1,0]=3 4573 B12R1.30 C[C@H](OCCS)c1ccccn1 065ed8aaf45ef6ab5be60abd14e2bec7 [0,2,0,0,0,0|1,1,0]=4 4574 B12R1.30 C[C@H](OCCS)c1cccnc1 5d1eb8a0b2f3130d914871e9f0d962e5 [0,2,0,0,0,0|1,1,0]=4 4575 B12R1.30 C[C@H](OCCS)c1ccncc1 78167650c274e1c0818cb36619849a6d [0,2,0,0,0,0|1,1,0]=4 4576 B12R1.30 N#CNCC(O)c1ccccc1 9720d365060a0fcf7ba83a373e380727 [0,2,0,0,0,0|1,0,1]=4 4577 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [0,2,0,0,0,0|1,0,1]=4 4578 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [0,2,0,0,0,0|0,0,1]=3 4579 B12R1.30 O=C(COCF)c1ccccc1 1a03c575b01170f76330974774069cf7 [0,2,0,0,0,0|1,0,1]=4 4580 B12R1.30 O=C(NCCBr)c1ccccc1 7c87b4242707692635884c6b6fcd4df1 [0,2,0,0,0,0|1,0,1]=4 4581 B12R1.30 O=C(NCCF)c1ccccc1 e638ffad58379d89848ae9345da1475d [0,2,0,0,0,0|1,0,1]=4 4582 B12R1.30 O=C(NCCI)c1ccccc1 f9da4089887204671775e3bd8a7c2cbe [0,2,0,0,0,0|1,0,1]=4 4583 B12R1.30 O=C(NCCO)c1ccccc1 d034a5a3334662fbb2c17b7d9b92b751 [0,2,0,0,0,0|0,0,1]=3 4584 B12R1.30 O=C(NCCO)c1ccccn1 a2021453263d08de31cb9c035df6984e [0,2,0,0,0,0|1,0,1]=4 4585 B12R1.30 O=C(NCCO)c1cccnc1 963df7532c713daef1e9a51aa93e2bdc [0,2,0,0,0,0|1,0,1]=4 4586 B12R1.30 O=C(NCCO)c1ccncc1 b9544645504fe39897f7e585f5d653d0 [0,2,0,0,0,0|1,0,1]=4 4587 B12R1.30 O=C(NCCS)c1ccccc1 0eed267da0c4369b9172240aa5aa6bce [0,2,0,0,0,0|0,1,1]=4 4588 B12R1.30 O=CNCC(O)c1ccccc1 bd6972d51445a44c3965cbebc4bd5db7 [0,2,0,0,0,0|0,0,2]=4 4589 B12R1.30 O=CNC[C@@H](O)c1ccccc1 d65458916acffc3e27ffc1f7d36d329e [0,2,0,0,0,0|0,0,2]=4 4590 B12R1.30 O=CNC[C@H](O)c1ccccc1 f93baa496dc07ecacf88304e0a316c36 [0,2,0,0,0,0|0,0,2]=4 4591 B12R1.30 OC(CNCF)c1ccccc1 dadff12dfa7b072497d1230db84a7ab0 [0,2,0,0,0,0|1,0,0]=3 4592 B12R1.30 OC(CNCF)c1ccccn1 28b23d2b21264b95b0a73626d3ab73c9 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.30 OC(CNCF)c1cccnc1 cf35ee8aac22551332adc042d29300c0 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.30 OC(CNCF)c1ccncc1 0e2adfe79ee4a1ae9e152358d2961a9a [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.30 OCNCC(O)c1ccccc1 a1873e0f542e845030155bc61f7ab033 [0,2,0,0,0,0|0,0,0]=2 4596 B12R1.30 OCNCC(O)c1ccccn1 ec2dcb570a75423958acfe8c8ceb5bda [0,2,0,0,0,0|1,0,0]=3 4597 B12R1.30 OCNCC(O)c1cccnc1 706b32d1f3a3c7b4480e7c94bfb1ff54 [0,2,0,0,0,0|1,0,0]=3 4598 B12R1.30 OCNCC(O)c1ccncc1 1f895db4e7084cce9c369909872cb36b [0,2,0,0,0,0|1,0,0]=3 4599 B12R1.30 OCNC[C@@H](O)c1ccccc1 6b625a35862ee45205a70adf222a9a23 [0,2,0,0,0,0|0,0,0]=2 4600 B12R1.30 OCNC[C@H](O)c1ccccc1 a19c64470da13d711a93a5da873610b8 [0,2,0,0,0,0|0,0,0]=2 4601 B12R1.30 O[C@@H](CNCF)c1ccccc1 17594babf953eee0d2b4c962daa025ce [0,2,0,0,0,0|1,0,0]=3 4602 B12R1.30 O[C@H](CNCF)c1ccccc1 1fae90a4e809b4254f08900139a841ce [0,2,0,0,0,0|1,0,0]=3 4603 B12R1.34 CC(CO)N(C)c1ccccc1 a7ee7abf471efad76d65ff005aacf1dd [0,2,0,0,0,0|1,0,0]=3 4604 B12R1.34 CC(CO)N(C)c1cccnc1 7fab529fa88240be5b7c65c3182910e1 [0,2,0,0,0,0|2,0,0]=4 4605 B12R1.34 CC(CO)N(C)c1ccncc1 18977910eec3c1bbadd3eb21abf44651 [0,2,0,0,0,0|2,0,0]=4 4606 B12R1.34 CC(c1ccccn1)N(C)CO 3d9a740e19e6f0528378c7eda90c604c [0,2,0,0,0,0|2,0,0]=4 4607 B12R1.34 CC(c1ccncc1)N(C)CO a7770587018126a41da4df23d67a9cf4 [0,2,0,0,0,0|2,0,0]=4 4608 B12R1.34 CN(C(=O)CO)c1ccccc1 92a87ead36fd016ea91f9e7ab45bfb02 [0,2,0,0,0,0|1,0,1]=4 4609 B12R1.34 C[C@@H](CO)N(C)c1ccccc1 96b24e6691fa0d3459c276c6ca2c2615 [0,2,0,0,0,0|1,0,0]=3 4610 B12R1.34 C[C@@H](CO)N(C)c1cccnc1 b1c6c5f782ac21b7f9a8a54582e4c438 [0,2,0,0,0,0|2,0,0]=4 4611 B12R1.34 C[C@@H](c1ccncc1)N(C)CO 94c5c36d3ab85028872e70aa157414f1 [0,2,0,0,0,0|2,0,0]=4 4612 B12R1.34 C[C@H](CO)N(C)c1ccccc1 a37c707a1c025793f08fdf6588fbc88b [0,2,0,0,0,0|1,0,0]=3 4613 B12R1.34 C[C@H](CO)N(C)c1cccnc1 0aa06d0f54ef124a8bab95122479b46c [0,2,0,0,0,0|2,0,0]=4 4614 B12R1.39 CC(C)(NCF)c1ccccc1 edbd04c0a40b008dee076ea6123b2a3a [0,2,0,0,0,0|2,0,0]=4 4615 B12R1.39 CC(C)(NCO)c1ccccc1 fb4c7e5860e9a5887317ede564ff1468 [0,2,0,0,0,0|1,0,0]=3 4616 B12R1.39 CC(C)(NCO)c1ccccn1 8e966f859b47b6b8d8f78feee4d9e37c [0,2,0,0,0,0|2,0,0]=4 4617 B12R1.39 CC(C)(NCO)c1cccnc1 7a518b0e55c2e5095ce0833402b0f463 [0,2,0,0,0,0|2,0,0]=4 4618 B12R1.39 CC(C)(NCO)c1ccncc1 9519e1f3be0eb480db7074aecfedb810 [0,2,0,0,0,0|2,0,0]=4 4619 B12R1.39 CC(C)(OCF)c1ccccc1 4b3fad123409f56f69ec037047272502 [0,2,0,0,0,0|2,0,0]=4 4620 B12R1.39 CCNC(C)(C)c1ccccc1 2e6683f6142d34cb9ce8cfe15a82fe01 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.39 CCOC(C)(C)c1ccccc1 5bcc79794e808b87e35ba44c1bb3e6b7 [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.107 CC(C)CN(C)c1ccccc1 95fef0ba310b862ee7742e989aa00371 [0,2,0,0,0,0|2,0,0]=4 4623 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [0,2,0,0,0,0|2,0,0]=4 4626 B12R1.107 CC(O)CN(C)c1ccccc1 f96f86be852a8f681918c1e7f925b14c [0,2,0,0,0,0|1,0,0]=3 4627 B12R1.107 CC(O)CN(C)c1cccnc1 d715257cc205a3ad1ba2a7c44829d24d [0,2,0,0,0,0|2,0,0]=4 4628 B12R1.107 CC(O)CN(C)c1ccncc1 e695f10b7dfeea1b5f1e680bb57e7ff7 [0,2,0,0,0,0|2,0,0]=4 4629 B12R1.107 CN(CC(=O)O)c1ccccc1 858f8808a1d727235e14bdbf7ff6ac3d [0,2,0,0,0,0|1,0,1]=4 4630 B12R1.107 CN(CC(F)F)c1ccccc1 05f004b3b4c4b69f1581d75ed67c7356 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.107 C[C@H](O)CN(C)c1ccccc1 623c379093f4d5c87dbfc7a6a5452bce [0,2,0,0,0,0|1,0,0]=3 4632 B12R1.107 C[C@H](O)CN(C)c1cccnc1 7e2d3b3bc5bbd8f2620cee39b367bf51 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.107 C[C@H](O)CN(C)c1ccncc1 cdb081538e85a8b740b305a52424207c [0,2,0,0,0,0|2,0,0]=4 4634 B12R1.308 CC(NCF)c1ccccc1Cl 9e9fe0e13e013eac062b2d8b7a7dd641 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.308 CC(NCF)c1ccccc1F bc7168c780dd1f426d40f4f1ad262276 [0,2,0,0,0,0|2,0,0]=4 4636 B12R1.308 CC(NCO)c1ccccc1Cl 1f0c401b4ac09588d0873e8556a15d9b [0,2,0,0,0,0|1,0,0]=3 4637 B12R1.308 CC(NCO)c1ccccc1F f8af624e28cef3667af96d9d540bf774 [0,2,0,0,0,0|1,0,0]=3 4638 B12R1.308 CC(NCO)c1ccccc1I 38352b05097a6498f9c6f5e041497e5f [0,2,0,0,0,0|1,0,0]=3 4639 B12R1.308 CC(NCO)c1cccnc1Br a25c04dcc964127b383744d3e9c579fb [0,2,0,0,0,0|2,0,0]=4 4640 B12R1.308 CC(NCO)c1ccncc1Br a6315f4413fd0172e417b489eac0e142 [0,2,0,0,0,0|2,0,0]=4 4641 B12R1.308 CC(NCO)c1ccncc1Cl 9a26ab0a60511363bf8622c177ce1a42 [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.308 CC(NCO)c1ccncc1F 20a00791a57bad276f50363e4e0e9cdd [0,2,0,0,0,0|2,0,0]=4 4643 B12R1.308 CCCN(C)c1ccccc1C 73001c2aed106e7b28af99b1d028c245 [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.308 CCCN(C)c1ccccc1F c8eaad67375959ac89e6c1bbf087169d [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.308 CCNC(C)c1ccccc1C 0883f4cb3ceebac2afc1d8b1d74757fe [0,2,0,0,0,0|2,0,0]=4 4646 B12R1.308 CCNC(C)c1ccccc1Cl e4c014f93d31b2cbe46d458b32f53e09 [0,2,0,0,0,0|2,0,0]=4 4647 B12R1.308 CCNC(C)c1ccccc1F f7d95a3361fedbbb65f99a2acb41e413 [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.308 CCNC(C)c1ccccc1I 644333e054a6c1bf2e43ef800eb6ccf0 [0,2,0,0,0,0|2,0,0]=4 4649 B12R1.308 CCN[C@@H](C)c1ccccc1C 8d3fac06d9fd721c033cdce6debd1b11 [0,2,0,0,0,0|2,0,0]=4 4650 B12R1.308 CCN[C@@H](C)c1ccccc1Cl 099142b233a887b54f0becdabd5e841f [0,2,0,0,0,0|2,0,0]=4 4651 B12R1.308 CCN[C@@H](C)c1ccccc1F d09734bb90b2604a0ef3d53cf89c9061 [0,2,0,0,0,0|2,0,0]=4 4652 B12R1.308 CCN[C@H](C)c1ccccc1C 932b5a6a4e53b1370f118a04ec8aea7a [0,2,0,0,0,0|2,0,0]=4 4653 B12R1.308 CCN[C@H](C)c1ccccc1Cl 638f0775df6296d8f14ee24c8a8e2394 [0,2,0,0,0,0|2,0,0]=4 4654 B12R1.308 CCN[C@H](C)c1ccccc1F 769010e7a9b6e656b36dc7b095841e4f [0,2,0,0,0,0|2,0,0]=4 4655 B12R1.308 CCOC(C)c1ccccc1Cl 41900255e15d067e87f6ea562416138f [0,2,0,0,0,0|2,0,0]=4 4656 B12R1.308 CCO[C@@H](C)c1ccccc1Cl 0d253b912a6e6c7137bdc641619c139f [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.308 CCO[C@H](C)c1ccccc1Cl fec58acae71ef20f9f3b3ae583319a6c [0,2,0,0,0,0|2,0,0]=4 4658 B12R1.308 CN(CCO)c1c[nH]ccc1=O 2e709df73df3f743fa0ca2544f26f534 [0,2,0,0,0,0|2,0,0]=4 4659 B12R1.308 CN(CCO)c1c[nH]ccc1=S 179f5e3f430dc5c838f7cd88c18b7ce9 [0,2,0,0,0,0|2,0,0]=4 4660 B12R1.308 CN(CCO)c1ccccc1F 37d143c16f186bf80511b9ea0982cdce [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.308 CN(CCO)c1cccnc1Br 37584e819c13754955aa7f783fb56253 [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.308 CN(CCO)c1cccnc1Cl c4eb24b352fb4b923d6c27d3cb4945de [0,2,0,0,0,0|2,0,0]=4 4663 B12R1.308 CN(CCO)c1cccnc1F 876f7b72c574f8204df1853e6f968422 [0,2,0,0,0,0|2,0,0]=4 4664 B12R1.308 CN(CCO)c1ccncc1Br 5f246cc6e1ea81799e6b4613a2c02ca0 [0,2,0,0,0,0|2,0,0]=4 4665 B12R1.308 CN(CCO)c1ccncc1Cl 43868c53b8c30492fdae442ee3ef78be [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.308 CN(CCO)c1ccncc1F e82f353f68848dbbfd88fcdc863826c8 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.308 CN(CCO)c1ccncc1I b0c9c40f6f6809fe1627ff7bb6cfbeff [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.308 CN(CCO)c1cnccc1Cl 569076e05993a90850abb2f1d1a14491 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.308 CN(CCO)c1cnccc1F 3a89233425ce58389ace7d3d4a5698e1 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.308 CN(CCO)c1ncccc1Cl 70229c06e03fb12668ee40a53f998605 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.308 CN(CCO)c1ncccc1I cad84cad3315c06f29d3c6485f625629 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.308 CN(CCS)c1ccccc1Cl 723b6d1b97ecf7334956dea9762e0c24 [0,2,0,0,0,0|1,1,0]=4 4673 B12R1.308 CN(CCS)c1ccccc1F 1f25244699ea49bedb25c68e35e6ff38 [0,2,0,0,0,0|1,1,0]=4 4674 B12R1.308 C[C@@H](NCF)c1ccccc1Cl 51642ddac9d75373cd8664448de5d444 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.308 C[C@@H](NCF)c1ccccc1F b81aeb75f26e45e22f353f1bd6575e41 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.308 C[C@@H](NCO)c1ccccc1Cl 68a5f9299e56d3cba8de039d6c35a0ca [0,2,0,0,0,0|1,0,0]=3 4677 B12R1.308 C[C@@H](NCO)c1ccccc1F b0e26e577d860ef89a5b9152b45e88a6 [0,2,0,0,0,0|1,0,0]=3 4678 B12R1.308 C[C@H](NCF)c1ccccc1Cl 094e58320907c1b0aa41fb5b0fe49532 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.308 C[C@H](NCF)c1ccccc1F 46b0c636a8e762dba88dbd01f126e091 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.308 C[C@H](NCO)c1ccccc1Cl 6721150152565c45045c8d7226931c07 [0,2,0,0,0,0|1,0,0]=3 4681 B12R1.308 C[C@H](NCO)c1ccccc1F 843364a70a090624fe16305422e066fd [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.308 Cc1ccccc1C(C)NCF 712d68dc5be0f64eecf9aa66b715e0c2 [0,2,0,0,0,0|2,0,0]=4 4683 B12R1.308 Cc1ccccc1C(C)NCO 6c3894b72e4dae93ee5dc306d60ad36c [0,2,0,0,0,0|1,0,0]=3 4684 B12R1.308 Cc1ccccc1N(C)CCO 80f6861252f95d5dcf1238c7389dc7e7 [0,2,0,0,0,0|1,0,0]=3 4685 B12R1.308 Cc1ccccc1N(C)CCS c756b68f534c63c80b8d9ddc89a788c5 [0,2,0,0,0,0|1,1,0]=4 4686 B12R1.308 Cc1ccccc1[C@@H](C)NCF 6cf924335d2b2f2d251ce6315911000f [0,2,0,0,0,0|2,0,0]=4 4687 B12R1.308 Cc1ccccc1[C@@H](C)NCO b8dd4b9d69a2c456fde4fd3e7fd35a7b [0,2,0,0,0,0|1,0,0]=3 4688 B12R1.308 Cc1ccccc1[C@H](C)NCF f232a12683e4a16bb4cd1a09dc433efa [0,2,0,0,0,0|2,0,0]=4 4689 B12R1.308 Cc1ccccc1[C@H](C)NCO 7e8be47cb87e472d5897ef53423fefc4 [0,2,0,0,0,0|1,0,0]=3 4690 B12R1.308 Cc1cccnc1C(C)NCO 7afc4ac36b9225f35fe514829bc9a6e9 [0,2,0,0,0,0|2,0,0]=4 4691 B12R1.308 Cc1cccnc1N(C)CCO 779dd00a6402609e5a14cbcfc06859fa [0,2,0,0,0,0|2,0,0]=4 4692 B12R1.308 Cc1cccnc1[C@@H](C)NCO 66356e6c5e78bc0832904ec05ac5f879 [0,2,0,0,0,0|2,0,0]=4 4693 B12R1.308 Cc1ccncc1N(C)CCO 6a280de18dddb8ac1f3dc618f9b379b6 [0,2,0,0,0,0|2,0,0]=4 4694 B12R1.308 Cc1ncccc1C(C)NCO 1faeb4276d6d218b9b44c8807b52b0a1 [0,2,0,0,0,0|2,0,0]=4 4695 B12R1.308 Cc1ncccc1N(C)CCO 70d22a6b8cfcee21c10be66f01ef4ace [0,2,0,0,0,0|2,0,0]=4 4696 B12R1.25 CCCNc1cccc(c1Br)C 770780c7338a7530cde3d24e2efce410 [0,2,0,0,0,0|2,0,0]=4 4697 B12R1.25 CCCNc1cccc(c1Br)Cl f31276a8b59074caef69be3dcf947d2e [0,2,0,0,0,0|2,0,0]=4 4698 B12R1.25 CCCNc1cccc(c1Br)F 02bcd942237fe57033a243c40ac26059 [0,2,0,0,0,0|2,0,0]=4 4699 B12R1.25 CCCNc1cccc(c1C)C 97a8386687b09a67d8a90226a668fdeb [0,2,0,0,0,0|2,0,0]=4 4700 B12R1.25 CCCNc1cccc(c1C)Cl bc6f641192be0337029dfcce2df042e4 [0,2,0,0,0,0|2,0,0]=4 4701 B12R1.25 CCCNc1cccc(c1C)F 89a081e13c9a18e590ed98c2ff26ab83 [0,2,0,0,0,0|2,0,0]=4 4702 B12R1.25 CCCNc1cccc(c1C)I 9c974f80f36ea6046ee943d1a70cc7df [0,2,0,0,0,0|2,0,0]=4 4703 B12R1.25 CCCNc1cccc(c1Cl)C fde543649405e4c12543338d17fd03b2 [0,2,0,0,0,0|2,0,0]=4 4704 B12R1.25 CCCNc1cccc(c1Cl)Cl bf99dc66ec9cece02e610eca816ef394 [0,2,0,0,0,0|2,0,0]=4 4705 B12R1.25 CCCNc1cccc(c1Cl)F 3f023580b6c9f2222aa01fccf099bb27 [0,2,0,0,0,0|2,0,0]=4 4706 B12R1.25 CCCNc1cccc(c1Cl)I f9222fc245c8235cf0cbc3d1fe9d6986 [0,2,0,0,0,0|2,0,0]=4 4707 B12R1.25 CCCNc1cccc(c1F)C 229a3dd8588ed7b90abbed086b714486 [0,2,0,0,0,0|2,0,0]=4 4708 B12R1.25 CCCNc1cccc(c1F)Cl 5ba1d918d566280f703862620e8ebdfd [0,2,0,0,0,0|2,0,0]=4 4709 B12R1.25 CCCNc1cccc(c1F)F 5fd4c4f4f460dec8a16e70bad8bf8cc5 [0,2,0,0,0,0|2,0,0]=4 4710 B12R1.25 CCCNc1cccc(c1F)I 3e15d572fd6bb21ee3be3365731bc066 [0,2,0,0,0,0|2,0,0]=4 4711 B12R1.25 CCCNc1cccc(c1I)C 2e55cc9a7cbaf2e383ac5783dfbbe7ad [0,2,0,0,0,0|2,0,0]=4 4712 B12R1.25 CCCNc1cccc(c1I)Cl 94b02b6917c99c1fdb855960ba129fe3 [0,2,0,0,0,0|2,0,0]=4 4713 B12R1.25 CCCNc1cccc(c1I)F 061eeac99cd83b35d54ea0fbe1fe006c [0,2,0,0,0,0|2,0,0]=4 4714 B12R1.25 CCCNc1cccc(c1N)N efe7b95ff263293561021b15f933a6ef [0,2,0,0,0,0|2,0,0]=4 4715 B12R1.25 CCCOc1cccc(c1Br)C 0bf69b38602deb88d5269dfa7070c632 [0,2,0,0,0,0|2,0,0]=4 4716 B12R1.25 CCCOc1cccc(c1Br)Cl b3752207b657b24caf0be5aae9cb0688 [0,2,0,0,0,0|2,0,0]=4 4717 B12R1.25 CCCOc1cccc(c1Br)F 5c97bc551005776e8da71676c9171a87 [0,2,0,0,0,0|2,0,0]=4 4718 B12R1.25 CCCOc1cccc(c1Br)I 93034c6201e7bcfab23dfdbab558a319 [0,2,0,0,0,0|2,0,0]=4 4719 B12R1.25 CCCOc1cccc(c1C)Br 3c39a34e01f31c016903f593bde70103 [0,2,0,0,0,0|2,0,0]=4 4720 B12R1.25 CCCOc1cccc(c1C)C 77186d5049b5f52b0bb0f3d5c23e7722 [0,2,0,0,0,0|2,0,0]=4 4721 B12R1.25 CCCOc1cccc(c1C)Cl b1e5c0908d926b858fdbcee1d0f2b28c [0,2,0,0,0,0|2,0,0]=4 4722 B12R1.25 CCCOc1cccc(c1C)F 6aebd3e03a0f702504ff700f113b1676 [0,2,0,0,0,0|2,0,0]=4 4723 B12R1.25 CCCOc1cccc(c1C)I 3dd75aedb45b00e57497c75b291119b5 [0,2,0,0,0,0|2,0,0]=4 4724 B12R1.25 CCCOc1cccc(c1Cl)C 177802219e4a3790c6ac8ccd6fdc6f5e [0,2,0,0,0,0|2,0,0]=4 4725 B12R1.25 CCCOc1cccc(c1Cl)Cl 77f707ea7d3c9ba6b80e028aa3468907 [0,2,0,0,0,0|2,0,0]=4 4726 B12R1.25 CCCOc1cccc(c1Cl)F 47cb4c8dc2bdd9e47e2aff77487099e1 [0,2,0,0,0,0|2,0,0]=4 4727 B12R1.25 CCCOc1cccc(c1Cl)I 5574582c54256992881a418d62e8e15c [0,2,0,0,0,0|2,0,0]=4 4728 B12R1.25 CCCOc1cccc(c1F)C f286ee18de3d4031f059861e14818656 [0,2,0,0,0,0|2,0,0]=4 4729 B12R1.25 CCCOc1cccc(c1F)Cl bc07f7d4bd3e2f9cf6825b91ee170bd5 [0,2,0,0,0,0|2,0,0]=4 4730 B12R1.25 CCCOc1cccc(c1F)F 5217d0d65b9a758b7fc6b7907ba3c030 [0,2,0,0,0,0|2,0,0]=4 4731 B12R1.25 CCCOc1cccc(c1F)I f31809a977514507b48e1504a08ca4ff [0,2,0,0,0,0|2,0,0]=4 4732 B12R1.25 CCCOc1cccc(c1I)C af92a91065b3f6ed4af89aab9bb7216c [0,2,0,0,0,0|2,0,0]=4 4733 B12R1.25 CCCOc1cccc(c1I)Cl e0cffdcbb27e09a4a42b1cb2ddb255c0 [0,2,0,0,0,0|2,0,0]=4 4734 B12R1.25 CCCOc1cccc(c1I)F ecf5b8a29820fefe2ece01d37bda8210 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.25 CCNCc1cccc(c1Br)C 8a439411dad3155cd651c8e9786a3aff [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.25 CCNCc1cccc(c1Br)F 0f79092d41af531a79ced3c8c3cb44b1 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.25 CCNCc1cccc(c1Br)I 258114970e6dbba1a235878aa00d0b39 [0,2,0,0,0,0|2,0,0]=4 4738 B12R1.25 CCNCc1cccc(c1C)Br 22ff1b4bd3f19ca36832a2146acc48af [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.25 CCNCc1cccc(c1C)C d1d8a08dab241336adc4e7cf6dd2e8c8 [0,2,0,0,0,0|2,0,0]=4 4740 B12R1.25 CCNCc1cccc(c1C)Cl 8a50f1770a06d398b726602889430f2d [0,2,0,0,0,0|2,0,0]=4 4741 B12R1.25 CCNCc1cccc(c1C)F 81f2623e7634e99cac8145b0bd75d10c [0,2,0,0,0,0|2,0,0]=4 4742 B12R1.25 CCNCc1cccc(c1Cl)Br 2d127f3ff3f889a169c67d48ed429fca [0,2,0,0,0,0|2,0,0]=4 4743 B12R1.25 CCNCc1cccc(c1Cl)C 4a3bdbd600331e6009cec4a0c88116ed [0,2,0,0,0,0|2,0,0]=4 4744 B12R1.25 CCNCc1cccc(c1Cl)Cl d311bc98968f1326eabdf69c622cfc24 [0,2,0,0,0,0|2,0,0]=4 4745 B12R1.25 CCNCc1cccc(c1Cl)F 56e21fbb0a5fc9176a4ab08aead46833 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.25 CCNCc1cccc(c1Cl)I 02dad398c7cf29bf2892d48e7d054ded [0,2,0,0,0,0|2,0,0]=4 4747 B12R1.25 CCNCc1cccc(c1F)Br 20e8944dbbb9863fb8f63ed20f524bd5 [0,2,0,0,0,0|2,0,0]=4 4748 B12R1.25 CCNCc1cccc(c1F)C e0c999795a20cb69f73bc0fa341275d9 [0,2,0,0,0,0|2,0,0]=4 4749 B12R1.25 CCNCc1cccc(c1F)Cl ccbc62948855b8cb70b73c0045e73058 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.25 CCNCc1cccc(c1F)F 201ac55dad965d8412f8eb7d65040393 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.25 CCOCc1cccc(c1Br)C 4c787aff9be56bdae1833db245dad2f8 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.25 CCOCc1cccc(c1Br)Cl b4656763f9f99531c8e29235338b0b62 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.25 CCOCc1cccc(c1Br)F 0a7439157802071a74b27b1e28699eb1 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.25 CCOCc1cccc(c1Br)I d54bbe1dfd5e437d2cb260858a8e9483 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.25 CCOCc1cccc(c1C)Br ff04a8eeaee06377da8e7e5d16b20638 [0,2,0,0,0,0|2,0,0]=4 4756 B12R1.25 CCOCc1cccc(c1C)C 7beb5d5eab51375598796f0ea69b2f20 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.25 CCOCc1cccc(c1C)Cl d77d068b6558330d7d82d110daa54070 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.25 CCOCc1cccc(c1C)F 9ed97897d6bb3ee0563338343378aa62 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.25 CCOCc1cccc(c1C)I a64fbd464ddd6a3f161c82a1eef2a488 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.25 CCOCc1cccc(c1Cl)C 0d24d33db447f99d1211968d00c21a62 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.25 CCOCc1cccc(c1Cl)Cl 2cb46e81a11d80a918ee4a6e2c837d33 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.25 CCOCc1cccc(c1Cl)F cc5746b78083e5df0d8dddc051f45157 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.25 CCOCc1cccc(c1F)C 2319c6db0cb526d69d3f50935d5bb3a4 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.25 CCOCc1cccc(c1F)Cl 43d53f73e3c80dce35eca093808aa42e [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.25 CCOCc1cccc(c1F)F 932d513dd1b0858f4c8d7f1804255f65 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.25 CCOCc1cccc(c1F)I 363096b52b190c95a8a04872b2c6c6a8 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.25 CCOCc1cccc(c1I)Br 865fc8747703122573b70e381d9740b5 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.25 CCOCc1cccc(c1I)C 9ad145c52761cc8220981426af61fe22 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.25 CCOCc1cccc(c1I)F db68d2463b2ff62d50e7360372570790 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.25 Cc1c(cccc1CNCF)Br 559906749b302e86871a642011c64a78 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.25 Cc1c(cccc1CNCF)Cl f36bbf01beeab01999c42a7e462119fb [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.25 Cc1c(cccc1CNCF)F 5b4dea2f12ac455082076e6a74fbd74f [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.25 Cc1c(cccc1CNCO)Br 8b3eeee87f6d90a8f5dee362867713cd [0,2,0,0,0,0|1,0,0]=3 4774 B12R1.25 Cc1c(cccc1CNCO)Cl cc29faf4fe02a330e768864a08f80dd1 [0,2,0,0,0,0|1,0,0]=3 4775 B12R1.25 Cc1c(cccc1CNCO)F 37135411cbfa8c201ade6464c814e270 [0,2,0,0,0,0|1,0,0]=3 4776 B12R1.25 Cc1c(cccc1COCF)Br 30177f6252f162f7355ef6b291f0e1a2 [0,2,0,0,0,0|2,0,0]=4 4777 B12R1.25 Cc1c(cccc1COCF)Cl 0562f3cf17fafa2e297b02346e08ec62 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.25 Cc1c(cccc1COCF)F 6008d8cc7025b5b0cbf0f388eea5a994 [0,2,0,0,0,0|2,0,0]=4 4779 B12R1.25 Cc1c(cccc1COCF)I 39550adc23e9cf5bea49e7d43d478f9e [0,2,0,0,0,0|2,0,0]=4 4780 B12R1.25 Cc1c(cccc1NCCF)Cl a5b824fedb74089a26afed1c72d1bb09 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.25 Cc1c(cccc1NCCF)F ba2ee0a66d5e09496af4381461562305 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.25 Cc1c(cccc1NCCF)I 8f6093505d46a99a61b75ae236814a38 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.25 Cc1c(cccc1NCCO)Cl 23d07f4704f331f04e60155d167433d6 [0,2,0,0,0,0|1,0,0]=3 4784 B12R1.25 Cc1c(cccc1NCCO)F a051a671a9865a67ee13a7f664e26666 [0,2,0,0,0,0|1,0,0]=3 4785 B12R1.25 Cc1c(cccc1NCCO)I efd43fbf7f76f8f08d661c92b7ed18be [0,2,0,0,0,0|1,0,0]=3 4786 B12R1.25 Cc1c(cccc1NCCS)Cl b980544f452524ddcf5e0744f1a2acd4 [0,2,0,0,0,0|1,1,0]=4 4787 B12R1.25 Cc1c(cccc1NCCS)F 8e376f9cf5695bbb9fa3c573105ae298 [0,2,0,0,0,0|1,1,0]=4 4788 B12R1.25 Cc1c(cccc1NCCS)I bfe8ea9bb526ab7f8a835580f6728e46 [0,2,0,0,0,0|1,1,0]=4 4789 B12R1.25 Cc1c(cccc1OCCF)Br 46cbff214a4cb65ba5f47146321ec8da [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.25 Cc1c(cccc1OCCF)Cl 05bb8f6169db227a0898266d5d682123 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.25 Cc1c(cccc1OCCF)F 7d991b8246a79881bb8e8182350703a1 [0,2,0,0,0,0|2,0,0]=4 4792 B12R1.25 Cc1c(cccc1OCCF)I 637b72a2476d0b14fb51978c72123554 [0,2,0,0,0,0|2,0,0]=4 4793 B12R1.25 Cc1c(cccc1OCCS)Br adebef28dca461459110df9841b72687 [0,2,0,0,0,0|1,1,0]=4 4794 B12R1.25 Cc1c(cccc1OCCS)Cl c3ed341e3209275912f78bc47548f717 [0,2,0,0,0,0|1,1,0]=4 4795 B12R1.25 Cc1c(cccc1OCCS)F 13c6ec3c21155a5caa44174418bfb67c [0,2,0,0,0,0|1,1,0]=4 4796 B12R1.25 Cc1c(cccc1OCCS)I 0481ebeb9b9daa8297ecbb457aa0e59d [0,2,0,0,0,0|1,1,0]=4 4797 B12R1.25 Cc1c(ccnc1Br)NCCO 55a256456786388fb58e14dcb2e27ae6 [0,2,0,0,0,0|2,0,0]=4 4798 B12R1.25 Cc1c(ccnc1Cl)NCCO 106ee3ae2c7730776f69d8e49e6abc4c [0,2,0,0,0,0|2,0,0]=4 4799 B12R1.25 Cc1c(ccnc1F)NCCO ca875e2b467c886a3ad57fe2c26ebac3 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.25 Cc1c(ccnc1NCCO)Br 01389a99eee55bbadadf33022e1747ab [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.25 Cc1c(ccnc1NCCO)Cl 82a63c66dc75869047666a38b5aa3254 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.25 Cc1c(ccnc1NCCO)F 3085874b03eb582b0ba0e51c7cdd78b7 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.25 Cc1c(ccnc1NCCO)I a485a6a70d279e367205346f8d79ebcb [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.25 Cc1c(cncc1NCCO)Br 3719117cc55ae7d908466bbe07e44784 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.25 Cc1c(cncc1NCCO)Cl b425ee66446a049afa1ae32958c1ac5d [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.25 Cc1c(cncc1NCCO)F ce80c2adeb94fbe9c15a3f2d763d7693 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.25 Cc1cccc([n+]1[O-])NCCO 84722c0bda5e854bc4c3af4320dfdd18 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.25 Cc1cccc(c1Br)CNCF c65c7110d92312ebeb9f439d87c55f1d [0,2,0,0,0,0|2,0,0]=4 4809 B12R1.25 Cc1cccc(c1Br)CNCO ab5ae6d1916ac950aa556baf9bd1db5b [0,2,0,0,0,0|1,0,0]=3 4810 B12R1.25 Cc1cccc(c1Br)COCF 638bb4d4ede73a29e9947b22e98d702c [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.25 Cc1cccc(c1Br)NCCF 504cb62339e5eab022756d7e62b91baf [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.25 Cc1cccc(c1Br)NCCO 0e2efc9afba54b395c7295c465f0c0b8 [0,2,0,0,0,0|1,0,0]=3 4813 B12R1.25 Cc1cccc(c1Br)NCCS 4d85a4d07c3c63c42ed197d341037e2b [0,2,0,0,0,0|1,1,0]=4 4814 B12R1.25 Cc1cccc(c1Br)OCCF 23834fe07c70587a85d54e5114077482 [0,2,0,0,0,0|2,0,0]=4 4815 B12R1.25 Cc1cccc(c1Br)OCCS c6b3f2f40bb87077bed93c8ff965690b [0,2,0,0,0,0|1,1,0]=4 4816 B12R1.25 Cc1cccc(c1C)CNCF a54b75a9d9fe7d7efd22456f26906f5c [0,2,0,0,0,0|2,0,0]=4 4817 B12R1.25 Cc1cccc(c1C)CNCO 27ef957211ecd93964ecefd27153a30d [0,2,0,0,0,0|1,0,0]=3 4818 B12R1.25 Cc1cccc(c1C)COCF 4e613826b2bb8a7914e81093513cc2cb [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.25 Cc1cccc(c1C)NCCF 682b712bf72abf9b0c42165df7a85675 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.25 Cc1cccc(c1C)NCCO 7555c5a32d83a455e40345f112dd96c7 [0,2,0,0,0,0|1,0,0]=3 4821 B12R1.25 Cc1cccc(c1C)NCCS e646faee9d046737b65190df55b7b283 [0,2,0,0,0,0|1,1,0]=4 4822 B12R1.25 Cc1cccc(c1C)OCCF 7e2977889a102861691cb236dc9973d1 [0,2,0,0,0,0|2,0,0]=4 4823 B12R1.25 Cc1cccc(c1C)OCCS 8155b5b8c0d63e0eaf533996d0f1c0ce [0,2,0,0,0,0|1,1,0]=4 4824 B12R1.25 Cc1cccc(c1Cl)CNCF 9ef336d6d0140660b62ed5f2d42cd5a1 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.25 Cc1cccc(c1Cl)CNCO 4245d4de51ecda82132bd4a58ecb332c [0,2,0,0,0,0|1,0,0]=3 4826 B12R1.25 Cc1cccc(c1Cl)COCF a054a9a6375e41c2f099df57fcba5a80 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.25 Cc1cccc(c1Cl)NCCF d71d3c66b34211c153e45f159b5e404a [0,2,0,0,0,0|2,0,0]=4 4828 B12R1.25 Cc1cccc(c1Cl)NCCO b3a8351f96b8ec07664e67517a8df963 [0,2,0,0,0,0|1,0,0]=3 4829 B12R1.25 Cc1cccc(c1Cl)NCCS a679482ddba5224b3cde261876a78a05 [0,2,0,0,0,0|1,1,0]=4 4830 B12R1.25 Cc1cccc(c1Cl)OCCF fabb9001cb2b399e426be721ae02b301 [0,2,0,0,0,0|2,0,0]=4 4831 B12R1.25 Cc1cccc(c1Cl)OCCS 191287aa952143f77b2ef51bf0188194 [0,2,0,0,0,0|1,1,0]=4 4832 B12R1.25 Cc1cccc(c1F)CNCF 7c6e487e1de1628a97ec26d9630f4218 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.25 Cc1cccc(c1F)CNCO f6e7268a482c8db9e674e0604c622c06 [0,2,0,0,0,0|1,0,0]=3 4834 B12R1.25 Cc1cccc(c1F)COCF 64d9cd5c6948482f4e511c700d77916b [0,2,0,0,0,0|2,0,0]=4 4835 B12R1.25 Cc1cccc(c1F)NCCF e4f15e976957e398ca4c7bd25d708862 [0,2,0,0,0,0|2,0,0]=4 4836 B12R1.25 Cc1cccc(c1F)NCCO 882f438a8693856bc8c79c0fc328870b [0,2,0,0,0,0|1,0,0]=3 4837 B12R1.25 Cc1cccc(c1F)NCCS 7702afcfdb924cf725f44b4fa8fe3513 [0,2,0,0,0,0|1,1,0]=4 4838 B12R1.25 Cc1cccc(c1F)OCCF 9e52f242a27a55ce1ec13fcd33add04c [0,2,0,0,0,0|2,0,0]=4 4839 B12R1.25 Cc1cccc(c1F)OCCS bea220f95025c11903d0aa4671b4fdd2 [0,2,0,0,0,0|1,1,0]=4 4840 B12R1.25 Cc1cccc(c1I)COCF b97187f9ee1c7a1b26e5db4f8138bf19 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.25 Cc1cccc(c1I)NCCF 90eae56672f0ad2126f1ea21fa4ce275 [0,2,0,0,0,0|2,0,0]=4 4842 B12R1.25 Cc1cccc(c1I)NCCO 19ee4ad420c1b7b02c9bec83f2e755a8 [0,2,0,0,0,0|1,0,0]=3 4843 B12R1.25 Cc1cccc(c1I)NCCS afb93bdb2a2d14353e5afa6a17fcf8ef [0,2,0,0,0,0|1,1,0]=4 4844 B12R1.25 Cc1cccc(c1I)OCCF d0d93a811ec228984582163d56285dcd [0,2,0,0,0,0|2,0,0]=4 4845 B12R1.25 Cc1cccc(c1I)OCCS aaf962f689555dddf303ea59bc5a8c51 [0,2,0,0,0,0|1,1,0]=4 4846 B12R1.25 Cc1ccnc(c1Br)NCCO 75ba94a9ff473c82bf4fb1ae46b4d875 [0,2,0,0,0,0|2,0,0]=4 4847 B12R1.25 Cc1ccnc(c1C)NCCO 324a4a78fa303159fe5607dd698d10f5 [0,2,0,0,0,0|2,0,0]=4 4848 B12R1.25 Cc1ccnc(c1Cl)NCCO 7e1a5a9dd0654480e5f69854e5f588d0 [0,2,0,0,0,0|2,0,0]=4 4849 B12R1.25 Cc1ccnc(c1F)CNCO 4641250dc1f6f59157c3300126c7c671 [0,2,0,0,0,0|2,0,0]=4 4850 B12R1.25 Cc1ccnc(c1F)NCCO 63bd80ac4083623e7c6ff83201609b44 [0,2,0,0,0,0|2,0,0]=4 4851 B12R1.25 Cc1ccnc(c1I)NCCO 44eb485520a7e3122be5b9d5a0e43337 [0,2,0,0,0,0|2,0,0]=4 4852 B12R1.25 Cc1nccc(c1Br)NCCO 8192818dde2ffb924360e2b4cf43fd61 [0,2,0,0,0,0|2,0,0]=4 4853 B12R1.25 Cc1nccc(c1C)NCCO cf44825bf1a77bb9ef877d4e83ac6dc4 [0,2,0,0,0,0|2,0,0]=4 4854 B12R1.25 Cc1nccc(c1Cl)NCCO 362cad9e7fb6cd1b451d62ab26ae64f6 [0,2,0,0,0,0|2,0,0]=4 4855 B12R1.25 Cc1nccc(c1F)NCCO d8681efa3b8480ba5a4eb2c36d6b8186 [0,2,0,0,0,0|2,0,0]=4 4856 B12R1.25 Cc1nccc(c1I)NCCO 43017ee96e26cf875faa5d248411413a [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.25 Cn1c(cccc1=O)NCCO 6806fd41e9b8ea270660d29f2223d2bf [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.25 Cn1cccc(c1=O)CNCO ac4823a744872c2dc477458c96e986b9 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.25 Cn1cccc(c1=O)NCCO 416a034f2541f41eda1994020e03763e [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.25 FCCNc1cccc(c1Br)Cl 2c4922e81bc40da70c6c64ae9add2c86 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.25 FCCNc1cccc(c1Br)F 8abcd25ffd8ca12b4342f23ed3bc5755 [0,2,0,0,0,0|2,0,0]=4 4862 B12R1.25 FCCNc1cccc(c1Br)I d6b4a4cfc5140debd123a53770e0e628 [0,2,0,0,0,0|2,0,0]=4 4863 B12R1.25 FCCNc1cccc(c1Cl)Cl 82db61f9118dd10dca561c2d00fd84d9 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.25 FCCNc1cccc(c1Cl)F 961b0443693dc23a22f0c32cfca4d63e [0,2,0,0,0,0|2,0,0]=4 4865 B12R1.25 FCCNc1cccc(c1Cl)I f9be904acaafefc13fc4d23d4c138263 [0,2,0,0,0,0|2,0,0]=4 4866 B12R1.25 FCCNc1cccc(c1F)Cl 48d298b892b333e4bf6e71fb476b7043 [0,2,0,0,0,0|2,0,0]=4 4867 B12R1.25 FCCNc1cccc(c1F)F 5a88f37915e4ace56d3451ed71240347 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.25 FCCNc1cccc(c1F)I 19add8f7ab9f43da35a4d7522f70f679 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.25 FCCNc1cccc(c1I)Cl 9207269639acda215cb0dd793e473392 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.25 FCCNc1cccc(c1I)F 3a2ac719818a182585c894cd210198e8 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.25 FCCOc1cccc(c1Br)Cl 780fb97354c291f662b19f4e40b88023 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.25 FCCOc1cccc(c1Br)F 43427c33f7a664eb92fbb571a402e509 [0,2,0,0,0,0|2,0,0]=4 4873 B12R1.25 FCCOc1cccc(c1Br)I ff17b1ccc907fbb7545d0877f0433bf0 [0,2,0,0,0,0|2,0,0]=4 4874 B12R1.25 FCCOc1cccc(c1Cl)Cl 596fb0edc94254dc97cdd2d306dddda9 [0,2,0,0,0,0|2,0,0]=4 4875 B12R1.25 FCCOc1cccc(c1Cl)F 58ecb8a21e8d511a962f3a4e23e292b7 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.25 FCCOc1cccc(c1Cl)I e721378dcf7ffbe95146ef0697fa7d8a [0,2,0,0,0,0|2,0,0]=4 4877 B12R1.25 FCCOc1cccc(c1F)Cl 14b7c864a6227d49c2ec3c93b3af6cf9 [0,2,0,0,0,0|2,0,0]=4 4878 B12R1.25 FCCOc1cccc(c1F)I 13abe9470b0f822a2968407af3489c85 [0,2,0,0,0,0|2,0,0]=4 4879 B12R1.25 FCCOc1cccc(c1I)Cl 6f7d0ff1b7242cbf13d0c6859e7a3489 [0,2,0,0,0,0|2,0,0]=4 4880 B12R1.25 FCCOc1cccc(c1I)F 4ddc611b9829fdc1b3cdb22ea069efed [0,2,0,0,0,0|2,0,0]=4 4881 B12R1.25 FCNCc1cccc(c1Br)F dea1ea75d693f44ee4a25f54c3bd93cd [0,2,0,0,0,0|2,0,0]=4 4882 B12R1.25 FCNCc1cccc(c1Br)I cc0907b703ab22a0576156b962fcd020 [0,2,0,0,0,0|2,0,0]=4 4883 B12R1.25 FCNCc1cccc(c1Cl)Cl c412c17b8b5f11ef7cea7c3559e2cfcb [0,2,0,0,0,0|2,0,0]=4 4884 B12R1.25 FCNCc1cccc(c1Cl)F fe59deb0aff7d1f47ce6d7d475ee2d42 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.25 FCNCc1cccc(c1Cl)I 62154d91249cc562a02b71bfccc6d838 [0,2,0,0,0,0|2,0,0]=4 4886 B12R1.25 FCNCc1cccc(c1F)Br 8b387490c121ec8a823ba420fa879c83 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.25 FCNCc1cccc(c1F)Cl 8e837d9ada67917d732b422d4863904e [0,2,0,0,0,0|2,0,0]=4 4888 B12R1.25 FCNCc1cccc(c1F)F 207d0078db07cf9202000a3127e49594 [0,2,0,0,0,0|2,0,0]=4 4889 B12R1.25 FCOCc1cccc(c1Br)Br 3b411e442c8f8322685168fafd76673c [0,2,0,0,0,0|2,0,0]=4 4890 B12R1.25 FCOCc1cccc(c1Br)Cl 8425b8ef472c34bdecd62e0cd2b1eb75 [0,2,0,0,0,0|2,0,0]=4 4891 B12R1.25 FCOCc1cccc(c1Br)F 64d0d0455d2513bef7c45c5b5937153a [0,2,0,0,0,0|2,0,0]=4 4892 B12R1.25 FCOCc1cccc(c1Br)I 02bc811c8490eb9ec3f61c4e8b87a442 [0,2,0,0,0,0|2,0,0]=4 4893 B12R1.25 FCOCc1cccc(c1Cl)Cl 5ba707ca7be91235777846dc6302e027 [0,2,0,0,0,0|2,0,0]=4 4894 B12R1.25 FCOCc1cccc(c1Cl)F 8d10d99c8a0384333e5fe6e8ede3a8f2 [0,2,0,0,0,0|2,0,0]=4 4895 B12R1.25 FCOCc1cccc(c1F)Br 7be581f5370841100c7f8aaef9f3abd3 [0,2,0,0,0,0|2,0,0]=4 4896 B12R1.25 FCOCc1cccc(c1F)Cl 6f2e7702ecc782969422b1997a7b26a8 [0,2,0,0,0,0|2,0,0]=4 4897 B12R1.25 FCOCc1cccc(c1F)F d0dc5c61a50774dae420f4374a73fb11 [0,2,0,0,0,0|2,0,0]=4 4898 B12R1.25 FCOCc1cccc(c1F)I 9daeb6d8540bf62b2d6997bbec03de4c [0,2,0,0,0,0|2,0,0]=4 4899 B12R1.25 FCOCc1cccc(c1I)Br 5a62d7b06025ada55e053d8f429e830f [0,2,0,0,0,0|2,0,0]=4 4900 B12R1.25 FCOCc1cccc(c1I)F 08c4b8685b43c664e62a7165826d4330 [0,2,0,0,0,0|2,0,0]=4 4901 B12R1.25 Fc1c(cccc1NCCS)Cl d15be984577f675878a35aa32db18020 [0,2,0,0,0,0|1,1,0]=4 4902 B12R1.25 Fc1c(cccc1NCCS)I dbed4478de1f75b80baea70d35dc3999 [0,2,0,0,0,0|1,1,0]=4 4903 B12R1.25 Fc1c(cccc1OCCS)Cl 0b6360f7139d9cee8bd4bab58ec7078a [0,2,0,0,0,0|1,1,0]=4 4904 B12R1.25 Fc1c(cccc1OCCS)I e2a3c4105842f087e9c9270bfdc9e3e4 [0,2,0,0,0,0|1,1,0]=4 4905 B12R1.25 Fc1cccc(c1Br)NCCS 15f6fa9b0c60b882dc387fef1dd3102d [0,2,0,0,0,0|1,1,0]=4 4906 B12R1.25 Fc1cccc(c1Br)OCCS 537077ffbb3b8ceade21350e5d3044a1 [0,2,0,0,0,0|1,1,0]=4 4907 B12R1.25 Fc1cccc(c1Cl)NCCS 7c98b4b0a3c8f54e7542650d04630877 [0,2,0,0,0,0|1,1,0]=4 4908 B12R1.25 Fc1cccc(c1Cl)OCCS daa12bd47300db5ca04b9a23137ae77c [0,2,0,0,0,0|1,1,0]=4 4909 B12R1.25 Fc1cccc(c1F)NCCS 38dabeefef832ca502f3677fc4a29583 [0,2,0,0,0,0|1,1,0]=4 4910 B12R1.25 Fc1cccc(c1F)OCCS 1cd6c0dab8051c12dc92c487db9016e6 [0,2,0,0,0,0|1,1,0]=4 4911 B12R1.25 Fc1cccc(c1I)NCCS 28bd5409a3feb72363865333f2001d72 [0,2,0,0,0,0|1,1,0]=4 4912 B12R1.25 Fc1cccc(c1I)OCCS 564d6d979e1bddba62a0590bfef7c308 [0,2,0,0,0,0|1,1,0]=4 4913 B12R1.25 Nc1cccc(c1N)NCCBr c36d43828a77921f41b00008759bbc01 [0,2,0,0,0,0|2,0,0]=4 4914 B12R1.25 Nc1cccc(c1N)NCCI a7970f090d5a1ee4ba044a3562a54308 [0,2,0,0,0,0|2,0,0]=4 4915 B12R1.25 Nc1cccc(c1N)NCCO 053698d0e9f85a088b237d6066022315 [0,2,0,0,0,0|1,0,0]=3 4916 B12R1.25 Nc1cccc(c1N)NCCS b6a5fa840dccf0dd478423803b3997d3 [0,2,0,0,0,0|1,1,0]=4 4917 B12R1.25 Nc1ccnc(c1N)NCCO 927afd86da87bbadd3a80b32ec1b7682 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.25 Nc1cncc(c1N)NCCO dbf93082c88d023a9c3c180762d78e42 [0,2,0,0,0,0|2,0,0]=4 4919 B12R1.25 Nc1nccc(c1N)NCCO 9a9936029425d9e104f9671a3fd72202 [0,2,0,0,0,0|2,0,0]=4 4920 B12R1.25 O=c1[nH]ccc(c1I)NCCO 829f356775fdb31e87edef57c1aabe78 [0,2,0,0,0,0|2,0,0]=4 4921 B12R1.25 OCCNc1cccc(c1Br)Cl a7a66a9d8f15ea1358276633a1b38c45 [0,2,0,0,0,0|1,0,0]=3 4922 B12R1.25 OCCNc1cccc(c1Br)F 8949eaa96a37b77026021e7e848b5b02 [0,2,0,0,0,0|1,0,0]=3 4923 B12R1.25 OCCNc1cccc(c1Cl)Cl 3bdfea4f2fb1274dd99c83a7b5268ed8 [0,2,0,0,0,0|1,0,0]=3 4924 B12R1.25 OCCNc1cccc(c1Cl)F 20be215d2f3f397ce8d91374b71e0e5c [0,2,0,0,0,0|1,0,0]=3 4925 B12R1.25 OCCNc1cccc(c1Cl)I 45061e7c35e19a1b1dc360618878ab95 [0,2,0,0,0,0|1,0,0]=3 4926 B12R1.25 OCCNc1cccc(c1F)Cl 42b5202f559ca5c66e245037c4b91548 [0,2,0,0,0,0|1,0,0]=3 4927 B12R1.25 OCCNc1cccc(c1F)F 7d87320b83ad1f5604820434b4e95c95 [0,2,0,0,0,0|1,0,0]=3 4928 B12R1.25 OCCNc1cccc(c1F)I 481b46cb8d61f7bce0a5dd1f746b34cf [0,2,0,0,0,0|1,0,0]=3 4929 B12R1.25 OCCNc1cccc(c1I)Cl ea8a68bfa27322b7e9c34d6f6581b7b7 [0,2,0,0,0,0|1,0,0]=3 4930 B12R1.25 OCCNc1cccc(c1I)F ebbb3e9c3e83ab4e932f480b0b496975 [0,2,0,0,0,0|1,0,0]=3 4931 B12R1.25 OCCNc1ccnc(c1Br)Cl ac623aba2acf2edab5358636be163b33 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.25 OCCNc1ccnc(c1Br)F 3d49fc383d688595cac564dd0b00fc5b [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.25 OCCNc1ccnc(c1Cl)Br 603f2881c3a05ac3093d18d2cbc4f214 [0,2,0,0,0,0|2,0,0]=4 4934 B12R1.25 OCCNc1ccnc(c1Cl)Cl c7cb443510b7c1d94247875165991f42 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.25 OCCNc1ccnc(c1F)Br 24045434e88253d14973a905f02ec7bd [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.25 OCCNc1ccnc(c1F)Cl 22a73f49a6ac4b6d5c5c1ad3a2492252 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.25 OCCNc1ccnc(c1F)F 3273446058c235a7f18ff00fcad1c790 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.25 OCCNc1ccnc(c1I)Br 782685eed4cd1161d48123d9215dcee4 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.25 OCCNc1ccnc(c1I)Cl 49bc1e0dc76faedfbe59cbe50dda11b9 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.25 OCCNc1ccnc(c1I)F 08dad9dedf6294f4865dfac6cb68dcfe [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.25 OCCNc1ccnc(c1O)F d414c269f5697ab8ffaa3387ca7506b7 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.25 OCCNc1cncc(c1Br)Cl fce764d098d4ac63210672552c4aa629 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.25 OCCNc1cncc(c1Cl)Br 17c24bc5fdd5883930af262022db7706 [0,2,0,0,0,0|2,0,0]=4 4944 B12R1.25 OCCNc1cncc(c1Cl)Cl ba584dd9cc3d62e62c34b395967dda82 [0,2,0,0,0,0|2,0,0]=4 4945 B12R1.25 OCCNc1cncc(c1Cl)F 973302f87a47e2575ee25a6595b8e630 [0,2,0,0,0,0|2,0,0]=4 4946 B12R1.25 OCCNc1cncc(c1F)Cl af563f7420f158dc809cd3e86b4c61f5 [0,2,0,0,0,0|2,0,0]=4 4947 B12R1.25 OCCNc1cncc(c1I)Br 01d2d04fe94a86bd89877cb37517472f [0,2,0,0,0,0|2,0,0]=4 4948 B12R1.25 OCCNc1cncc(c1I)Cl 8b95e0fab7445b596fa27842a1831826 [0,2,0,0,0,0|2,0,0]=4 4949 B12R1.25 OCCNc1cncc(c1I)F dd2e4ffe8b1695222eb4cedb791497b1 [0,2,0,0,0,0|2,0,0]=4 4950 B12R1.25 OCCNc1nccc(c1Br)Br 4005d49975ad6abaad4478075d799c79 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.25 OCCNc1nccc(c1Br)Cl 817977b12dde379b30131c163a8cfd82 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.25 OCCNc1nccc(c1Br)F 1a2569250031c5c0a54e83b5d7d1f9db [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.25 OCCNc1nccc(c1Cl)Br 36e40fdb7b313dbea45e85a712604eca [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.25 OCCNc1nccc(c1Cl)Cl c85d66fb9523ef3a5547a08e19973572 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.25 OCCNc1nccc(c1Cl)I 73bc028c325ca53c256e27cb87473c2a [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.25 OCCNc1nccc(c1Cl)S d75b9591484782d4361ed8254845b1db [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.25 OCCNc1nccc(c1F)Br 8ef04173a42b2de25cd3d6df0ff6ea87 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.25 OCCNc1nccc(c1F)Cl 9e7dfb0ae165668ffabdffd04336266f [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.25 OCCNc1nccc(c1F)F 456e971c68129944f3af2eb0fbce06bf [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.25 OCCNc1nccc(c1F)I 8d20a960462c462e86b2c11692c55ab7 [0,2,0,0,0,0|2,0,0]=4 4961 B12R1.25 OCCNc1nccc(c1I)Br f903aa21875c672dd07172c5075e9bc5 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.25 OCCNc1nccc(c1I)Cl 42134ff78930aca0af14f9d03c44a7ed [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.25 OCNCc1cccc(c1Br)F 18500f15f5edbfa4f40f0604a087ad79 [0,2,0,0,0,0|1,0,0]=3 4964 B12R1.25 OCNCc1cccc(c1Br)I 254f0cd95b3b4caea75e79b9bb3d4a16 [0,2,0,0,0,0|1,0,0]=3 4965 B12R1.25 OCNCc1cccc(c1Cl)Br dfdaba88837890d4cbad8954c41ec397 [0,2,0,0,0,0|1,0,0]=3 4966 B12R1.25 OCNCc1cccc(c1Cl)Cl d23ec505b55d77a62ce04da535a71f0a [0,2,0,0,0,0|1,0,0]=3 4967 B12R1.25 OCNCc1cccc(c1Cl)F 00a41169f8100f65f51236c596892caf [0,2,0,0,0,0|1,0,0]=3 4968 B12R1.25 OCNCc1cccc(c1Cl)I f7b79799a7dee59c30e14ce02e86c4d8 [0,2,0,0,0,0|1,0,0]=3 4969 B12R1.25 OCNCc1cccc(c1F)Br 2d64ad1714e7c1281e37c932a489f7d9 [0,2,0,0,0,0|1,0,0]=3 4970 B12R1.25 OCNCc1cccc(c1F)Cl b822b23b6fef2702268319527cf8b7a0 [0,2,0,0,0,0|1,0,0]=3 4971 B12R1.25 OCNCc1cccc(c1F)F 6d45dd48a848800bf500795c981701bc [0,2,0,0,0,0|1,0,0]=3 4972 B12R1.25 OCNCc1nccc(c1F)Cl 1472367a3377c6900a615dfdd8b88792 [0,2,0,0,0,0|2,0,0]=4 4973 B12R1.25 SCCNc1cccc(c1Br)Cl a2f807a3ae377c7dc702b712c2b343ff [0,2,0,0,0,0|1,1,0]=4 4974 B12R1.25 SCCNc1cccc(c1Cl)Cl 626f3c4e05d740503d08ee4f54bada07 [0,2,0,0,0,0|1,1,0]=4 4975 B12R1.25 SCCNc1cccc(c1Cl)I 6952d268364c2814fb822b360fb5aec9 [0,2,0,0,0,0|1,1,0]=4 4976 B12R1.25 SCCNc1cccc(c1Cl)S d818fd314c222adbfbdfe58512a480be [0,2,0,0,0,0|1,1,0]=4 4977 B12R1.25 SCCNc1cccc(c1I)Cl fbc70ed916b2ccb5bdb7c46578e89d2a [0,2,0,0,0,0|1,1,0]=4 4978 B12R1.25 SCCOc1cccc(c1Br)Br 01af6451ca3a19d65a6b04705d07c9e2 [0,2,0,0,0,0|1,1,0]=4 4979 B12R1.25 SCCOc1cccc(c1Br)Cl 04be21515aa0ab9646354d9701298667 [0,2,0,0,0,0|1,1,0]=4 4980 B12R1.25 SCCOc1cccc(c1Br)I 0cf67fa1a3a4363b23a357ab13504431 [0,2,0,0,0,0|1,1,0]=4 4981 B12R1.25 SCCOc1cccc(c1Cl)Br be54eec952f769adda450d4ad61fccca [0,2,0,0,0,0|1,1,0]=4 4982 B12R1.25 SCCOc1cccc(c1Cl)Cl 7e26afae33d82bc9d27a3107dcd1228a [0,2,0,0,0,0|1,1,0]=4 4983 B12R1.25 SCCOc1cccc(c1Cl)I bfb06df29bd3438d92d3cc7bbd2f334a [0,2,0,0,0,0|1,1,0]=4 4984 B12R1.25 SCCOc1cccc(c1I)Br f40e8d2f70cb435c71a53f5b85b4a39c [0,2,0,0,0,0|1,1,0]=4 4985 B12R1.25 SCCOc1cccc(c1I)Cl eb2a879ddc267992635addccfb965fbe [0,2,0,0,0,0|1,1,0]=4 4986 B12R1.121 C#Cc1ccccc1COCC 3f4d3e90467b2e7bc1cb19fe841f1865 [0,2,0,0,0,0|2,0,0]=4 4987 B12R1.121 C#Cc1ccccc1COCF 8246e2b02d2226fd1bb894b64ef4a5c5 [0,2,0,0,0,0|2,0,0]=4 4988 B12R1.121 C#Cc1ccccc1NCCC 2080cee1a2db0ad1193688b3edc4550e [0,2,0,0,0,0|2,0,0]=4 4989 B12R1.121 C#Cc1ccccc1NCCF 866421181968ee014fcb3a75917327d7 [0,2,0,0,0,0|2,0,0]=4 4990 B12R1.121 C#Cc1ccccc1NCCO 6899bed37f78954187e1a4815c09f830 [0,2,0,0,0,0|1,0,0]=3 4991 B12R1.121 C#Cc1ccccc1NCCS 1d9cedfea46d6a9dfe5881fb1380a3b4 [0,2,0,0,0,0|1,1,0]=4 4992 B12R1.121 C#Cc1ccccc1OCCC a4f7d5986feb93828e0ed01e136164da [0,2,0,0,0,0|2,0,0]=4 4993 B12R1.121 C#Cc1ccccc1OCCF 0c12bc2befb14bee69e766e51e95a810 [0,2,0,0,0,0|2,0,0]=4 4994 B12R1.121 C#Cc1ccccc1OCCS 3550bca538d993c578484f12801e7060 [0,2,0,0,0,0|1,1,0]=4 4995 B12R1.121 C#Cc1cccnc1NCCO fcdfa1e9ae87d773736b3506c61b8e76 [0,2,0,0,0,0|2,0,0]=4 4996 B12R1.121 C#Cc1ccncc1NCCO 3ba77c40f5f1dcd51f7ded1061eb2c10 [0,2,0,0,0,0|2,0,0]=4 4997 B12R1.121 C#Cc1cnccc1NCCO 01742fc70a86e1247bdcf63a1f2b35fe [0,2,0,0,0,0|2,0,0]=4 4998 B12R1.121 C#Cc1ncccc1NCCO c17a90850b00be8d6953087ee0c0f339 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.121 C=Cc1ccccc1COCC 450d58f9aa08ac26b17a63c03dda207e [0,2,0,0,0,0|2,0,0]=4 5000 B12R1.121 C=Cc1ccccc1COCF 068f9fabb51d683d92e1110a3e9a89c1 [0,2,0,0,0,0|2,0,0]=4 5001 B12R1.121 C=Cc1ccccc1NCCBr be7a417011cb37a17687bc150752a587 [0,2,0,0,0,0|2,0,0]=4 5002 B12R1.121 C=Cc1ccccc1NCCC 393733931c90fefa8f24f7aff42f74b7 [0,2,0,0,0,0|2,0,0]=4 5003 B12R1.121 C=Cc1ccccc1NCCF c016956e97db15ff1da01120a08088f5 [0,2,0,0,0,0|2,0,0]=4 5004 B12R1.121 C=Cc1ccccc1NCCI eeea14b5a6d44cb77fa2c5a8428c2d09 [0,2,0,0,0,0|2,0,0]=4 5005 B12R1.121 C=Cc1ccccc1NCCO dec5f70e08194b4940ff6fa7dc3b9ff6 [0,2,0,0,0,0|1,0,0]=3 5006 B12R1.121 C=Cc1ccccc1NCCS 987e6bf054c6313875b5ba27f6fd1476 [0,2,0,0,0,0|1,1,0]=4 5007 B12R1.121 C=Cc1ccccc1OCCC d64cceb48d34bd593308e20fdb8200e9 [0,2,0,0,0,0|2,0,0]=4 5008 B12R1.121 C=Cc1ccccc1OCCF 481723a34629b3821419aaa1a63c2695 [0,2,0,0,0,0|2,0,0]=4 5009 B12R1.121 C=Cc1ccccc1OCCS f5bb2bfe91adbbd3b74ef63cb8f1eadf [0,2,0,0,0,0|1,1,0]=4 5010 B12R1.121 C=Cc1cccnc1NCCO 54855091c51f3a6dd8db2648c2108967 [0,2,0,0,0,0|2,0,0]=4 5011 B12R1.121 C=Cc1ccncc1NCCO d9ac7e38c1971a39cf8d5858e920c755 [0,2,0,0,0,0|2,0,0]=4 5012 B12R1.121 C=Cc1ncccc1NCCO e88560d296109803d8641bb02813150f [0,2,0,0,0,0|2,0,0]=4 5013 B12R1.121 CCCNc1ccccc1C#N 27ee33b46676634ca26387e863df78ef [0,2,0,0,0,0|2,0,0]=4 5014 B12R1.121 CCCNc1ccccc1C=O d39fa7b2696866eb4a1bc9c52327bd08 [0,2,0,0,0,0|2,0,0]=4 5015 B12R1.121 CCCNc1ccccc1CBr 5654fbd571e73630b5bc292f9d38b7d4 [0,2,0,0,0,0|2,0,0]=4 5016 B12R1.121 CCCNc1ccccc1CC 39bbfb3458e19c9310d79a68945e3d88 [0,2,0,0,0,0|2,0,0]=4 5017 B12R1.121 CCCNc1ccccc1CO ac2795b4df2d626601005eabc51f6f17 [0,2,0,0,0,0|2,0,0]=4 5018 B12R1.121 CCCNc1ccccc1CS bdc35a4f3d678c28d9513906dedb7b78 [0,2,0,0,0,0|2,0,0]=4 5019 B12R1.121 CCCNc1ccccc1OC d2dcbfb7fdcae7a60fb5172054dc4ef1 [0,2,0,0,0,0|2,0,0]=4 5020 B12R1.121 CCCNc1ccccc1SC d67a4f48a71e6f54241f9032dba32f4c [0,2,0,0,0,0|2,0,0]=4 5021 B12R1.121 CCCOc1ccccc1C#N 5839737f2357762bfdd93be09ee4484c [0,2,0,0,0,0|2,0,0]=4 5022 B12R1.121 CCCOc1ccccc1C=O 96e764f50eca112b9923d943250c3345 [0,2,0,0,0,0|2,0,0]=4 5023 B12R1.121 CCCOc1ccccc1CC 0fb4b6e8cb3dd80fa6a8ce889b16416b [0,2,0,0,0,0|2,0,0]=4 5024 B12R1.121 CCCOc1ccccc1OC e1a8f477385f7131998a3a6295c0d0ee [0,2,0,0,0,0|2,0,0]=4 5025 B12R1.121 CCCOc1ccccc1SC b2283a47a3ea4715fd2e4736f48b48da [0,2,0,0,0,0|2,0,0]=4 5026 B12R1.121 CCNCc1ccccc1C#N 11ab151a2375558bd7afe9ec3d151a51 [0,2,0,0,0,0|2,0,0]=4 5027 B12R1.121 CCNCc1ccccc1CC dba418a277dbea9938d00be21f426b18 [0,2,0,0,0,0|2,0,0]=4 5028 B12R1.121 CCNCc1ccccc1CO 247e788b2f72e3b7b5034ac1bbd368e6 [0,2,0,0,0,0|2,0,0]=4 5029 B12R1.121 CCNCc1ccccc1OC c267ee69e078172dcb8af018da305189 [0,2,0,0,0,0|2,0,0]=4 5030 B12R1.121 CCNCc1ccccc1SC d3fe9219738a624af728407b98f87f8f [0,2,0,0,0,0|2,0,0]=4 5031 B12R1.121 CCOCc1ccccc1C#N a7dce0509c7ec48871f6c0ac5628c2e6 [0,2,0,0,0,0|2,0,0]=4 5032 B12R1.121 CCOCc1ccccc1CC aae357a9f1ec25325b62c78eca4b1963 [0,2,0,0,0,0|2,0,0]=4 5033 B12R1.121 CCOCc1ccccc1OC 5bb7bbe2e4f0450c635782da56d7e647 [0,2,0,0,0,0|2,0,0]=4 5034 B12R1.121 CCOCc1ccccc1SC cea9660c927d54e423fd0e4fd560b596 [0,2,0,0,0,0|2,0,0]=4 5035 B12R1.121 CCc1ccccc1CNCF 489e5bf8e2a1348214bba6a5c582c58c [0,2,0,0,0,0|2,0,0]=4 5036 B12R1.121 CCc1ccccc1CNCO d0a12f6c4e39d47ce3a43aa1421b95b2 [0,2,0,0,0,0|1,0,0]=3 5037 B12R1.121 CCc1ccccc1COCF 657925cbdb2285a5cc93e430027ca6cb [0,2,0,0,0,0|2,0,0]=4 5038 B12R1.121 CCc1ccccc1NCCF bcaf49b33f4c8e1c381b01ad5983957a [0,2,0,0,0,0|2,0,0]=4 5039 B12R1.121 CCc1ccccc1NCCO 0c659677cff2f67e9651bd3bea36771f [0,2,0,0,0,0|1,0,0]=3 5040 B12R1.121 CCc1ccccc1NCCS bb9aab9f6279cd0cd145ea1d593ad6fe [0,2,0,0,0,0|1,1,0]=4 5041 B12R1.121 CCc1ccccc1OCCF 5e0b23e59a8e77c1d232b20601cc9a53 [0,2,0,0,0,0|2,0,0]=4 5042 B12R1.121 CCc1ccccc1OCCS b9fb2c7fcb11b63a00396449bae4fae7 [0,2,0,0,0,0|1,1,0]=4 5043 B12R1.121 CCc1cccnc1NCCO 12a9cda249f9d67b04721097921fcc60 [0,2,0,0,0,0|2,0,0]=4 5044 B12R1.121 CCc1ncccc1NCCO f10b9071826cb9a6d4744e196b1b9752 [0,2,0,0,0,0|2,0,0]=4 5045 B12R1.121 COc1ccccc1CNCF 50419350685bc850fbb3495175568c8a [0,2,0,0,0,0|2,0,0]=4 5046 B12R1.121 COc1ccccc1CNCO 34f4426dd7db36c67f879aa2b90e6c86 [0,2,0,0,0,0|1,0,0]=3 5047 B12R1.121 COc1ccccc1COCF d9d945265660f30b4d06ff39656c8df6 [0,2,0,0,0,0|2,0,0]=4 5048 B12R1.121 COc1ccccc1NCCF d489ad0b0b8a3fe9fb1e65f15e818344 [0,2,0,0,0,0|2,0,0]=4 5049 B12R1.121 COc1ccccc1NCCO ac556398a45591da6bb76b6a5b37f457 [0,2,0,0,0,0|1,0,0]=3 5050 B12R1.121 COc1ccccc1NCCS ba0119d07914fb0e11741681ec8bb375 [0,2,0,0,0,0|1,1,0]=4 5051 B12R1.121 COc1ccccc1OCCS 6519eac93f874a8614a651992d96eeb0 [0,2,0,0,0,0|1,1,0]=4 5052 B12R1.121 COc1cccnc1CNCO c8e65772cb1c6ba4c5cb5cb99f69b3e2 [0,2,0,0,0,0|2,0,0]=4 5053 B12R1.121 COc1cccnc1NCCO a7bbf66f508727f8958a8062128a1ba1 [0,2,0,0,0,0|2,0,0]=4 5054 B12R1.121 COc1ccncc1NCCO 6a3814a55a30ce9f8b93855e211fb622 [0,2,0,0,0,0|2,0,0]=4 5055 B12R1.121 COc1cnccc1CNCO 220dc182b52601d8f6d37d870159fcba [0,2,0,0,0,0|2,0,0]=4 5056 B12R1.121 COc1cnccc1NCCO 19c3fc5f9be1abbcffdf1cbdb9967fa6 [0,2,0,0,0,0|2,0,0]=4 5057 B12R1.121 COc1ncccc1CNCO 26f3cd821321b74e33b910590909c2de [0,2,0,0,0,0|2,0,0]=4 5058 B12R1.121 COc1ncccc1NCCO f2f50b05971b6a200306423613bb9014 [0,2,0,0,0,0|2,0,0]=4 5059 B12R1.121 CSc1ccccc1CNCF 09e5c1fe93f093c31076f5e06025df09 [0,2,0,0,0,0|2,0,0]=4 5060 B12R1.121 CSc1ccccc1CNCO 265d8f61796628c305a25e58298249d1 [0,2,0,0,0,0|1,0,0]=3 5061 B12R1.121 CSc1ccccc1COCF dccafa330f719f5f1a0f27f4f85cff46 [0,2,0,0,0,0|2,0,0]=4 5062 B12R1.121 CSc1ccccc1NCCBr 7c42ef5120dfedd318c4fa393bf9164a [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.121 CSc1ccccc1NCCF 171adad56a12adababbc6e1ade0c6491 [0,2,0,0,0,0|2,0,0]=4 5064 B12R1.121 CSc1ccccc1NCCI f19875e1873bd12cd28fb063e2cef17b [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.121 CSc1ccccc1NCCO 2e30566085cd7d78ff028dd47dffd4ce [0,2,0,0,0,0|1,0,0]=3 5066 B12R1.121 CSc1ccccc1NCCS 57375da8a383edfe91ab9fa2d8f46306 [0,2,0,0,0,0|1,1,0]=4 5067 B12R1.121 CSc1ccccc1OCCF 1b6ade813984679c483d381bd4f418ed [0,2,0,0,0,0|2,0,0]=4 5068 B12R1.121 CSc1ccccc1OCCS 179e3fad5f6722ac83c96cd98b6fe486 [0,2,0,0,0,0|1,1,0]=4 5069 B12R1.121 CSc1cccnc1NCCO 1f2cb2df42c0a5044dbd512564de9b5d [0,2,0,0,0,0|2,0,0]=4 5070 B12R1.121 CSc1cnccc1NCCO 74565502d972ba6c92aa4f037d94fb09 [0,2,0,0,0,0|2,0,0]=4 5071 B12R1.121 FCCNc1ccccc1CBr a149297e69fe62af2e8cae5389823670 [0,2,0,0,0,0|2,0,0]=4 5072 B12R1.121 FCCNc1ccccc1CS 263a3182b5b1c12d3b97cd001566c7fe [0,2,0,0,0,0|2,0,0]=4 5073 B12R1.121 N#Cc1ccccc1CNCF 3173a5e7230728d7c9ae4be8c80a8722 [0,2,0,0,0,0|2,0,0]=4 5074 B12R1.121 N#Cc1ccccc1CNCO 2ba845e1c563afb656d173f76d1c2781 [0,2,0,0,0,0|1,0,0]=3 5075 B12R1.121 N#Cc1ccccc1COCF aaacd1bda808abf7eacc26ba1b690a17 [0,2,0,0,0,0|2,0,0]=4 5076 B12R1.121 N#Cc1ccccc1NCCF 16975b7e7fa65d73ca2c5e0715ed1039 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.121 N#Cc1ccccc1NCCO a84642fc47db33292e20041ea06c2996 [0,2,0,0,0,0|1,0,0]=3 5078 B12R1.121 N#Cc1ccccc1NCCS 428ea03fbca7bf61f86db3c5802d7d7b [0,2,0,0,0,0|1,1,0]=4 5079 B12R1.121 N#Cc1ccccc1OCCF 28cac85c4400cae85ab589fff2b616e7 [0,2,0,0,0,0|2,0,0]=4 5080 B12R1.121 N#Cc1ccccc1OCCS 137dfdbb63490e18a2798080cc26a9af [0,2,0,0,0,0|1,1,0]=4 5081 B12R1.121 N#Cc1cccnc1NCCO c2086b42fb5f8c5131f222cd5a877124 [0,2,0,0,0,0|2,0,0]=4 5082 B12R1.121 N#Cc1ccncc1NCCO e38655c6028dfa0aaec4fd589c194916 [0,2,0,0,0,0|2,0,0]=4 5083 B12R1.121 N#Cc1cnccc1NCCO d075c1c7b138a86ea8ee9aee00476c79 [0,2,0,0,0,0|2,0,0]=4 5084 B12R1.121 N#Cc1ncccc1NCCO 226e4ea44c8c3795392cd2141eee344f [0,2,0,0,0,0|2,0,0]=4 5085 B12R1.121 O=Cc1ccccc1NCCBr ee692c847ba8c4c45e74090cf9edf291 [0,2,0,0,0,0|2,0,0]=4 5086 B12R1.121 O=Cc1ccccc1NCCF 9c97b534dbd28733ca8877d841254240 [0,2,0,0,0,0|2,0,0]=4 5087 B12R1.121 O=Cc1ccccc1NCCO 80ed5c955f6e50322fba50849bd20ac1 [0,2,0,0,0,0|1,0,0]=3 5088 B12R1.121 O=Cc1ccccc1NCCS 2bac830f5ec31ce8d54dc22d90d9c870 [0,2,0,0,0,0|1,1,0]=4 5089 B12R1.121 O=Cc1ccccc1OCCF 65163197d55b21043ccdfdb992a3a53d [0,2,0,0,0,0|2,0,0]=4 5090 B12R1.121 O=Cc1ccccc1OCCS 6beb11d9e2cf59082b859f20c74bc0f0 [0,2,0,0,0,0|1,1,0]=4 5091 B12R1.121 O=Cc1cccnc1NCCO cda26d9d09b6cbe9761c61a3a26bf121 [0,2,0,0,0,0|2,0,0]=4 5092 B12R1.121 O=Cc1ccncc1NCCO 5b9a12b398b78bd7ff1f172d90b4d29b [0,2,0,0,0,0|2,0,0]=4 5093 B12R1.121 O=Cc1cnccc1NCCO 9cc884630fb8f303a40fd72ad5025e2a [0,2,0,0,0,0|2,0,0]=4 5094 B12R1.121 O=Cc1ncccc1NCCO c3753a4107c5594bce3b07696eaebcce [0,2,0,0,0,0|2,0,0]=4 5095 B12R1.121 OCCNc1ccccc1CBr 1fcc95914e307948c439616de604de61 [0,2,0,0,0,0|1,0,0]=3 5096 B12R1.121 OCCNc1ccccc1CO f1f51ce0b10deb7bda5b465fa7b53f63 [0,2,0,0,0,0|1,0,0]=3 5097 B12R1.121 OCCNc1ccccc1CS 570328d7cf3febac06d89247a9a9591d [0,2,0,0,0,0|1,0,0]=3 5098 B12R1.121 OCCNc1cccnc1CCl 022ba8a8bc0f88e259e9e267073043f9 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.121 OCCNc1cccnc1CO b92e5876f7b61517b269a0307b60c196 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.121 OCCNc1ccncc1CO e7e2234e0535cca8fea626b6f6137be8 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.121 OCCNc1cnccc1CO 87be394a90be36514632df367ce25135 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.121 OCCNc1ncccc1CCl 52a4b850d840c1b7eded337aa0ab758e [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.121 OCCNc1ncccc1CO 03c58dbbccb4de23f0a42ea6a901b23c [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.121 OCNCc1ccccc1CO f82d4a101aa24955fdf8220b83258447 [0,2,0,0,0,0|1,0,0]=3 5105 B12R1.121 OCc1ccccc1CNCF abd7c3fb780ab6b425935cad4758dc58 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.121 OCc1ccccc1NCCF 1939a581d0190d2dee3e9f805cb47976 [0,2,0,0,0,0|2,0,0]=4 5107 B12R1.121 OCc1ccccc1NCCS d52c95e78ef4be881618867ba8d2c6c9 [0,2,0,0,0,0|1,1,0]=4 5108 B12R1.121 SCCNc1ccccc1CBr 8ab751183d4c18e58588d898762968a6 [0,2,0,0,0,0|1,1,0]=4 5109 B12R1.121 SCCNc1ccccc1CS 58d3fb998956c3c4c2a914804583a7f8 [0,2,0,0,0,0|1,1,0]=4 5110 B12R1.125 CC(C)CNc1ccccc1Br 97dcb5c3c65ce65124839fce143060ed [0,2,0,0,0,0|2,0,0]=4 5111 B12R1.125 CC(C)CNc1ccccc1Cl 75d6f72f33e1b81eaa5975119e7851a7 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.125 CC(C)CNc1ccccc1F 1f6d990d4611c55e81ba435b4de3227f [0,2,0,0,0,0|2,0,0]=4 5113 B12R1.125 CC(C)CNc1ccccc1I 8137d11aab68af4ff87c3b0c458aeadf [0,2,0,0,0,0|2,0,0]=4 5114 B12R1.125 CC(C)CNc1ccccc1S abeaa0222adaeba5cb90e228335806a0 [0,2,0,0,0,0|2,0,0]=4 5115 B12R1.125 CC(C)COc1ccccc1Br 15e4cd0efed59b74bb1886c65548b9ce [0,2,0,0,0,0|2,0,0]=4 5116 B12R1.125 CC(C)COc1ccccc1Cl ec2a4d693a1f337c73c825dab32a22e8 [0,2,0,0,0,0|2,0,0]=4 5117 B12R1.125 CC(C)COc1ccccc1F 3d250d7b85e326d2d954c337a0f1907d [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.125 CC(C)COc1ccccc1I 179013c2eef1a81cfd9d0470359a57c5 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.125 CC(C)COc1ccccc1S 3c07cbd446137458a8a811b24d5966d2 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.125 CC(C)NCc1ccccc1Cl 9b9897219917fd3530700a473a4db4bc [0,2,0,0,0,0|2,0,0]=4 5121 B12R1.125 CC(C)NCc1ccccc1F 22106e2f6b32da238c4d16ecaebf9107 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.125 CC(C)NCc1ccccc1I 3b248e8d40a66b793c94674298302a5d [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.125 CC(C)OCc1ccccc1Cl f1d0578f20039107ab7831c744270352 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.125 CC(C)OCc1ccccc1F 88ffe0c3ffb1a7712dee49c51d8757cb [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.125 CC(C)OCc1ccccc1I 091e4f6992ab541edd05dc5206b2152a [0,2,0,0,0,0|2,0,0]=4 5126 B12R1.125 CC(O)CNc1c[nH]ccc1=O 3d53fb936c3f25e29733d7792976e8ad [0,2,0,0,0,0|2,0,0]=4 5127 B12R1.125 CC(O)CNc1ccc[nH]c1=S b34bbcf0ab8a0d7c87dba4f3ad419b1b [0,2,0,0,0,0|2,0,0]=4 5128 B12R1.125 CC(O)CNc1cccc[n+]1[O-] 58ef4e5c02549723bc3393d8daa55594 [0,2,0,0,0,0|2,0,0]=4 5129 B12R1.125 CC(O)CNc1ccccc1Br 4a8178895a974705dd8c5d47896d821f [0,2,0,0,0,0|1,0,0]=3 5130 B12R1.125 CC(O)CNc1ccccc1Cl 18a1aeb377915ff3d7752e638825109f [0,2,0,0,0,0|1,0,0]=3 5131 B12R1.125 CC(O)CNc1ccccc1F 2118f4d689b50b2f5bf4fe77b0346bb5 [0,2,0,0,0,0|1,0,0]=3 5132 B12R1.125 CC(O)CNc1ccccc1I 4ba68e475ff4710ffb78d3e623e4dd83 [0,2,0,0,0,0|1,0,0]=3 5133 B12R1.125 CC(O)CNc1ccccc1S c9cd17787d858b75a205fbdc344be6ff [0,2,0,0,0,0|1,0,0]=3 5134 B12R1.125 CC(O)CNc1cccnc1Br f249a4b8744d03a02e24b0b13450af63 [0,2,0,0,0,0|2,0,0]=4 5135 B12R1.125 CC(O)CNc1cccnc1Cl 95b371b3e779eaabee26b45d4e140a5e [0,2,0,0,0,0|2,0,0]=4 5136 B12R1.125 CC(O)CNc1cccnc1F e14799916c7fb7239e2d571cef33ba0a [0,2,0,0,0,0|2,0,0]=4 5137 B12R1.125 CC(O)CNc1cccnc1I a1f63668ebab19c97abdffaea4e72eb2 [0,2,0,0,0,0|2,0,0]=4 5138 B12R1.125 CC(O)CNc1ccncc1Br 49e627a4311350710b14646544dad8e6 [0,2,0,0,0,0|2,0,0]=4 5139 B12R1.125 CC(O)CNc1ccncc1Cl 389013cf861be617897026b577813ca5 [0,2,0,0,0,0|2,0,0]=4 5140 B12R1.125 CC(O)CNc1ccncc1F 355936ef1844d0a8c62ea95b5737bc01 [0,2,0,0,0,0|2,0,0]=4 5141 B12R1.125 CC(O)CNc1ccncc1I c8887a8087c124ee48ec112b4551594b [0,2,0,0,0,0|2,0,0]=4 5142 B12R1.125 CC(O)CNc1cnccc1Br eaf65a54847da2d7542db29233cc1f77 [0,2,0,0,0,0|2,0,0]=4 5143 B12R1.125 CC(O)CNc1cnccc1Cl 9a0a7220cc2978dd9e3bc2e3be28b091 [0,2,0,0,0,0|2,0,0]=4 5144 B12R1.125 CC(O)CNc1cnccc1F ea8f2671d1611ccf384a8e9cbfdfd0a7 [0,2,0,0,0,0|2,0,0]=4 5145 B12R1.125 CC(O)CNc1cnccc1I 02315c0170c733e27427e65855199904 [0,2,0,0,0,0|2,0,0]=4 5146 B12R1.125 CC(O)CNc1cnccc1S 95f61ff7061c672b64fb2292d23abb71 [0,2,0,0,0,0|2,0,0]=4 5147 B12R1.125 CC(O)CNc1ncccc1Br 07bd0212188f6402081d3601f8be3e37 [0,2,0,0,0,0|2,0,0]=4 5148 B12R1.125 CC(O)CNc1ncccc1Cl fb81df189928bf6a6f8705b7c6310d7f [0,2,0,0,0,0|2,0,0]=4 5149 B12R1.125 CC(O)CNc1ncccc1F 5c44bed55227ca225f290d0a98f09154 [0,2,0,0,0,0|2,0,0]=4 5150 B12R1.125 CC(O)CNc1ncccc1I b32669ead1f744a88a5ba4686f32e11f [0,2,0,0,0,0|2,0,0]=4 5151 B12R1.125 C[C@@H](O)CNc1c[nH]ccc1=O 5f79fe3799d2a83c4e3e87433d3e3608 [0,2,0,0,0,0|2,0,0]=4 5152 B12R1.125 C[C@@H](O)CNc1c[nH]ccc1=S cf033160e241c97b4ca3ce2c552c85c1 [0,2,0,0,0,0|2,0,0]=4 5153 B12R1.125 C[C@@H](O)CNc1cccc[n+]1[O-] 687afa08a076e2b07454026ec39dcbac [0,2,0,0,0,0|2,0,0]=4 5154 B12R1.125 C[C@@H](O)CNc1ccccc1I 9fbcb093ddb932bd7f24eaa426a08c17 [0,2,0,0,0,0|1,0,0]=3 5155 B12R1.125 C[C@@H](O)CNc1ccncc1Br 36efb5895b04a2243adf88897ef5fba8 [0,2,0,0,0,0|2,0,0]=4 5156 B12R1.125 C[C@@H](O)CNc1ccncc1Cl 8cdd9ee7984fb60d95117ee4e5feaf7b [0,2,0,0,0,0|2,0,0]=4 5157 B12R1.125 C[C@@H](O)CNc1ccncc1F 6d3ab2346604d093f7ea13674488e780 [0,2,0,0,0,0|2,0,0]=4 5158 B12R1.125 C[C@@H](O)CNc1ccncc1I 9588db304d2759452d21d2091301c54d [0,2,0,0,0,0|2,0,0]=4 5159 B12R1.125 C[C@@H](O)CNc1cnccc1F 95434ac9320d84db3a7117cef5c52be1 [0,2,0,0,0,0|2,0,0]=4 5160 B12R1.125 C[C@@H](O)CNc1cnccc1I 3547ce108436077763fca1e4125b8421 [0,2,0,0,0,0|2,0,0]=4 5161 B12R1.125 C[C@@H](O)CNc1ncccc1F 8d1fce3ad304cd5add0f920bc2011ffa [0,2,0,0,0,0|2,0,0]=4 5162 B12R1.125 C[C@@H](O)CNc1ncccc1I 8f85ec08735117db5aa326be3c8b449f [0,2,0,0,0,0|2,0,0]=4 5163 B12R1.125 C[C@H](O)CNc1c[nH]ccc1=O 02a4079d850e6605d93586a6281b70dc [0,2,0,0,0,0|2,0,0]=4 5164 B12R1.125 C[C@H](O)CNc1ccc[nH]c1=S c677e475db5a045cf918a4f3dc237770 [0,2,0,0,0,0|2,0,0]=4 5165 B12R1.125 C[C@H](O)CNc1cccc[n+]1[O-] 3ca150da2baee929ab0eb5c41a876172 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.125 C[C@H](O)CNc1ccccc1Br c817d086f8954ccab620e5f4c72375d6 [0,2,0,0,0,0|1,0,0]=3 5167 B12R1.125 C[C@H](O)CNc1ccccc1Cl 764c54c7fa40fe5604a3aadd5e4b8400 [0,2,0,0,0,0|1,0,0]=3 5168 B12R1.125 C[C@H](O)CNc1ccccc1F 215b77315898b180d735c74dedf26562 [0,2,0,0,0,0|1,0,0]=3 5169 B12R1.125 C[C@H](O)CNc1ccccc1I a750a87f3e2f024043f4659d08af95be [0,2,0,0,0,0|1,0,0]=3 5170 B12R1.125 C[C@H](O)CNc1ccccc1S a2817a071e3134750611d07f0df977a7 [0,2,0,0,0,0|1,0,0]=3 5171 B12R1.125 C[C@H](O)CNc1cccnc1Br cb05ae2c8a7f395c5db1d1cb21241540 [0,2,0,0,0,0|2,0,0]=4 5172 B12R1.125 C[C@H](O)CNc1cccnc1Cl 6a54c1f1bd42de78c04c03ed899e30c5 [0,2,0,0,0,0|2,0,0]=4 5173 B12R1.125 C[C@H](O)CNc1cccnc1F 68e2310190b98f6e1ca376ac9038c5e6 [0,2,0,0,0,0|2,0,0]=4 5174 B12R1.125 C[C@H](O)CNc1cccnc1I c657793bf2063866d445ec116027f6ed [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.125 C[C@H](O)CNc1ccncc1Br 92af10e064c44362771587d2b7ff6107 [0,2,0,0,0,0|2,0,0]=4 5176 B12R1.125 C[C@H](O)CNc1ccncc1Cl 9b089a2d85441f7d34ac33f385ca6751 [0,2,0,0,0,0|2,0,0]=4 5177 B12R1.125 C[C@H](O)CNc1ccncc1F 9765e9d1b5079beeb740b155725bbef9 [0,2,0,0,0,0|2,0,0]=4 5178 B12R1.125 C[C@H](O)CNc1ccncc1I f60f177f40280a6978365e392ba22e1f [0,2,0,0,0,0|2,0,0]=4 5179 B12R1.125 C[C@H](O)CNc1cnccc1Br 1eee97065adebfcb7a8c4bf3f26df9b7 [0,2,0,0,0,0|2,0,0]=4 5180 B12R1.125 C[C@H](O)CNc1cnccc1Cl 66271cbefbaa5806a0c717c16dbd3a8a [0,2,0,0,0,0|2,0,0]=4 5181 B12R1.125 C[C@H](O)CNc1cnccc1F d336cae90794b05f39090268142b7564 [0,2,0,0,0,0|2,0,0]=4 5182 B12R1.125 C[C@H](O)CNc1cnccc1I 6504d61491ad824c9446f77b28b01dbf [0,2,0,0,0,0|2,0,0]=4 5183 B12R1.125 C[C@H](O)CNc1cnccc1S 02cce5a2da2ad67652071d500e1604b3 [0,2,0,0,0,0|2,0,0]=4 5184 B12R1.125 C[C@H](O)CNc1ncccc1Br 0cd2e15e8d36860b3e21dab3e9fca808 [0,2,0,0,0,0|2,0,0]=4 5185 B12R1.125 C[C@H](O)CNc1ncccc1Cl d053537d578a96648da276ead9a8082b [0,2,0,0,0,0|2,0,0]=4 5186 B12R1.125 C[C@H](O)CNc1ncccc1F 9167006b81bfb33786aa0bc27dcdeb3d [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.125 C[C@H](O)CNc1ncccc1I ddf72d40dbf0953fdd2ccbeedb79e867 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.125 Cc1ccccc1CNC(C)C 2dd08d80be2d3e51d4d72fed96629045 [0,2,0,0,0,0|2,0,0]=4 5189 B12R1.125 Cc1ccccc1NCC(C)C 1586ab8e64ea906befcc8bbfad124462 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.125 Cc1ccccc1NCC(C)O 31ba569e9dedf1c2e9bd352e34766cab [0,2,0,0,0,0|1,0,0]=3 5191 B12R1.125 Cc1ccccc1NC[C@H](C)O f7931a4967f5c286879c882148e8589e [0,2,0,0,0,0|1,0,0]=3 5192 B12R1.125 Cc1ccccc1OCC(=O)O 790f516e7054b2979edc9dce7ff0f82c [0,2,0,0,0,0|1,0,1]=4 5193 B12R1.125 Cc1ccccc1OCC(C)C 364254b27b947c9392bf52594b3dc819 [0,2,0,0,0,0|2,0,0]=4 5194 B12R1.125 Cc1ccccc1OCC(F)F ea55285ab166959395d050fdb79a3796 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.125 Cc1cccnc1NCC(C)O 35dc987bd3bce708549aef0f92ed4026 [0,2,0,0,0,0|2,0,0]=4 5196 B12R1.125 Cc1cccnc1NC[C@@H](C)O e4ef53946909e77e87e6f77348db81d0 [0,2,0,0,0,0|2,0,0]=4 5197 B12R1.125 Cc1cccnc1NC[C@H](C)O abae2ad82f4f1fc30603b3fd48fc0e6e [0,2,0,0,0,0|2,0,0]=4 5198 B12R1.125 Cc1ccncc1NCC(C)O 2f15eac49afabd0d03f0d0d2b1fae88b [0,2,0,0,0,0|2,0,0]=4 5199 B12R1.125 Cc1ccncc1NC[C@H](C)O d11181ba52bc4967fbb62fb9f25aaaec [0,2,0,0,0,0|2,0,0]=4 5200 B12R1.125 Cc1cnccc1NCC(C)O 8da7f2c22d500f598f370ef794c365dc [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.125 Cc1cnccc1NC[C@@H](C)O 5e3e987cd021a1ce977cc61d2f69692c [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.125 Cc1cnccc1NC[C@H](C)O 513d5e641422e9b49e2fdc54ce6f8720 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.125 Cc1ncccc1NCC(C)O f0d41d8d2f35341a2155c14f483de914 [0,2,0,0,0,0|2,0,0]=4 5204 B12R1.125 Cc1ncccc1NC[C@H](C)O cf45cd1f3e8e64b21a2d69dce94d1b86 [0,2,0,0,0,0|2,0,0]=4 5205 B12R1.125 FC(F)CNc1ccccc1I 50b761e3721f8f4f8e26c50a5ea667b8 [0,2,0,0,0,0|2,0,0]=4 5206 B12R1.125 FC(F)COc1ccccc1Cl 382b274a03ab3699ef1ac83879764de2 [0,2,0,0,0,0|2,0,0]=4 5207 B12R1.125 FC(F)COc1ccccc1I 330b24980f29faa485ab99fddf0adfc2 [0,2,0,0,0,0|2,0,0]=4 5208 B12R1.125 FC(F)COc1ccccc1S a341dca9181a49ab9bfd20dd2026b5c6 [0,2,0,0,0,0|2,0,0]=4 5209 B12R1.125 Fc1ccccc1OCC(F)F 8b6fdf6f7cf770e1b925f8f7cba9a778 [0,2,0,0,0,0|2,0,0]=4 5210 B12R1.125 O=C(O)CNc1ccccc1Cl 72ceb1a4580a5539766aacebb9f5208d [0,2,0,0,0,0|1,0,1]=4 5211 B12R1.125 O=C(O)CNc1ccccc1F d5281a80776d04d3f57a32b19190a866 [0,2,0,0,0,0|1,0,1]=4 5212 B12R1.125 O=C(O)CNc1ccccc1I cf8eefbc4134617c6d29c73960171e74 [0,2,0,0,0,0|1,0,1]=4 5213 B12R1.125 O=C(O)COc1ccccc1Cl 9d360724e65d0a9db0c9ea2961f67e23 [0,2,0,0,0,0|1,0,1]=4 5214 B12R1.125 O=C(O)COc1ccccc1F c16281f1eb871a500227c73f62ec1311 [0,2,0,0,0,0|1,0,1]=4 5215 B12R1.125 O=C(O)COc1ccccc1I 4eb3edec4284410b4281af3af43661de [0,2,0,0,0,0|1,0,1]=4 5216 B12R1.267 BrCCNCc1ccccc1Br ea0d11cb5c5c05c8b45872fc9f05fc12 [0,2,0,0,0,0|1,0,0]=3 5217 B12R1.267 BrCCNCc1ccccc1I 3038a426aa86f4dfd543210d91b43629 [0,2,0,0,0,0|1,0,0]=3 5218 B12R1.267 BrCCNCc1cccnc1Br fe4182cc6563114c1a405b50321eec09 [0,2,0,0,0,0|2,0,0]=4 5219 B12R1.267 BrCCNCc1ncccc1Br 2aa287d5a3ff1b284ad68a258fbfc35d [0,2,0,0,0,0|2,0,0]=4 5220 B12R1.267 Brc1ccccc1CNCCI 5143974bbc0a4a35871e2c83139b8e6b [0,2,0,0,0,0|1,0,0]=3 5221 B12R1.267 Brc1cccnc1CNCCI b600d9ff5c5488ed2c88f9a90f7473d7 [0,2,0,0,0,0|2,0,0]=4 5222 B12R1.267 Brc1ncccc1CNCCI d7481f4cf37124a3bfb794093924a737 [0,2,0,0,0,0|2,0,0]=4 5223 B12R1.267 C#CCCNc1ccccc1Br e99ee8faed098a30a20e4543adc72564 [0,2,0,0,0,0|1,0,1]=4 5224 B12R1.267 C#CCCNc1ccccc1C 7b91fff16f002b988a860bdffd824f2a [0,2,0,0,0,0|1,0,1]=4 5225 B12R1.267 C#CCCNc1ccccc1Cl 88b9d9cb585a576e2079107494fcee66 [0,2,0,0,0,0|1,0,1]=4 5226 B12R1.267 C#CCCNc1ccccc1F b048093680a2502ae4f1b1c3689764ed [0,2,0,0,0,0|1,0,1]=4 5227 B12R1.267 C#CCCNc1ccccc1I fbc516c9eed9fbf54f019a859d2077a0 [0,2,0,0,0,0|1,0,1]=4 5228 B12R1.267 C#CCCNc1ccccc1S 80b6e789e399bac493c4ad0b2c63a5b7 [0,2,0,0,0,0|1,0,1]=4 5229 B12R1.267 C#CCCOc1ccccc1Br a24b1a7316c03d04d404ca316241e951 [0,2,0,0,0,0|1,0,1]=4 5230 B12R1.267 C#CCCOc1ccccc1C b751150d5bc7ae146a3aa4c826abad34 [0,2,0,0,0,0|1,0,1]=4 5231 B12R1.267 C#CCCOc1ccccc1Cl 66409daa86b274decf22c7bf39bd7138 [0,2,0,0,0,0|1,0,1]=4 5232 B12R1.267 C#CCCOc1ccccc1F 9ea9985df54b44e911cf1679054b43ea [0,2,0,0,0,0|1,0,1]=4 5233 B12R1.267 C#CCCOc1ccccc1I 6b12c1ea7962b2ef6d8403a2d04626e0 [0,2,0,0,0,0|1,0,1]=4 5234 B12R1.267 C#CCCOc1ccccc1S 897b0d776dba6571828fe7259a339779 [0,2,0,0,0,0|1,0,1]=4 5235 B12R1.267 C#CCNCc1ccccc1Br 290636e06aed55d8daf9b4cc70a881d0 [0,2,0,0,0,0|1,0,1]=4 5236 B12R1.267 C#CCNCc1ccccc1C a4e8363e27dd69d5d0243711625b7797 [0,2,0,0,0,0|1,0,1]=4 5237 B12R1.267 C#CCNCc1ccccc1Cl 221424104cfc0276d806a90288ca9cf9 [0,2,0,0,0,0|1,0,1]=4 5238 B12R1.267 C#CCNCc1ccccc1F 9359b9c024e43f001589a3229b22e816 [0,2,0,0,0,0|1,0,1]=4 5239 B12R1.267 C#CCNCc1ccccc1I f1ea9f3bd393ef3d2d91751ad07726ef [0,2,0,0,0,0|1,0,1]=4 5240 B12R1.267 C#CCOCc1ccccc1Br 02af93d779ad1b8b4cd2ff766919dc84 [0,2,0,0,0,0|1,0,1]=4 5241 B12R1.267 C#CCOCc1ccccc1C 5cadd4cf6bf6ebf0827ad3b0fd736fa5 [0,2,0,0,0,0|1,0,1]=4 5242 B12R1.267 C#CCOCc1ccccc1Cl 53fc0b65bab9a8d60ac954d25b4b1ea0 [0,2,0,0,0,0|1,0,1]=4 5243 B12R1.267 C#CCOCc1ccccc1F 402ebd1249a1d782d87717c4b015d4d8 [0,2,0,0,0,0|1,0,1]=4 5244 B12R1.267 C#CCOCc1ccccc1I b55237ad33efad3e40be49809e0bd348 [0,2,0,0,0,0|1,0,1]=4 5245 B12R1.267 C=CCCNc1ccccc1Br 37a7fd0bd7fb73f23c8f918b46b9e00c [0,2,0,0,0,0|1,0,1]=4 5246 B12R1.267 C=CCCNc1ccccc1C df541d63e20ff1c116138ad19eb821f4 [0,2,0,0,0,0|1,0,1]=4 5247 B12R1.267 C=CCCNc1ccccc1Cl a0986cb3e2e460867f9bc9125fc6dc09 [0,2,0,0,0,0|1,0,1]=4 5248 B12R1.267 C=CCCNc1ccccc1F c41512588e7636f6b55fec4094c7ad72 [0,2,0,0,0,0|1,0,1]=4 5249 B12R1.267 C=CCCNc1ccccc1I 57f61cd52776dda13451bca1590ece17 [0,2,0,0,0,0|1,0,1]=4 5250 B12R1.267 C=CCCNc1ccccc1S 2a7fe2b8fb0f8dcae837780f8598719a [0,2,0,0,0,0|1,0,1]=4 5251 B12R1.267 C=CCCOc1ccccc1Br 912ba6f5ea076bb94894ddede7775d48 [0,2,0,0,0,0|1,0,1]=4 5252 B12R1.267 C=CCCOc1ccccc1C 241fe2af7be327e5af96bf7976d61a5a [0,2,0,0,0,0|1,0,1]=4 5253 B12R1.267 C=CCCOc1ccccc1Cl 821f7bb8c5893e8d97ca0bf08715e3c8 [0,2,0,0,0,0|1,0,1]=4 5254 B12R1.267 C=CCCOc1ccccc1F 788f3585adbc4871182c6b62bcae45ef [0,2,0,0,0,0|1,0,1]=4 5255 B12R1.267 C=CCCOc1ccccc1I 83e53f288002a399103dbbf327de6c80 [0,2,0,0,0,0|1,0,1]=4 5256 B12R1.267 C=CCCOc1ccccc1S 9bb43c6a9949b6d42cef7fe85af51343 [0,2,0,0,0,0|1,0,1]=4 5257 B12R1.267 C=CCNCc1ccccc1Br 1427f19506eac4250122ad8eb8782ad8 [0,2,0,0,0,0|1,0,1]=4 5258 B12R1.267 C=CCNCc1ccccc1C fdca27cc064dcbff6c80b19514d79643 [0,2,0,0,0,0|1,0,1]=4 5259 B12R1.267 C=CCNCc1ccccc1Cl f859a02c3c0d2bc519b3b361ed756b5b [0,2,0,0,0,0|1,0,1]=4 5260 B12R1.267 C=CCNCc1ccccc1F 924890df5ab55f0cda74e162fedc9f64 [0,2,0,0,0,0|1,0,1]=4 5261 B12R1.267 C=CCNCc1ccccc1I db3860688a2053d29699e8b13de354d4 [0,2,0,0,0,0|1,0,1]=4 5262 B12R1.267 C=CCOCc1ccccc1Br d3ccb12e49f9287b3b352ec14ea604a0 [0,2,0,0,0,0|1,0,1]=4 5263 B12R1.267 C=CCOCc1ccccc1C 0af9f2a13fc908e1713936563825fe88 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.267 C=CCOCc1ccccc1Cl 5e72d63283f15a5f9f88481b2d7a5881 [0,2,0,0,0,0|1,0,1]=4 5265 B12R1.267 C=CCOCc1ccccc1F e896fbf9700438cc2bfe31e7ca31924d [0,2,0,0,0,0|1,0,1]=4 5266 B12R1.267 C=CCOCc1ccccc1I e2f2661b91523d2d144da1c77858b612 [0,2,0,0,0,0|1,0,1]=4 5267 B12R1.267 C=CCOCc1ccccc1S 5a033e245e84f0f30931cdda7bbfa848 [0,2,0,0,0,0|1,0,1]=4 5268 B12R1.267 CCCCNc1c[nH]ccc1=O 2171ac1739f21a07081f9ae550f8b6ac [0,2,0,0,0,0|2,0,0]=4 5269 B12R1.267 CCCCNc1c[nH]ccc1=S 80de505aef21eb5fa7069124342902d9 [0,2,0,0,0,0|2,0,0]=4 5270 B12R1.267 CCCCNc1ccc[nH]c1=O ce3e3dbadb26f7436b51db73de858518 [0,2,0,0,0,0|2,0,0]=4 5271 B12R1.267 CCCCNc1ccc[nH]c1=S b876b48cd50df01bff05030a1adde4c2 [0,2,0,0,0,0|2,0,0]=4 5272 B12R1.267 CCCCNc1cccc[n+]1[O-] 3d4bcbc977ce2351df47fd6e0e521d2c [0,2,0,0,0,0|2,0,0]=4 5273 B12R1.267 CCCCNc1ccccc1C cb964fe2d8cfd23c2726cd74a242470b [0,2,0,0,0,0|1,0,0]=3 5274 B12R1.267 CCCCNc1ccccc1Cl 6e7205e8041766fa9aa32cc4e4316fea [0,2,0,0,0,0|1,0,0]=3 5275 B12R1.267 CCCCNc1ccccc1F 93bd26ef4df061c2dc223f5480ce42a3 [0,2,0,0,0,0|1,0,0]=3 5276 B12R1.267 CCCCNc1ccccc1I 8f5af43ba97bf9951ca4d8417a9a57f0 [0,2,0,0,0,0|1,0,0]=3 5277 B12R1.267 CCCCNc1cccnc1Br d3fec478ced1ff0ac4fbfdd57afe172f [0,2,0,0,0,0|2,0,0]=4 5278 B12R1.267 CCCCNc1cccnc1C fad811ff1fa797428fe957bb5e80f5b5 [0,2,0,0,0,0|2,0,0]=4 5279 B12R1.267 CCCCNc1cccnc1Cl ecd1cb3831f5cdfff9b8af4e60d6c2d2 [0,2,0,0,0,0|2,0,0]=4 5280 B12R1.267 CCCCNc1cccnc1F 7ba1ab80518b5062e828d488462f4a2a [0,2,0,0,0,0|2,0,0]=4 5281 B12R1.267 CCCCNc1cccnc1I 9e5a45eda318e7f3ec1ea2b2b4ca580d [0,2,0,0,0,0|2,0,0]=4 5282 B12R1.267 CCCCNc1ccncc1Br 38b090ca0fa5d237d5610ce2c8b20b98 [0,2,0,0,0,0|2,0,0]=4 5283 B12R1.267 CCCCNc1ccncc1C d67d07991761cc4a161bc3b26e7f4ef8 [0,2,0,0,0,0|2,0,0]=4 5284 B12R1.267 CCCCNc1ccncc1Cl 03f85acdcbfb67330f7a401e47a86f4c [0,2,0,0,0,0|2,0,0]=4 5285 B12R1.267 CCCCNc1ccncc1F aad2d25647de24e38769f9c56e6ccf17 [0,2,0,0,0,0|2,0,0]=4 5286 B12R1.267 CCCCNc1ccncc1I 2b4fd0f3bfb9485f6b76852afd0c3b7b [0,2,0,0,0,0|2,0,0]=4 5287 B12R1.267 CCCCNc1cnccc1Br 46f073a4eb1bd7b603173a59f49e462f [0,2,0,0,0,0|2,0,0]=4 5288 B12R1.267 CCCCNc1cnccc1C d787f90e53c25369bc2f084e970b28cf [0,2,0,0,0,0|2,0,0]=4 5289 B12R1.267 CCCCNc1cnccc1Cl 7a5121c3fe1c8fc7bff0ae3db1f40f96 [0,2,0,0,0,0|2,0,0]=4 5290 B12R1.267 CCCCNc1cnccc1F 8064f0adec282f6830fdf8a889ea69a6 [0,2,0,0,0,0|2,0,0]=4 5291 B12R1.267 CCCCNc1cnccc1I fae1a251059b35a37690087eeb65c0aa [0,2,0,0,0,0|2,0,0]=4 5292 B12R1.267 CCCCNc1ncccc1Br 98d92c92f32632a244bed8738209b7df [0,2,0,0,0,0|2,0,0]=4 5293 B12R1.267 CCCCNc1ncccc1C 2e45a4067d865d7da64955a121039499 [0,2,0,0,0,0|2,0,0]=4 5294 B12R1.267 CCCCNc1ncccc1Cl ed6b56853a49eb692493900894acd752 [0,2,0,0,0,0|2,0,0]=4 5295 B12R1.267 CCCCNc1ncccc1F 58ff30c99c1396a51f881d44eff8cf3a [0,2,0,0,0,0|2,0,0]=4 5296 B12R1.267 CCCCNc1ncccc1I 88b4e5d654855dc8008f4dd0d3d049d8 [0,2,0,0,0,0|2,0,0]=4 5297 B12R1.267 CCCCOc1ccc[nH]c1=S 1acec24485cc03175cb8a8431599b7e2 [0,2,0,0,0,0|2,0,0]=4 5298 B12R1.267 CCCCOc1cccc[n+]1[O-] d61ca1438e8f234b267eec7da5f851e7 [0,2,0,0,0,0|2,0,0]=4 5299 B12R1.267 CCCCOc1ccccc1Br bcff99237489f480dc72197e24e0097e [0,2,0,0,0,0|1,0,0]=3 5300 B12R1.267 CCCCOc1ccccc1C 803afc2ce1e6d5fa1371cac971668549 [0,2,0,0,0,0|1,0,0]=3 5301 B12R1.267 CCCCOc1ccccc1Cl 6c2563b268f47d5f170b183906091886 [0,2,0,0,0,0|1,0,0]=3 5302 B12R1.267 CCCCOc1ccccc1F 9ca00bd7723e1d9e4d21ded7a0988504 [0,2,0,0,0,0|1,0,0]=3 5303 B12R1.267 CCCCOc1ccccc1I 08781f94c441e6933e92e36c0080d909 [0,2,0,0,0,0|1,0,0]=3 5304 B12R1.267 CCCCOc1ccccc1S 9afce9d077af63044cd79db09184fde8 [0,2,0,0,0,0|1,0,0]=3 5305 B12R1.267 CCCCOc1cccnc1Br e5d363c5971461c9fcf629544bab4835 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.267 CCCCOc1cccnc1C 84e9fdf2bba58872ffe7a46a67662b35 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.267 CCCCOc1cccnc1Cl 9c008ed381bbb5af2ccef6dd0c23af47 [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.267 CCCCOc1cccnc1F 672bde3c259012fccfe4ad9ca0ceb365 [0,2,0,0,0,0|2,0,0]=4 5309 B12R1.267 CCCCOc1cccnc1I e5ef7f49bc226e5a4fad393c87867486 [0,2,0,0,0,0|2,0,0]=4 5310 B12R1.267 CCCCOc1cccoc1=O fbc49b8367347726350d6c0059a469cb [0,2,0,0,0,0|2,0,0]=4 5311 B12R1.267 CCCCOc1ccncc1Br aee52df2a25f5eb47bdb9a5385ff595e [0,2,0,0,0,0|2,0,0]=4 5312 B12R1.267 CCCCOc1ccncc1C a8a96a8ae5494e782a1db105dc9138fd [0,2,0,0,0,0|2,0,0]=4 5313 B12R1.267 CCCCOc1ccncc1Cl 556a29a7e2ccee3abfdcecfbab9cf385 [0,2,0,0,0,0|2,0,0]=4 5314 B12R1.267 CCCCOc1ccncc1F 91a66c1733d087c0353d655137a8cc68 [0,2,0,0,0,0|2,0,0]=4 5315 B12R1.267 CCCCOc1cnccc1Br 15aeb91f2b6964d7a4aa2b0cdf8bfd7b [0,2,0,0,0,0|2,0,0]=4 5316 B12R1.267 CCCCOc1cnccc1C 3b15574ad4f3c24340def9d6fb0c9767 [0,2,0,0,0,0|2,0,0]=4 5317 B12R1.267 CCCCOc1cnccc1Cl 90c5da1d6f50a5ee2172bbaea5ccf31b [0,2,0,0,0,0|2,0,0]=4 5318 B12R1.267 CCCCOc1cnccc1F c551281e572f34bcd577ada96b64037e [0,2,0,0,0,0|2,0,0]=4 5319 B12R1.267 CCCCOc1cnccc1I 211b8ac06e4b1aba8882b53002ac707f [0,2,0,0,0,0|2,0,0]=4 5320 B12R1.267 CCCCOc1coccc1=O 04c68206066ebe73f7acc5e776ca1f43 [0,2,0,0,0,0|2,0,0]=4 5321 B12R1.267 CCCCOc1ncccc1Br ab5e0f1b04532e99ed34495b6176c96c [0,2,0,0,0,0|2,0,0]=4 5322 B12R1.267 CCCCOc1ncccc1C 9acd3db19edc794136930ecc9d37d4c9 [0,2,0,0,0,0|2,0,0]=4 5323 B12R1.267 CCCCOc1ncccc1Cl 9da828dc387ebb2b2a0c22f9935c3aab [0,2,0,0,0,0|2,0,0]=4 5324 B12R1.267 CCCCOc1ncccc1F c7e9db1d1b3a07ca21a548585494e143 [0,2,0,0,0,0|2,0,0]=4 5325 B12R1.267 CCCCOn1ccccc1=N 32ad87ebf11ce06103d90b026c61e876 [0,2,0,0,0,0|2,0,0]=4 5326 B12R1.267 CCCCOn1ccccc1=O 42c813425d770bfeb2151f1fa43ba34c [0,2,0,0,0,0|2,0,0]=4 5327 B12R1.267 CCCCOn1ccccc1=S c288e4f8eec520decee2174f91202f93 [0,2,0,0,0,0|2,0,0]=4 5328 B12R1.267 CCCNCc1cccc[n+]1[O-] 3f8d2f3f831024e14ee84f8df0789f0c [0,2,0,0,0,0|2,0,0]=4 5329 B12R1.267 CCCNCc1ccccc1Br bd58bf891f73040a234956b6adaf58b7 [0,2,0,0,0,0|1,0,0]=3 5330 B12R1.267 CCCNCc1ccccc1C 050fe1959a544b7272683da7815962b7 [0,2,0,0,0,0|1,0,0]=3 5331 B12R1.267 CCCNCc1ccccc1Cl 9af8efc228c85cb32fd226498427ad88 [0,2,0,0,0,0|1,0,0]=3 5332 B12R1.267 CCCNCc1ccccc1F 10db1bdfdcada70cdd61f937a45d1f2e [0,2,0,0,0,0|1,0,0]=3 5333 B12R1.267 CCCNCc1ccccc1I a2ce2cbd3d3a9276a9c0f47a371bdac6 [0,2,0,0,0,0|1,0,0]=3 5334 B12R1.267 CCCNCc1cccnc1Br 402a94c70b6d2183e3d722edecb4a5f9 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.267 CCCNCc1cccnc1C e1b1b5a8410f06279070c8edcdf17240 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.267 CCCNCc1cccnc1Cl ab3826b70237d838a83d352eac3e41d3 [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.267 CCCNCc1cccnc1F 199c5897eca11fa291c050d6993ed7e7 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.267 CCCNCc1ccncc1Br e9f9882823e68b48ae4a932d82f6ad11 [0,2,0,0,0,0|2,0,0]=4 5339 B12R1.267 CCCNCc1ccncc1C 2ed7bb25324af023967144bd7385c902 [0,2,0,0,0,0|2,0,0]=4 5340 B12R1.267 CCCNCc1ccncc1Cl ce9529e88997d3947366216f8c47ea6d [0,2,0,0,0,0|2,0,0]=4 5341 B12R1.267 CCCNCc1ccncc1F 527f173d2b758d4a87007c0ecef48b68 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.267 CCCNCc1cnccc1C 9bead837e92e04248f1f4a17f6bc75bc [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.267 CCCNCc1ncccc1Br 0ca0f3c5a94b1d72a0af3e923ae6aade [0,2,0,0,0,0|2,0,0]=4 5344 B12R1.267 CCCNCc1ncccc1C d2df36c8f920a1d0503e8cfb0b483277 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.267 CCCNCc1ncccc1Cl 47e4a918c94fbfb20ad65d8ee4ca972e [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.267 CCCNCc1ncccc1F 4525c38f95b8d93501c447beaff3a3d5 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.267 CCCOCc1ccc[nH]c1=O e6acbb43398249bcbb739562d726fb3f [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.267 CCCOCc1cccc[n+]1[O-] 61cbe915a919e734a4bcd748d3747d59 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.267 CCCOCc1ccccc1C 69819a6d99087ea23f1233c6ad1452d2 [0,2,0,0,0,0|1,0,0]=3 5350 B12R1.267 CCCOCc1ccccc1Cl be8fb5e4d0358fc76e083c2c1033dd16 [0,2,0,0,0,0|1,0,0]=3 5351 B12R1.267 CCCOCc1ccccc1F 817daa4caad3d25d218a0e50ef2066fb [0,2,0,0,0,0|1,0,0]=3 5352 B12R1.267 CCCOCc1ccccc1I ce9ddc1d6dd0a2595b0faa5a82ad4942 [0,2,0,0,0,0|1,0,0]=3 5353 B12R1.267 CCCOCc1cccnc1Br 77809bbe385de5a43b12b367d88c71a2 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.267 CCCOCc1cccnc1C 80f08444768dce951386843ce88fb151 [0,2,0,0,0,0|2,0,0]=4 5355 B12R1.267 CCCOCc1cccnc1Cl 4c16458fea46acd0246b70a5f4d58119 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.267 CCCOCc1cccnc1F 82e1bbfcda2532af7c2d1073e1466af8 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.267 CCCOCc1ccncc1Br 64b6d1df5b4d11360abcef9177275c27 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.267 CCCOCc1ccncc1C 7735e31f03b9348d7e7ebc447c03a04d [0,2,0,0,0,0|2,0,0]=4 5359 B12R1.267 CCCOCc1ccncc1Cl 7f115ca68f6129d35dde1f6128d24c23 [0,2,0,0,0,0|2,0,0]=4 5360 B12R1.267 CCCOCc1ccncc1F 54874f40bf1842d019ae5aa557cd3f64 [0,2,0,0,0,0|2,0,0]=4 5361 B12R1.267 CCCOCc1ccncc1I f9ecfd2dc90caa129d74ba3aa4f216e8 [0,2,0,0,0,0|2,0,0]=4 5362 B12R1.267 CCCOCc1cnccc1Br 1cf6735153beedc757fd6466847c1e0e [0,2,0,0,0,0|2,0,0]=4 5363 B12R1.267 CCCOCc1cnccc1C c5527632473ce43017a4a07048be0b6b [0,2,0,0,0,0|2,0,0]=4 5364 B12R1.267 CCCOCc1cnccc1Cl f11ef4b144489d3c93bb53cdc9f987d4 [0,2,0,0,0,0|2,0,0]=4 5365 B12R1.267 CCCOCc1cnccc1F f2cab6e6a0e3930495040aa86cc52368 [0,2,0,0,0,0|2,0,0]=4 5366 B12R1.267 CCCOCc1ncccc1Br 295e33b84a30fea5fd13900f16d144d8 [0,2,0,0,0,0|2,0,0]=4 5367 B12R1.267 CCCOCc1ncccc1C 7c546d71a2c0070eaea514043b7c3a08 [0,2,0,0,0,0|2,0,0]=4 5368 B12R1.267 CCCOCc1ncccc1Cl 1fac8383dbf1b1b1da43cedc31f90683 [0,2,0,0,0,0|2,0,0]=4 5369 B12R1.267 CCCOCc1ncccc1F 6d94624a107964647d0429a2132b9543 [0,2,0,0,0,0|2,0,0]=4 5370 B12R1.267 CCNCCc1ccccc1Cl b462d134ed26b2145f2b3576e4d12230 [0,2,0,0,0,0|1,0,0]=3 5371 B12R1.267 CCNCCc1ccccc1F dee7dcb89926d867dd249445cc929612 [0,2,0,0,0,0|1,0,0]=3 5372 B12R1.267 CCNCCc1ncccc1Br bb73543459a8b8f22656304c282b7a20 [0,2,0,0,0,0|2,0,0]=4 5373 B12R1.267 CCNCCc1ncccc1C 07ded1235abe1d390563f675a302acd3 [0,2,0,0,0,0|2,0,0]=4 5374 B12R1.267 CCNCCn1ccccc1=O 506f5f99c13f40cbc85b2b5102c6d01d [0,2,0,0,0,0|2,0,0]=4 5375 B12R1.267 CCOCCc1ccccc1Br ff423992d371a6fc4a4fd1c88d225519 [0,2,0,0,0,0|1,0,0]=3 5376 B12R1.267 CCOCCc1ccccc1C 60652323b8b6e9b1615ced7c97b2a1b4 [0,2,0,0,0,0|1,0,0]=3 5377 B12R1.267 CCOCCc1ccccc1Cl 69a4003c1b2444e1ffe9dabcded8220b [0,2,0,0,0,0|1,0,0]=3 5378 B12R1.267 CCOCCc1ccccc1F afa3523c66ce915b25923508bd683d81 [0,2,0,0,0,0|1,0,0]=3 5379 B12R1.267 CCOCCc1ccccc1I e3f39fece90b0172c387ddafe972d300 [0,2,0,0,0,0|1,0,0]=3 5380 B12R1.267 CCOCCc1ccncc1C 12f02602e6c331f70a15f40f769e4ea0 [0,2,0,0,0,0|2,0,0]=4 5381 B12R1.267 CCOCCc1ccncc1Cl 153b4f71944f4bedd9c0b4b80c41a4ab [0,2,0,0,0,0|2,0,0]=4 5382 B12R1.267 CCOCCc1ccncc1F 79366eef9c9a11f0763ef0b6ad1ce70e [0,2,0,0,0,0|2,0,0]=4 5383 B12R1.267 CCOCCc1ncccc1C 60823763fced731daa123238a689e3bd [0,2,0,0,0,0|2,0,0]=4 5384 B12R1.267 CCOCCc1ncccc1F 245e4153f4e3b194e41a9f7498437fde [0,2,0,0,0,0|2,0,0]=4 5385 B12R1.267 CCOCCn1ccccc1=O a039d6e7a80464ced710f04fc1b35557 [0,2,0,0,0,0|2,0,0]=4 5386 B12R1.267 CCOCNc1ccccc1I fbeb8312a82b28075d0bb91d0bdb0eba [0,2,0,0,0,0|2,0,0]=4 5387 B12R1.267 CCOCOc1ccccc1Cl 6b95252f205acc38cec8fd01d15e5cbf [0,2,0,0,0,0|2,0,0]=4 5388 B12R1.267 COCCNc1c[nH]ccc1=O 5a64cb0feeb3f3907e02bb41bdd00921 [0,2,0,0,0,0|2,0,0]=4 5389 B12R1.267 COCCNc1ccc[nH]c1=O 23981140f490b112dd10ce8f78b35177 [0,2,0,0,0,0|2,0,0]=4 5390 B12R1.267 COCCNc1ccc[nH]c1=S 4bd147468f63e2406d5017b6a9f79687 [0,2,0,0,0,0|2,0,0]=4 5391 B12R1.267 COCCNc1cccc[n+]1[O-] fc538a03217f606ae7256c7f87ff93b0 [0,2,0,0,0,0|2,0,0]=4 5392 B12R1.267 COCCNc1ccccc1Br 2316346ab9c88084bfe847f7f62a0e78 [0,2,0,0,0,0|1,0,0]=3 5393 B12R1.267 COCCNc1ccccc1C 440ffddaa1772446f34e221fdd9eff58 [0,2,0,0,0,0|1,0,0]=3 5394 B12R1.267 COCCNc1ccccc1Cl 22c9cd1bcd1ad7bf6603d76725704441 [0,2,0,0,0,0|1,0,0]=3 5395 B12R1.267 COCCNc1ccccc1F e1818d70eee674628d30c8a4457d7c70 [0,2,0,0,0,0|1,0,0]=3 5396 B12R1.267 COCCNc1ccccc1I d7458fd5683eab62e6e9336c5bd7b7d2 [0,2,0,0,0,0|1,0,0]=3 5397 B12R1.267 COCCNc1ccccc1S ac2543380377bc26937c025a96dacef0 [0,2,0,0,0,0|1,0,0]=3 5398 B12R1.267 COCCNc1cccnc1Br 747792772e88abc6da296b23685bea6f [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.267 COCCNc1cccnc1C d23ab842ac36f14a95a3352e4019a462 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.267 COCCNc1cccnc1Cl 95660e59a08c74d3b0878847b2a2bd73 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.267 COCCNc1cccnc1F 033161dd296d783d2bb2aaf5041b8d91 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.267 COCCNc1cccnc1I 4ac1d7945aed099c7062922fc5d3188c [0,2,0,0,0,0|2,0,0]=4 5403 B12R1.267 COCCNc1cccoc1=O 2886e27aed05c7c028e8cf635348489e [0,2,0,0,0,0|2,0,0]=4 5404 B12R1.267 COCCNc1ccncc1Br 52cf8bd877f1cedf8b7469bb1e158e7e [0,2,0,0,0,0|2,0,0]=4 5405 B12R1.267 COCCNc1ccncc1C 8946e86872fbb074a0aa8d067674f639 [0,2,0,0,0,0|2,0,0]=4 5406 B12R1.267 COCCNc1ccncc1Cl 3afbfa9103671ef8a5a75521e58eb37d [0,2,0,0,0,0|2,0,0]=4 5407 B12R1.267 COCCNc1ccncc1F ba8efa866652c20c2d8f7d6b18ee2fc6 [0,2,0,0,0,0|2,0,0]=4 5408 B12R1.267 COCCNc1ccncc1I b45848358dfb0d6a3872667d37705cf7 [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.267 COCCNc1cnccc1Br abaa58df16528e3dcb1f0858b8238a07 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.267 COCCNc1cnccc1C 80cb9dbc44d2dbe0ed38def93cb6bddb [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.267 COCCNc1cnccc1Cl 1631b25d88df3e2b5d3e2582751c1608 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.267 COCCNc1cnccc1F 24323ef59c63d5f66e065924b3a9ea39 [0,2,0,0,0,0|2,0,0]=4 5413 B12R1.267 COCCNc1cnccc1I b7ba19eb426ff4ae8b93eac3234cddfd [0,2,0,0,0,0|2,0,0]=4 5414 B12R1.267 COCCNc1cnccc1S 23e2255852e116fbe02915f37cbf7c17 [0,2,0,0,0,0|2,0,0]=4 5415 B12R1.267 COCCNc1ncccc1Br a604ebf2cf2b906d82c9de5b92a8bea1 [0,2,0,0,0,0|2,0,0]=4 5416 B12R1.267 COCCNc1ncccc1C b200439ebeebfb9b80997fa3d6e74c08 [0,2,0,0,0,0|2,0,0]=4 5417 B12R1.267 COCCNc1ncccc1Cl eac58380cc0bde315f54a867360b9693 [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.267 COCCNc1ncccc1F db9e27fceea2d4bcb23689a4f2e4f4ee [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.267 COCCNc1ncccc1I 0bf1d1e5054f49afecfee14ec757f447 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.267 COCCNc1ncccc1O e8df3468a5d78b0d5e1f950442f68888 [0,2,0,0,0,0|2,0,0]=4 5421 B12R1.267 COCCOc1ccc[nH]c1=S ce90dc61f435906da4a6770a64c3c20f [0,2,0,0,0,0|2,0,0]=4 5422 B12R1.267 COCCOc1cccc[n+]1[O-] da17a0e963db3c1f655b4ca490dc3cfd [0,2,0,0,0,0|2,0,0]=4 5423 B12R1.267 COCCOc1ccccc1Br 269ff3ba6771bca876eb0237f38698b5 [0,2,0,0,0,0|1,0,0]=3 5424 B12R1.267 COCCOc1ccccc1C d1a4078b5d8b7f06fefaa8a04a5a197e [0,2,0,0,0,0|1,0,0]=3 5425 B12R1.267 COCCOc1ccccc1Cl 310103c01f49e38bf9b89eb56adc9dcd [0,2,0,0,0,0|1,0,0]=3 5426 B12R1.267 COCCOc1ccccc1F a71971d185ec2566b27b95f9dfa9183e [0,2,0,0,0,0|1,0,0]=3 5427 B12R1.267 COCCOc1ccccc1I 5fb711a5f8e107d6d4a36d7a8a50ed45 [0,2,0,0,0,0|1,0,0]=3 5428 B12R1.267 COCCOc1ccccc1S c61bd9f6f038f9291ed764f12135eb69 [0,2,0,0,0,0|1,0,0]=3 5429 B12R1.267 COCCOc1cccnc1Br 69b7e318c230e7bb90ba87238d32734d [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.267 COCCOc1cccnc1C a7b2c65558a747fc887236e8865f3eb3 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.267 COCCOc1cccnc1Cl 5e76b5a8aadb17e5213ae769dca84ee3 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.267 COCCOc1cccnc1F c47da2c6721ec699d8aba3b273df642c [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.267 COCCOc1cccnc1I cd01d8123478c3a9154d37e6a3e611aa [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.267 COCCOc1cccoc1=O 11ed5aba4e2c6e4772234d6fbc948df3 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.267 COCCOc1ccncc1Br d9306d35dec116c22ab4cd91b0bf747a [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.267 COCCOc1ccncc1C 382f8bb63ceff49efb618d02980c2179 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.267 COCCOc1ccncc1Cl 75f42c8c8b3c523635c8ca69dba23063 [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.267 COCCOc1ccncc1F 3aefe56a93975552a70c740165789b07 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.267 COCCOc1cnccc1Br 57c6632476d4462d66e3dd55f101ca70 [0,2,0,0,0,0|2,0,0]=4 5440 B12R1.267 COCCOc1cnccc1C ef59b079a9b2f865601130710aee1c9c [0,2,0,0,0,0|2,0,0]=4 5441 B12R1.267 COCCOc1cnccc1Cl b0b6ba90fbb8566280d73628cd635330 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.267 COCCOc1cnccc1F c91ca3cedbce1709674baaaa77681ae3 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.267 COCCOc1cnccc1I b35a9aa66efbd252b237bec9849956ef [0,2,0,0,0,0|2,0,0]=4 5444 B12R1.267 COCCOc1coccc1=O 23013c2b12b826bc62674714709329af [0,2,0,0,0,0|2,0,0]=4 5445 B12R1.267 COCCOc1ncccc1Br 237777dd11fb61b520b4152aaef37661 [0,2,0,0,0,0|2,0,0]=4 5446 B12R1.267 COCCOc1ncccc1C 216a0d3c2273c6e254118577a20283d0 [0,2,0,0,0,0|2,0,0]=4 5447 B12R1.267 COCCOc1ncccc1Cl 506e5d1836d46b9486c7e2f295b70ded [0,2,0,0,0,0|2,0,0]=4 5448 B12R1.267 COCCOc1ncccc1F e1c0d699796f8f5be68de7af5a1324ba [0,2,0,0,0,0|2,0,0]=4 5449 B12R1.267 COCCOn1ccccc1=N 13015ff8ac4e2b67331ea97752acbbf0 [0,2,0,0,0,0|2,0,0]=4 5450 B12R1.267 COCCOn1ccccc1=O df7afbf98570b20a240740b67768ac2b [0,2,0,0,0,0|2,0,0]=4 5451 B12R1.267 COCCOn1ccccc1=S d821916d7e4ec6215f8f33f5e6d35171 [0,2,0,0,0,0|2,0,0]=4 5452 B12R1.267 COCNCc1cccc[n+]1[O-] d6d65297cd199f36e068b181f57ad367 [0,2,0,0,0,0|2,0,0]=4 5453 B12R1.267 COCNCc1ccccc1Br b237780edc7e0e7084c58a3782b8f3d4 [0,2,0,0,0,0|1,0,0]=3 5454 B12R1.267 COCNCc1ccccc1C 0cee05accc446e8ea1175470ca772094 [0,2,0,0,0,0|1,0,0]=3 5455 B12R1.267 COCNCc1ccccc1Cl 462467d30ed83a7699177d39d3791eb2 [0,2,0,0,0,0|1,0,0]=3 5456 B12R1.267 COCNCc1ccccc1F ccf1619ef238a69fb648cb5390ba9858 [0,2,0,0,0,0|1,0,0]=3 5457 B12R1.267 COCNCc1ccccc1I cbb778473389aa3adf4240ac9b0e4733 [0,2,0,0,0,0|1,0,0]=3 5458 B12R1.267 COCNCc1cccnc1Br 73dac587102160f722969927ba0060c4 [0,2,0,0,0,0|2,0,0]=4 5459 B12R1.267 COCNCc1cccnc1C ec56e4a453b6a557f077d8574c4268a2 [0,2,0,0,0,0|2,0,0]=4 5460 B12R1.267 COCNCc1cccnc1Cl f18f1439e5ef34fc210df8fb824846f0 [0,2,0,0,0,0|2,0,0]=4 5461 B12R1.267 COCNCc1cccnc1F 572757419453222078f4d5b4960ef984 [0,2,0,0,0,0|2,0,0]=4 5462 B12R1.267 COCNCc1ccncc1Br e5e60cf702f97a31392d9b83a07d30ea [0,2,0,0,0,0|2,0,0]=4 5463 B12R1.267 COCNCc1ccncc1C 16e61c53a2243c4b19a16333f819207b [0,2,0,0,0,0|2,0,0]=4 5464 B12R1.267 COCNCc1ccncc1Cl 198665026af421ea90ba51672b86db47 [0,2,0,0,0,0|2,0,0]=4 5465 B12R1.267 COCNCc1ccncc1F 68cf9544618285bea861218b519b62db [0,2,0,0,0,0|2,0,0]=4 5466 B12R1.267 COCNCc1cnccc1C 6e8084e817d856e173fe608552f010c8 [0,2,0,0,0,0|2,0,0]=4 5467 B12R1.267 COCNCc1ncccc1Br 8861e3cb888c88f5e3ff7cf36ac4459c [0,2,0,0,0,0|2,0,0]=4 5468 B12R1.267 COCNCc1ncccc1C cc078bd001157d252ec034e7f311fc3d [0,2,0,0,0,0|2,0,0]=4 5469 B12R1.267 COCNCc1ncccc1Cl 0b7c3ac3dc396d8ebde2008fe6df39be [0,2,0,0,0,0|2,0,0]=4 5470 B12R1.267 COCNCc1ncccc1F a031a9b80ca52defc805ddb3587bb316 [0,2,0,0,0,0|2,0,0]=4 5471 B12R1.267 COCOCc1ccc[nH]c1=O 785e6d209798b19facf726caed7f42f2 [0,2,0,0,0,0|2,0,0]=4 5472 B12R1.267 COCOCc1ccccc1Br bfa4b5bd5970ee9c9b7435f6cb7658a4 [0,2,0,0,0,0|1,0,0]=3 5473 B12R1.267 COCOCc1ccccc1C 72d2b2b099b7f2ec40fa5e1d9474c39e [0,2,0,0,0,0|1,0,0]=3 5474 B12R1.267 COCOCc1ccccc1Cl 69343f28b8b2c88962ef03b7c8399d31 [0,2,0,0,0,0|1,0,0]=3 5475 B12R1.267 COCOCc1ccccc1F eebdc39702ad7fc25bd356221ffea205 [0,2,0,0,0,0|1,0,0]=3 5476 B12R1.267 COCOCc1ccccc1I 0eda0999da600bcd5be24d5bcde342f9 [0,2,0,0,0,0|1,0,0]=3 5477 B12R1.267 COCOCc1ccccc1S ac5a2c9358d2dfcc9af283f6bdd670ac [0,2,0,0,0,0|1,0,0]=3 5478 B12R1.267 COCOCc1cccnc1Br c415e4ce9ab54241b076faac25dc3099 [0,2,0,0,0,0|2,0,0]=4 5479 B12R1.267 COCOCc1cccnc1C dc5100227cbf805cfcc990c503d7232a [0,2,0,0,0,0|2,0,0]=4 5480 B12R1.267 COCOCc1cccnc1Cl 1a41e170c0a5eb11ac539c85ad858c10 [0,2,0,0,0,0|2,0,0]=4 5481 B12R1.267 COCOCc1cccnc1F edee786a8c12acc58c1d1770763df6fa [0,2,0,0,0,0|2,0,0]=4 5482 B12R1.267 COCOCc1ccncc1Br 10437177a49b7400bc98878cb53dd8f3 [0,2,0,0,0,0|2,0,0]=4 5483 B12R1.267 COCOCc1ccncc1C 4862c933baef1f14c8b5175d841efc61 [0,2,0,0,0,0|2,0,0]=4 5484 B12R1.267 COCOCc1ccncc1Cl a34e8c17c18287442f467166d090e677 [0,2,0,0,0,0|2,0,0]=4 5485 B12R1.267 COCOCc1ccncc1F 447138e8a666faa258427d88650e0d8d [0,2,0,0,0,0|2,0,0]=4 5486 B12R1.267 COCOCc1ccncc1I ba04820259fe93d54938488aab1dadda [0,2,0,0,0,0|2,0,0]=4 5487 B12R1.267 COCOCc1cnccc1Br ba9a85d83cadd24b457babe9832a4f2e [0,2,0,0,0,0|2,0,0]=4 5488 B12R1.267 COCOCc1cnccc1C f4f5293eecc484b595b294b42aaf6241 [0,2,0,0,0,0|2,0,0]=4 5489 B12R1.267 COCOCc1cnccc1Cl 2e39c37bceb431977431aed64087de38 [0,2,0,0,0,0|2,0,0]=4 5490 B12R1.267 COCOCc1cnccc1F d7374d542109f07744eec3d8c1ea536d [0,2,0,0,0,0|2,0,0]=4 5491 B12R1.267 COCOCc1ncccc1Br 45361cea6ac7c6d48eb1c5de6070ce83 [0,2,0,0,0,0|2,0,0]=4 5492 B12R1.267 COCOCc1ncccc1C 594ada32c6d5e2500358d6514bc9c924 [0,2,0,0,0,0|2,0,0]=4 5493 B12R1.267 COCOCc1ncccc1Cl 89d47458dbea593c980b129190b5ae96 [0,2,0,0,0,0|2,0,0]=4 5494 B12R1.267 COCOCc1ncccc1F 75b94ec0b877f2d9d32457351b90774d [0,2,0,0,0,0|2,0,0]=4 5495 B12R1.267 CSCCNc1ccccc1Br 89f896b7ac37f3ff5e29ed57ee03acae [0,2,0,0,0,0|1,1,0]=4 5496 B12R1.267 CSCCNc1ccccc1C a602aae8e2436b54decd8465bcef52b3 [0,2,0,0,0,0|1,1,0]=4 5497 B12R1.267 CSCCNc1ccccc1Cl 1e4317efcab81ecd52bdd5935b072af9 [0,2,0,0,0,0|1,1,0]=4 5498 B12R1.267 CSCCNc1ccccc1F e263ac1957660b93601a70cc4e4ea086 [0,2,0,0,0,0|1,1,0]=4 5499 B12R1.267 CSCCNc1ccccc1I 50dc8a75e2dd87829cebe11ed891b3e1 [0,2,0,0,0,0|1,1,0]=4 5500 B12R1.267 CSCCNc1ccccc1S 563a1d81ad072cd0e10bb3bb0a36dcef [0,2,0,0,0,0|1,1,0]=4 5501 B12R1.267 CSCCOc1ccccc1Br 8581414fdfa463e59db6a516f52cd509 [0,2,0,0,0,0|1,1,0]=4 5502 B12R1.267 CSCCOc1ccccc1C 3a190489aede5345d1d05632cac537ca [0,2,0,0,0,0|1,1,0]=4 5503 B12R1.267 CSCCOc1ccccc1Cl bd29c90b63f15c078d63ef35d2524b5d [0,2,0,0,0,0|1,1,0]=4 5504 B12R1.267 CSCCOc1ccccc1F 5e9c59f726c5c4fa708074cde48b4a7b [0,2,0,0,0,0|1,1,0]=4 5505 B12R1.267 CSCCOc1ccccc1I f7094c1aa5023573c6451d1e7ff86e0d [0,2,0,0,0,0|1,1,0]=4 5506 B12R1.267 CSCCOc1ccccc1S c0b5e2ff8d7489f9bd32e18a82064c65 [0,2,0,0,0,0|1,1,0]=4 5507 B12R1.267 CSCNCc1ccccc1Cl 92179a05b0923c81723b70dcc861bfb8 [0,2,0,0,0,0|1,1,0]=4 5508 B12R1.267 CSCNCc1ccccc1F f88a948e935d1f07436a075dc120a40a [0,2,0,0,0,0|1,1,0]=4 5509 B12R1.267 CSCNCc1ccccc1I 980e1aec5f2b58f5eb35e241e05c7f0f [0,2,0,0,0,0|1,1,0]=4 5510 B12R1.267 CSCOCc1ccccc1Cl 1d5a9e1fa52b8915eeebbb38cbfdb556 [0,2,0,0,0,0|1,1,0]=4 5511 B12R1.267 CSCOCc1ccccc1F 4038eb8093f67e51c2eb76b0108c4e61 [0,2,0,0,0,0|1,1,0]=4 5512 B12R1.267 CSCOCc1ccccc1I b3c3bb5963de95894f4aab5be38b7580 [0,2,0,0,0,0|1,1,0]=4 5513 B12R1.267 Cc1ccccc1CCNC=O 79b73b98e8849e560497af1b05746d24 [0,2,0,0,0,0|0,0,2]=4 5514 B12R1.267 Cc1ccccc1CCOCF 25f7145d6fc74add80093b665dc4393f [0,2,0,0,0,0|1,0,0]=3 5515 B12R1.267 Cc1ccccc1CNCC#N 9ef3f2295981a8a7858a03e4d84476b0 [0,2,0,0,0,0|1,0,1]=4 5516 B12R1.267 Cc1ccccc1CNCC=O 7ed1edf5a061eaff5729d7655a5f8926 [0,2,0,0,0,0|0,0,2]=4 5517 B12R1.267 Cc1ccccc1CNCCBr f77310b29a912c999237b2739aa1210c [0,2,0,0,0,0|1,0,0]=3 5518 B12R1.267 Cc1ccccc1CNCCF 2098ce6c3ac26037f1429812f234d51f [0,2,0,0,0,0|1,0,0]=3 5519 B12R1.267 Cc1ccccc1CNCCI fc22bac86bb7aed276187f2f15c5f39c [0,2,0,0,0,0|1,0,0]=3 5520 B12R1.267 Cc1ccccc1CNCCO 91e2522e5fd17c1e59cb7a4547ef3a2a [0,2,0,0,0,0|0,0,0]=2 5521 B12R1.267 Cc1ccccc1CNCCS 518bc80a508cefc73ae1e4b1db664c64 [0,2,0,0,0,0|0,1,0]=3 5522 B12R1.267 Cc1ccccc1COCC#N 07f7ead490993d034d6706e5b16aba7a [0,2,0,0,0,0|1,0,1]=4 5523 B12R1.267 Cc1ccccc1COCC=O 1072790a37d89897fde03f06fbe2d852 [0,2,0,0,0,0|0,0,2]=4 5524 B12R1.267 Cc1ccccc1COCCF b62a57d7c0fa269c712aedbbb80a9625 [0,2,0,0,0,0|1,0,0]=3 5525 B12R1.267 Cc1ccccc1COCCS aef395cc1a408662a0ccc964cffa43b5 [0,2,0,0,0,0|0,1,0]=3 5526 B12R1.267 Cc1ccccc1NC/C=C\O e209ed49eeb2421b7d0894c2af288847 [0,2,0,0,0,0|0,0,2]=4 5527 B12R1.267 Cc1ccccc1NCCC#N ce8a05417d9be1cda3ee1838837d3277 [0,2,0,0,0,0|1,0,1]=4 5528 B12R1.267 Cc1ccccc1NCCC=O 1fe23c766157e1bf7b47279fc74567a0 [0,2,0,0,0,0|0,0,2]=4 5529 B12R1.267 Cc1ccccc1NCCCCl 3f07cd3fee639e67367fcbefe2480469 [0,2,0,0,0,0|1,0,0]=3 5530 B12R1.267 Cc1ccccc1NCCCF cd187669e045c403fa041057668289e1 [0,2,0,0,0,0|1,0,0]=3 5531 B12R1.267 Cc1ccccc1NCCCO 5cbc6801488d8693795187d1801221e4 [0,2,0,0,0,0|0,0,0]=2 5532 B12R1.267 Cc1ccccc1NCCCS 775c2d60048baf56f754562db9cc458f [0,2,0,0,0,0|0,1,0]=3 5533 B12R1.267 Cc1ccccc1NCCON 5748d97c6209b4e72d0f53729eb7c34a [0,2,0,0,0,0|1,0,0]=3 5534 B12R1.267 Cc1ccccc1OCCC#N c8dfae7dcecf4982bbb9b3453f10c618 [0,2,0,0,0,0|1,0,1]=4 5535 B12R1.267 Cc1ccccc1OCCC=O c586d047c8f0432e9537c54c6c57cadd [0,2,0,0,0,0|0,0,2]=4 5536 B12R1.267 Cc1ccccc1OCCCF 17ac468fc98fd39c18bafba1086884be [0,2,0,0,0,0|1,0,0]=3 5537 B12R1.267 Cc1ccccc1OCCCS 6c40726109b118213fac4182f37514c3 [0,2,0,0,0,0|0,1,0]=3 5538 B12R1.267 Cc1cccnc1CCNCF eb0717bd4d5ea35d5647008effe15b74 [0,2,0,0,0,0|2,0,0]=4 5539 B12R1.267 Cc1cccnc1CCNCO e253839bc633e5edad49b49eda83a513 [0,2,0,0,0,0|1,0,0]=3 5540 B12R1.267 Cc1cccnc1CCOCF f6173b8916a000e8b7a7bd5b839c7c93 [0,2,0,0,0,0|2,0,0]=4 5541 B12R1.267 Cc1cccnc1CNCCBr b35b37042e8a1c6a5f9352bc6634afd1 [0,2,0,0,0,0|2,0,0]=4 5542 B12R1.267 Cc1cccnc1CNCCF 11fe506df7edc498f1e18a83f96b32db [0,2,0,0,0,0|2,0,0]=4 5543 B12R1.267 Cc1cccnc1CNCCI 76a7e206f096266587d5090036a38428 [0,2,0,0,0,0|2,0,0]=4 5544 B12R1.267 Cc1cccnc1CNCCO f4a4a15e15a497604f0f30e1f7591ae6 [0,2,0,0,0,0|1,0,0]=3 5545 B12R1.267 Cc1cccnc1CNCCS 23d97bd7ae67cebc44af2f509c49226f [0,2,0,0,0,0|1,1,0]=4 5546 B12R1.267 Cc1cccnc1COCCF 3611952ab6ea8221a19acd11bca6ab76 [0,2,0,0,0,0|2,0,0]=4 5547 B12R1.267 Cc1cccnc1COCCS bcd24748e7f4e18eab1f2dd789fa3cbb [0,2,0,0,0,0|1,1,0]=4 5548 B12R1.267 Cc1cccnc1NCCCCl de0193500aa7dbc92eadd43b1fe66c31 [0,2,0,0,0,0|2,0,0]=4 5549 B12R1.267 Cc1cccnc1NCCCF 12d0d996cc67c4c4ac53b08baace4e71 [0,2,0,0,0,0|2,0,0]=4 5550 B12R1.267 Cc1cccnc1NCCCO 15026fb416ff943623d07e1c8c3b34ad [0,2,0,0,0,0|1,0,0]=3 5551 B12R1.267 Cc1cccnc1NCCCS 324901d4c81096901abfb6b8bd89358a [0,2,0,0,0,0|1,1,0]=4 5552 B12R1.267 Cc1cccnc1NCCON 867993fcfdcdfbc736b8074894ac84d1 [0,2,0,0,0,0|2,0,0]=4 5553 B12R1.267 Cc1cccnc1OCCCF 5b7ddc4f0cd439ce108ebf48fd40b2d8 [0,2,0,0,0,0|2,0,0]=4 5554 B12R1.267 Cc1cccnc1OCCCS 43ddf9f0294cde1bac9fe1c980368a18 [0,2,0,0,0,0|1,1,0]=4 5555 B12R1.267 Cc1ccncc1CNCCF b4f93c9c52939e98a07b67bcc17bba93 [0,2,0,0,0,0|2,0,0]=4 5556 B12R1.267 Cc1ccncc1CNCCO 6f7a23dcf6c77a234815be306767a2bc [0,2,0,0,0,0|1,0,0]=3 5557 B12R1.267 Cc1ccncc1CNCCS f39aee396cb6d452c1ded7a4de680d80 [0,2,0,0,0,0|1,1,0]=4 5558 B12R1.267 Cc1ccncc1COCCF 1180db5f34e57db73ac4c36b37d4a78d [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.267 Cc1ccncc1COCCS 649ca42957fef069794a615ac1a8dddf [0,2,0,0,0,0|1,1,0]=4 5560 B12R1.267 Cc1ccncc1NCCCCl df460866d18a9e9f50d29fc139359c43 [0,2,0,0,0,0|2,0,0]=4 5561 B12R1.267 Cc1ccncc1NCCCF 4125fa365b874ecc8852fc18d0e1c2db [0,2,0,0,0,0|2,0,0]=4 5562 B12R1.267 Cc1ccncc1NCCCO ec333ad8dd80293b152587e234ea3761 [0,2,0,0,0,0|1,0,0]=3 5563 B12R1.267 Cc1ccncc1NCCCS d482eceb4d0fc38e563a0d1f906ca41a [0,2,0,0,0,0|1,1,0]=4 5564 B12R1.267 Cc1ccncc1NCCON 58dee794ac7b6bbac2b8a96198f77782 [0,2,0,0,0,0|2,0,0]=4 5565 B12R1.267 Cc1ccncc1OCCCF ead33635d84dd89e2b9c1e6ed06a99ba [0,2,0,0,0,0|2,0,0]=4 5566 B12R1.267 Cc1ccncc1OCCCS 1b6efd473084c8e06ab2f1edc668ca5a [0,2,0,0,0,0|1,1,0]=4 5567 B12R1.267 Cc1ccnnc1CNCCO 64827c9636bbec17c898ef82ac5d17e0 [0,2,0,0,0,0|2,0,0]=4 5568 B12R1.267 Cc1ccnnc1NCCCO 205a612ffcd77b8904f4a629d47fdb33 [0,2,0,0,0,0|2,0,0]=4 5569 B12R1.267 Cc1cnccc1CCOCF 643f77cea3ec44efeb18aba9cf346fc5 [0,2,0,0,0,0|2,0,0]=4 5570 B12R1.267 Cc1cnccc1CNCCF 3d671a0cf00828f45f7642c89916e4c0 [0,2,0,0,0,0|2,0,0]=4 5571 B12R1.267 Cc1cnccc1CNCCO 88cbe93e630fb387a0f57555b499974b [0,2,0,0,0,0|1,0,0]=3 5572 B12R1.267 Cc1cnccc1CNCCS 2ac2b2f3f90a88494d85a166c170a05b [0,2,0,0,0,0|1,1,0]=4 5573 B12R1.267 Cc1cnccc1COCCF 690e90e1e6de73d949bc875072ad6487 [0,2,0,0,0,0|2,0,0]=4 5574 B12R1.267 Cc1cnccc1COCCS 346081708316392ee7db9f0620783b9e [0,2,0,0,0,0|1,1,0]=4 5575 B12R1.267 Cc1cnccc1NCCCCl ea21a872ffe6d521f3ba5ce8fd2fc77e [0,2,0,0,0,0|2,0,0]=4 5576 B12R1.267 Cc1cnccc1NCCCF 06f7a6adb647ffab88e425a2ac850e19 [0,2,0,0,0,0|2,0,0]=4 5577 B12R1.267 Cc1cnccc1NCCCO 7b6fa15750402cc869499d5e3049ca5d [0,2,0,0,0,0|1,0,0]=3 5578 B12R1.267 Cc1cnccc1NCCCS c72e0448aebab3bff880ce5fec7a9520 [0,2,0,0,0,0|1,1,0]=4 5579 B12R1.267 Cc1cnccc1NCCON 8a915f50810408fc316933e0e8c959b5 [0,2,0,0,0,0|2,0,0]=4 5580 B12R1.267 Cc1cnccc1OCCCF ecd9554c00b512a70bccaf32ee621727 [0,2,0,0,0,0|2,0,0]=4 5581 B12R1.267 Cc1cnccc1OCCCS d27fea0a7575f35a193a6a072467b93b [0,2,0,0,0,0|1,1,0]=4 5582 B12R1.267 Cc1cncnc1NCCCO d8156a5c2cc490d43f0fbc78c50c9a73 [0,2,0,0,0,0|2,0,0]=4 5583 B12R1.267 Cc1ncccc1CNCCBr db6b7d9ca569559d495069e794a1f6d8 [0,2,0,0,0,0|2,0,0]=4 5584 B12R1.267 Cc1ncccc1CNCCF cd35e29c11323d4cfb87cc2356cbc6ca [0,2,0,0,0,0|2,0,0]=4 5585 B12R1.267 Cc1ncccc1CNCCI 231a8832c8befc7240d759ebe93f697c [0,2,0,0,0,0|2,0,0]=4 5586 B12R1.267 Cc1ncccc1CNCCO 71416b5252b92eeb709fed1acac7e981 [0,2,0,0,0,0|1,0,0]=3 5587 B12R1.267 Cc1ncccc1CNCCS 56118638a3de52a878db96ff271e08ff [0,2,0,0,0,0|1,1,0]=4 5588 B12R1.267 Cc1ncccc1COCCF b25a8736dbfec7097fda151df5666150 [0,2,0,0,0,0|2,0,0]=4 5589 B12R1.267 Cc1ncccc1COCCS 01ab315310555135a2c3de44b4468c08 [0,2,0,0,0,0|1,1,0]=4 5590 B12R1.267 Cc1ncccc1NCCCCl 6dbf5022db6f6c7f0155955706fbc23f [0,2,0,0,0,0|2,0,0]=4 5591 B12R1.267 Cc1ncccc1NCCCF 478262b397898cf5d274b64329d61807 [0,2,0,0,0,0|2,0,0]=4 5592 B12R1.267 Cc1ncccc1NCCCO 8d24b3a053966eba9ecafe5fd5c54384 [0,2,0,0,0,0|1,0,0]=3 5593 B12R1.267 Cc1ncccc1NCCCS acccca1fd1a871df9c257fe78bd57ff7 [0,2,0,0,0,0|1,1,0]=4 5594 B12R1.267 Cc1ncccc1NCCON f2d25a2ecd74e4df0a411c39ca51af9d [0,2,0,0,0,0|2,0,0]=4 5595 B12R1.267 Cc1ncccc1OCCCF 7298859a90b320608b5e3c542c1d45b2 [0,2,0,0,0,0|2,0,0]=4 5596 B12R1.267 Cc1ncccc1OCCCS 5199fdf6be75848730df191edaceadc7 [0,2,0,0,0,0|1,1,0]=4 5597 B12R1.267 Cc1nccnc1CNCCO cd8c0724a8a01ef46ae01793a8454746 [0,2,0,0,0,0|2,0,0]=4 5598 B12R1.267 Cc1nccnc1NCCCO 73ddaee80c6babf167d9427504b9802c [0,2,0,0,0,0|2,0,0]=4 5599 B12R1.267 Cc1ncncc1NCCCO 2d638518f25c7397dbcb8fcd31dc0986 [0,2,0,0,0,0|2,0,0]=4 5600 B12R1.267 Cc1nnccc1NCCCO b9b3573a1377adb889e4b80cc01cd3b0 [0,2,0,0,0,0|2,0,0]=4 5601 B12R1.267 Clc1ccccc1CNCCBr 9b09944bc517f8abdc4e72ad121b2a36 [0,2,0,0,0,0|1,0,0]=3 5602 B12R1.267 Clc1ccccc1CNCCI c20f3a099731b307fa4ff0374c509584 [0,2,0,0,0,0|1,0,0]=3 5603 B12R1.267 Clc1cccnc1CNCCBr a2b61f32566a12efabeb3b206ef6f610 [0,2,0,0,0,0|2,0,0]=4 5604 B12R1.267 Clc1cccnc1CNCCI b604a2c1e007997d9f18d404d1cc5f6e [0,2,0,0,0,0|2,0,0]=4 5605 B12R1.267 Clc1cnccc1CNCCBr 80db5c05884f34c6aaa02ae7d07be158 [0,2,0,0,0,0|2,0,0]=4 5606 B12R1.267 Clc1cnccc1CNCCI 7aead1c2d51af2cc4b247bdefcc956da [0,2,0,0,0,0|2,0,0]=4 5607 B12R1.267 Clc1ncccc1CNCCBr 4cf08dabbf583c2f152415b86dd1d1e3 [0,2,0,0,0,0|2,0,0]=4 5608 B12R1.267 Clc1ncccc1CNCCI 8317a80413c0dc052fb64ded5b85414b [0,2,0,0,0,0|2,0,0]=4 5609 B12R1.267 FCCCNc1ccc[nH]c1=S fff32e340bf794db78ac9f192eb208bb [0,2,0,0,0,0|2,0,0]=4 5610 B12R1.267 FCCCNc1ccccc1Cl 17fac0f3c0fe16e84554f273210a739d [0,2,0,0,0,0|1,0,0]=3 5611 B12R1.267 FCCCNc1ccccc1F bebe212963a66c49720b2be585ecd4c7 [0,2,0,0,0,0|1,0,0]=3 5612 B12R1.267 FCCCNc1ccccc1I a7a4a61d30d1fccf35b205460629f6d9 [0,2,0,0,0,0|1,0,0]=3 5613 B12R1.267 FCCCNc1ccccc1S 1fc063029a53aaa93c66ffdbd6720722 [0,2,0,0,0,0|1,0,0]=3 5614 B12R1.267 FCCCNc1cccnc1Br 9eec10bf21cc4f166a9feeb1223a419e [0,2,0,0,0,0|2,0,0]=4 5615 B12R1.267 FCCCNc1cccnc1Cl ede155249ca642f9e1868758c1a987dc [0,2,0,0,0,0|2,0,0]=4 5616 B12R1.267 FCCCNc1cccnc1F 1219b577e925bdb2e96c8b5278b2ae45 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.267 FCCCNc1cccnc1I 33ba91444dd137d9494c3b1d300a54e0 [0,2,0,0,0,0|2,0,0]=4 5618 B12R1.267 FCCCNc1ccncc1Br e7085754cbcbf5ce5ba63d273290656b [0,2,0,0,0,0|2,0,0]=4 5619 B12R1.267 FCCCNc1ccncc1Cl 894ca2b830fed4c203fd1c2f6161f0c7 [0,2,0,0,0,0|2,0,0]=4 5620 B12R1.267 FCCCNc1ccncc1F 65d9c0d8035bd3b31317c837b473dd68 [0,2,0,0,0,0|2,0,0]=4 5621 B12R1.267 FCCCNc1ccncc1I f5f5ba348102e9cb3a80f39db3bdd74f [0,2,0,0,0,0|2,0,0]=4 5622 B12R1.267 FCCCNc1cnccc1Br c98a1376890d735f778324ac313f64e3 [0,2,0,0,0,0|2,0,0]=4 5623 B12R1.267 FCCCNc1cnccc1Cl f96030630e02a2894cd37f0d03c1c211 [0,2,0,0,0,0|2,0,0]=4 5624 B12R1.267 FCCCNc1cnccc1F f2c6bc0feeeb47dde9a309444c783780 [0,2,0,0,0,0|2,0,0]=4 5625 B12R1.267 FCCCNc1cnccc1I 8c500f22bb2e53050b9e8bed3bb16d41 [0,2,0,0,0,0|2,0,0]=4 5626 B12R1.267 FCCCNc1cnccc1S c093f00703ad2837fab73fdbf6cbbf0e [0,2,0,0,0,0|2,0,0]=4 5627 B12R1.267 FCCCNc1ncccc1Br 6933b125fcfcc8bac7df4bcb120f6bf7 [0,2,0,0,0,0|2,0,0]=4 5628 B12R1.267 FCCCNc1ncccc1Cl dd792ed4ab2f78e8350d8f36f1637875 [0,2,0,0,0,0|2,0,0]=4 5629 B12R1.267 FCCCNc1ncccc1F 0305dfb0c3b0f85513c1c255bd6471f2 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.267 FCCCNc1ncccc1I 23a255056a8c0d1fd5278d8a1a36c5c7 [0,2,0,0,0,0|2,0,0]=4 5631 B12R1.267 FCCCOc1ccc[nH]c1=S a0bbf5f597e3415eba7ee401e912a37c [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.267 FCCCOc1ccccc1Br 499e528be31647c2767a23de412a6892 [0,2,0,0,0,0|1,0,0]=3 5633 B12R1.267 FCCCOc1ccccc1Cl df2e97234eeec5aa9e2bf4aa8d930954 [0,2,0,0,0,0|1,0,0]=3 5634 B12R1.267 FCCCOc1ccccc1F 8aac8d2dd21b9c25c2bae9285eb00f79 [0,2,0,0,0,0|1,0,0]=3 5635 B12R1.267 FCCCOc1ccccc1I 4324cc6c6ddc07e001929c58a563257a [0,2,0,0,0,0|1,0,0]=3 5636 B12R1.267 FCCCOc1ccccc1S 33bc119b6d4654961a63ead32803fa79 [0,2,0,0,0,0|1,0,0]=3 5637 B12R1.267 FCCCOc1cccnc1Br a08d8822f5157246ca65dc52d87c089a [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.267 FCCCOc1cccnc1Cl 3c12c340657f9ba4d21f96c5a973a6bf [0,2,0,0,0,0|2,0,0]=4 5639 B12R1.267 FCCCOc1cccnc1F 841cba1340a9b3655b917e3cac16f546 [0,2,0,0,0,0|2,0,0]=4 5640 B12R1.267 FCCCOc1cccnc1I af39e80ec97c7ccaa2b23367cedd1800 [0,2,0,0,0,0|2,0,0]=4 5641 B12R1.267 FCCCOc1ccncc1Br 3f4b34df1d236d7c864a759d27e45e1c [0,2,0,0,0,0|2,0,0]=4 5642 B12R1.267 FCCCOc1ccncc1Cl ca14b8566bff93528c1c55d76d202a20 [0,2,0,0,0,0|2,0,0]=4 5643 B12R1.267 FCCCOc1ccncc1F 2c18c06d8bab965d54d6ba890c8380c7 [0,2,0,0,0,0|2,0,0]=4 5644 B12R1.267 FCCCOc1cnccc1Br 573b83e2a792c76633d2198553907cdd [0,2,0,0,0,0|2,0,0]=4 5645 B12R1.267 FCCCOc1cnccc1Cl 9f88760657eadf09d950ba01fff811c5 [0,2,0,0,0,0|2,0,0]=4 5646 B12R1.267 FCCCOc1cnccc1F 9cbec9b67ca2fde62ea94e280e8ea978 [0,2,0,0,0,0|2,0,0]=4 5647 B12R1.267 FCCCOc1cnccc1I 8ce593862a0903afc4b33f8592cc656b [0,2,0,0,0,0|2,0,0]=4 5648 B12R1.267 FCCCOc1ncccc1Br 08f7087c8a0295eb23572fcc0af96740 [0,2,0,0,0,0|2,0,0]=4 5649 B12R1.267 FCCCOc1ncccc1Cl afb1aba101f332eaac84729cc869c53b [0,2,0,0,0,0|2,0,0]=4 5650 B12R1.267 FCCCOc1ncccc1F 2fca701423a901b718c3e88656f205fe [0,2,0,0,0,0|2,0,0]=4 5651 B12R1.267 FCCCOn1ccccc1=S 651f8cc10b178de6fa00fe86169ab29c [0,2,0,0,0,0|2,0,0]=4 5652 B12R1.267 FCCNCc1ccccc1Br b46fdf31e33910710dd483a85d89d96f [0,2,0,0,0,0|1,0,0]=3 5653 B12R1.267 FCCNCc1ccccc1Cl a14087dde8b7b46255adcf5a803afdbc [0,2,0,0,0,0|1,0,0]=3 5654 B12R1.267 FCCNCc1ccccc1F f832ea6ba744d5ab65af659cd2552ce3 [0,2,0,0,0,0|1,0,0]=3 5655 B12R1.267 FCCNCc1ccccc1I eed8b10184147070559f785fa901c222 [0,2,0,0,0,0|1,0,0]=3 5656 B12R1.267 FCCNCc1cccnc1Br 6fd7eb64484a3dfae15e0ba985855244 [0,2,0,0,0,0|2,0,0]=4 5657 B12R1.267 FCCNCc1cccnc1Cl 242e3b2b493f42b8543701a9b44fb78e [0,2,0,0,0,0|2,0,0]=4 5658 B12R1.267 FCCNCc1cccnc1F f3a872a3501e254cc322d8d33d22df3e [0,2,0,0,0,0|2,0,0]=4 5659 B12R1.267 FCCNCc1ccncc1Br 526bd850456cca33c21192a80924a4cd [0,2,0,0,0,0|2,0,0]=4 5660 B12R1.267 FCCNCc1ccncc1Cl 7008fa2179f8d39601cbcb420d36e374 [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.267 FCCNCc1ccncc1F defef905a096d5631ccd54b7373f8f1e [0,2,0,0,0,0|2,0,0]=4 5662 B12R1.267 FCCNCc1ncccc1Br aee4b617813d242428fb0d37da5c1580 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.267 FCCNCc1ncccc1Cl 0e0f185c31f1835b559d8dc45f71f8a2 [0,2,0,0,0,0|2,0,0]=4 5664 B12R1.267 FCCNCc1ncccc1F e46ff01e14e6bd5968ba1a73a4e8b552 [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.267 FCCOCc1ccccc1Br 5a0928a171083f8638f03aacb9dc36dd [0,2,0,0,0,0|1,0,0]=3 5666 B12R1.267 FCCOCc1ccccc1Cl 078ea64bbef33ece9aff7dddc04601a6 [0,2,0,0,0,0|1,0,0]=3 5667 B12R1.267 FCCOCc1ccccc1F 87862c8ddec2c3ff0ce1d65429b7e84b [0,2,0,0,0,0|1,0,0]=3 5668 B12R1.267 FCCOCc1ccccc1I 289e82c65c96603401598d70743f8a2e [0,2,0,0,0,0|1,0,0]=3 5669 B12R1.267 FCCOCc1cccnc1Br 3270ab52c17e93ec317dc449070828e3 [0,2,0,0,0,0|2,0,0]=4 5670 B12R1.267 FCCOCc1cccnc1Cl b32d76fda6ab06d06231016fc6f6f62c [0,2,0,0,0,0|2,0,0]=4 5671 B12R1.267 FCCOCc1cccnc1F 1bfa8f95bd5e4a263ba7a2dc52163563 [0,2,0,0,0,0|2,0,0]=4 5672 B12R1.267 FCCOCc1ccncc1Br 4194f21c59495054931aea5b37825463 [0,2,0,0,0,0|2,0,0]=4 5673 B12R1.267 FCCOCc1ccncc1Cl 651baa041d930dc2c3c8ebf082b82ce9 [0,2,0,0,0,0|2,0,0]=4 5674 B12R1.267 FCCOCc1ccncc1F 95a359f6d73e5a68b640cb625a2a07ea [0,2,0,0,0,0|2,0,0]=4 5675 B12R1.267 FCCOCc1ccncc1I df626537940c32928d6e71fb1ca9db12 [0,2,0,0,0,0|2,0,0]=4 5676 B12R1.267 FCCOCc1cnccc1Br 971118b423f83f767cb9d93020fd04fe [0,2,0,0,0,0|2,0,0]=4 5677 B12R1.267 FCCOCc1cnccc1Cl a8f5015719553e97c7f495f33b03ce12 [0,2,0,0,0,0|2,0,0]=4 5678 B12R1.267 FCCOCc1cnccc1F 1c62362e1059f1db1cc0136b4343a2bc [0,2,0,0,0,0|2,0,0]=4 5679 B12R1.267 FCCOCc1ncccc1Br abaee447884cc8640177e3face4e4d98 [0,2,0,0,0,0|2,0,0]=4 5680 B12R1.267 FCCOCc1ncccc1Cl 7e1dc05646a8686c91c16a4a31b5d3fb [0,2,0,0,0,0|2,0,0]=4 5681 B12R1.267 FCCOCc1ncccc1F ea3e61613f13d7436889a4020f03984e [0,2,0,0,0,0|2,0,0]=4 5682 B12R1.267 FCNCCc1ccccc1Cl 2b7cd31ed4a3052fcd0d18714236530d [0,2,0,0,0,0|1,0,0]=3 5683 B12R1.267 FCNCCc1ccccc1F 6a44669825c83fc6e919b2f10fd8c7d2 [0,2,0,0,0,0|1,0,0]=3 5684 B12R1.267 FCNCCc1ncccc1Br b8dab67bc218450916f84b88f0223845 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.267 FCOCCc1ccccc1Br 574267660b831959d0794f82b5ef5850 [0,2,0,0,0,0|1,0,0]=3 5686 B12R1.267 FCOCCc1ccccc1Cl 7ea8671364534b09f9e85fd52379f60c [0,2,0,0,0,0|1,0,0]=3 5687 B12R1.267 FCOCCc1ccccc1F 05e5363269f95ae13cad094391096216 [0,2,0,0,0,0|1,0,0]=3 5688 B12R1.267 FCOCCc1ccccc1I 39aabe4ca087b7967fe2111450ba8931 [0,2,0,0,0,0|1,0,0]=3 5689 B12R1.267 FCOCCc1ccncc1Cl 83e16896c2573842419dec17268aff26 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.267 FCOCCc1ccncc1F abc09118c7967196818b70b73e2cd126 [0,2,0,0,0,0|2,0,0]=4 5691 B12R1.267 FCOCCc1ncccc1F 70e197110844d94f450c9830d53c2c8b [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.267 Fc1ccccc1CNCCBr b7656da594f64afd8a0d67c46781013a [0,2,0,0,0,0|1,0,0]=3 5693 B12R1.267 Fc1ccccc1CNCCI 460bdcbe7f8be048b77e48771c7dd795 [0,2,0,0,0,0|1,0,0]=3 5694 B12R1.267 Fc1ccccc1CNCCS 9654adc193d5f5d14b8b59c65d5b6a3e [0,2,0,0,0,0|0,1,0]=3 5695 B12R1.267 Fc1ccccc1COCCS 22e124a097dce78e916c7bb33db1d360 [0,2,0,0,0,0|0,1,0]=3 5696 B12R1.267 Fc1ccccc1NCCCCl f878bc210a65cbd4c20ec398956dcb58 [0,2,0,0,0,0|1,0,0]=3 5697 B12R1.267 Fc1ccccc1NCCCS 53267566d7f94c139dfab3268962ea80 [0,2,0,0,0,0|0,1,0]=3 5698 B12R1.267 Fc1ccccc1OCCCS 2546371899f430f36ee407a65eb19906 [0,2,0,0,0,0|0,1,0]=3 5699 B12R1.267 Fc1cccnc1CNCCBr a574c30353d46c5154bcc9fde2b7c871 [0,2,0,0,0,0|2,0,0]=4 5700 B12R1.267 Fc1cccnc1CNCCI 29af43562fd4963df5ee81e7ef10a1ea [0,2,0,0,0,0|2,0,0]=4 5701 B12R1.267 Fc1cccnc1CNCCS ed772c7fecd1899bd56d28c76a1ea288 [0,2,0,0,0,0|1,1,0]=4 5702 B12R1.267 Fc1cccnc1COCCS 4f771f7ff64daf1e05a7d0e12fa376b1 [0,2,0,0,0,0|1,1,0]=4 5703 B12R1.267 Fc1cccnc1NCCCS d7a124f3c44cf0084fd88157afd497dd [0,2,0,0,0,0|1,1,0]=4 5704 B12R1.267 Fc1cccnc1OCCCS 967b0cbab34640876a1cfe86707feebb [0,2,0,0,0,0|1,1,0]=4 5705 B12R1.267 Fc1ccncc1COCCS 940f93eee6902b35edd5afb96616edb1 [0,2,0,0,0,0|1,1,0]=4 5706 B12R1.267 Fc1ccncc1NCCCCl e45cb372402e6634a8e116006903706e [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.267 Fc1ccncc1NCCCS 4def2dde31cf529aa4194f587e41d375 [0,2,0,0,0,0|1,1,0]=4 5708 B12R1.267 Fc1ccncc1OCCCS abeb0bb892767369055e2152041a4937 [0,2,0,0,0,0|1,1,0]=4 5709 B12R1.267 Fc1cnccc1CNCCS f5aff8c6005890801408abe8afecacc3 [0,2,0,0,0,0|1,1,0]=4 5710 B12R1.267 Fc1cnccc1COCCS 002d64adbd24464cfb8522c5dec8f67e [0,2,0,0,0,0|1,1,0]=4 5711 B12R1.267 Fc1cnccc1NCCCCl 525b8bdfbb1a4f6298f7d5504f521649 [0,2,0,0,0,0|2,0,0]=4 5712 B12R1.267 Fc1cnccc1NCCCS d208baebc56e4f29eff4e3097a8c31ab [0,2,0,0,0,0|1,1,0]=4 5713 B12R1.267 Fc1cnccc1OCCCS e0da6d1c07b88995896233cdbde5e724 [0,2,0,0,0,0|1,1,0]=4 5714 B12R1.267 Fc1ncccc1CNCCBr ca64964705b9a350f1209e043a9a05c1 [0,2,0,0,0,0|2,0,0]=4 5715 B12R1.267 Fc1ncccc1CNCCI 2f97e77f72c9855e29bd629468f9a010 [0,2,0,0,0,0|2,0,0]=4 5716 B12R1.267 Fc1ncccc1CNCCS 836459a96a91abd21bcce0b72a1692ec [0,2,0,0,0,0|1,1,0]=4 5717 B12R1.267 Fc1ncccc1COCCS 810068037d3af39cd6002e6edfd49e7f [0,2,0,0,0,0|1,1,0]=4 5718 B12R1.267 Fc1ncccc1NCCCS bacf6e8232047fbbf0927d00c960665c [0,2,0,0,0,0|1,1,0]=4 5719 B12R1.267 Fc1ncccc1OCCCS 9dd700c2a003ae07b7661a1c7b070ff5 [0,2,0,0,0,0|1,1,0]=4 5720 B12R1.267 ICCNCc1ccccc1I 6524a5da724df7a531f281468be2fcd1 [0,2,0,0,0,0|1,0,0]=3 5721 B12R1.267 N#CCCNc1ccccc1Cl 931dbc16c9966ee8bb408da25fdc6449 [0,2,0,0,0,0|1,0,1]=4 5722 B12R1.267 N#CCCNc1ccccc1F a9c1b7e4341cdce470a60c66f8f117a5 [0,2,0,0,0,0|1,0,1]=4 5723 B12R1.267 N#CCCNc1ccccc1I 32ebfdca1d1a0618a87896db12f31f43 [0,2,0,0,0,0|1,0,1]=4 5724 B12R1.267 N#CCCNc1ccccc1S 048ed660b0476db77df8e6a45eff4917 [0,2,0,0,0,0|1,0,1]=4 5725 B12R1.267 N#CCCOc1ccccc1Cl 2c149c5a48e8631cede9cc534620f325 [0,2,0,0,0,0|1,0,1]=4 5726 B12R1.267 N#CCCOc1ccccc1F d2b09b8fe8fc3e119d0db9c72e3de50e [0,2,0,0,0,0|1,0,1]=4 5727 B12R1.267 N#CCCOc1ccccc1I 9cb8bccbe9afb1d6e3166d68c636ee8b [0,2,0,0,0,0|1,0,1]=4 5728 B12R1.267 N#CCNCc1ccccc1Br ecf46d486da975c4b090280e96129605 [0,2,0,0,0,0|1,0,1]=4 5729 B12R1.267 N#CCNCc1ccccc1Cl bda9e18ae255853691a9f2f34b4c10cc [0,2,0,0,0,0|1,0,1]=4 5730 B12R1.267 N#CCNCc1ccccc1F 76a02b3894bbf11552c14d331211de1d [0,2,0,0,0,0|1,0,1]=4 5731 B12R1.267 N#CCNCc1ccccc1I d6240d12693c9000211d82778589ba3d [0,2,0,0,0,0|1,0,1]=4 5732 B12R1.267 N#CCOCc1ccccc1Br fdcc9d7c2f742c88f5250a9a3d26c36f [0,2,0,0,0,0|1,0,1]=4 5733 B12R1.267 N#CCOCc1ccccc1Cl 189119f6540e8589a6558f3afd501555 [0,2,0,0,0,0|1,0,1]=4 5734 B12R1.267 N#CCOCc1ccccc1F ddc9f6ab3dd876c0bf1bbb3dfc3fef2d [0,2,0,0,0,0|1,0,1]=4 5735 B12R1.267 N#CCOCc1ccccc1I 9f77ecfea1cfde9b58f3dfc3c9bc65c2 [0,2,0,0,0,0|1,0,1]=4 5736 B12R1.267 N#CCOCc1ccccc1S cdc0ea9c7d1fe4de3898fbd3bf279243 [0,2,0,0,0,0|1,0,1]=4 5737 B12R1.267 N#CNCCc1ccccc1F 677802d7d8b0ae68c15012055008ff19 [0,2,0,0,0,0|1,0,1]=4 5738 B12R1.267 N#CNCCc1ccccc1I 0c2cdf10c87f3a9e472381bec9d907f4 [0,2,0,0,0,0|1,0,1]=4 5739 B12R1.267 N=c1ccccn1OCCCF ebd20f6d18106611a8bd5c3fc3ab2d8b [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.267 N=c1ccccn1OCCCS 034559dad3d80c6c3132e308af76cfc8 [0,2,0,0,0,0|1,1,0]=4 5741 B12R1.267 NOCCNc1c[nH]ccc1=O 66962afb18f95e7b25d5d916488b85fc [0,2,0,0,0,0|2,0,0]=4 5742 B12R1.267 NOCCNc1c[nH]ccc1=S 0c6d6a7dec00ccbbd959e1f0a9890b64 [0,2,0,0,0,0|2,0,0]=4 5743 B12R1.267 NOCCNc1ccc[nH]c1=O 8ff5471154ee0cbf7b7b6c21435500d0 [0,2,0,0,0,0|2,0,0]=4 5744 B12R1.267 NOCCNc1cccc[n+]1[O-] 4c2881db5626a5d863bd48d6a54e5889 [0,2,0,0,0,0|2,0,0]=4 5745 B12R1.267 NOCCNc1ccccc1F dff59457b52a4f16511147a65bc60927 [0,2,0,0,0,0|1,0,0]=3 5746 B12R1.267 NOCCNc1ccccc1O f8e4a016872a9a28c73f22193ba9c8d4 [0,2,0,0,0,0|1,0,0]=3 5747 B12R1.267 NOCCNc1ccccc1S 9c3e7e35ebf17183a55aaf2cccf40cc5 [0,2,0,0,0,0|1,0,0]=3 5748 B12R1.267 NOCCNc1cccnc1F 2d154e6ed2886cb06f84510c56f31035 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.267 NOCCNc1cccnc1S f67923f29014e885edb2c9db13d21051 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.267 NOCCNc1ccncc1F 86f31641de285f3f960145b181a3d496 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.267 NOCCNc1cnccc1F a00f9d74a07b8c12248efa0d39df9740 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.267 NOCCNc1ncccc1F e249a9c0f198799b818da684a0fcbb0a [0,2,0,0,0,0|2,0,0]=4 5753 B12R1.267 NOCCNc1ncccc1O fdd52441379aeb4614a470e957c2898d [0,2,0,0,0,0|2,0,0]=4 5754 B12R1.267 O/C=C\CNc1ccccc1Br 151d48ca077c17d99da1018ba6a9ff04 [0,2,0,0,0,0|0,0,2]=4 5755 B12R1.267 O/C=C\CNc1ccccc1Cl 3c04860e1fa1e2ac351e9eae2bb8da83 [0,2,0,0,0,0|0,0,2]=4 5756 B12R1.267 O/C=C\CNc1ccccc1F 7a7a251cc027eed63884331e6e270d29 [0,2,0,0,0,0|0,0,2]=4 5757 B12R1.267 O/C=C\CNc1ccccc1I eac9f7894b75a8eb226955e2488dea22 [0,2,0,0,0,0|0,0,2]=4 5758 B12R1.267 O/C=C\CNc1ccccc1S 10563d129e1a011b72cd9ce72d6ca07d [0,2,0,0,0,0|0,0,2]=4 5759 B12R1.267 O=CCCNc1ccccc1Br 874e1a6c347f6164d6f76f81d037228c [0,2,0,0,0,0|0,0,2]=4 5760 B12R1.267 O=CCCNc1ccccc1Cl 1c6d30842b7301659f553123533df432 [0,2,0,0,0,0|0,0,2]=4 5761 B12R1.267 O=CCCNc1ccccc1F 6df88e74d7b1661a0d843b07f9749746 [0,2,0,0,0,0|0,0,2]=4 5762 B12R1.267 O=CCCNc1ccccc1I 881e42383bbf5296171764938c5aa6ef [0,2,0,0,0,0|0,0,2]=4 5763 B12R1.267 O=CCCNc1ccccc1S 7fc375392e1303ff58ccb9038c0f94c9 [0,2,0,0,0,0|0,0,2]=4 5764 B12R1.267 O=CCCOc1ccccc1Br 885a649663f4de463e05664e40147895 [0,2,0,0,0,0|0,0,2]=4 5765 B12R1.267 O=CCCOc1ccccc1Cl bb8ed6fe1184d59f54ee1862615b9f83 [0,2,0,0,0,0|0,0,2]=4 5766 B12R1.267 O=CCCOc1ccccc1F 2fa7d662e256297d21a803d16994a232 [0,2,0,0,0,0|0,0,2]=4 5767 B12R1.267 O=CCCOc1ccccc1I 3d998d97d6cbb88be33cc3da9faff73d [0,2,0,0,0,0|0,0,2]=4 5768 B12R1.267 O=CCCOc1ccccc1S a0f94b38fd9dc1ece856456c8952ffd9 [0,2,0,0,0,0|0,0,2]=4 5769 B12R1.267 O=CCNCc1ccccc1Br e399bb781fedd0cac269d8fc2996f14e [0,2,0,0,0,0|0,0,2]=4 5770 B12R1.267 O=CCNCc1ccccc1Cl 592c95842baff0ea6b30762cc5ca2efd [0,2,0,0,0,0|0,0,2]=4 5771 B12R1.267 O=CCNCc1ccccc1F 6b4e11cb72d3c5539df6f9995b843adf [0,2,0,0,0,0|0,0,2]=4 5772 B12R1.267 O=CCNCc1ccccc1I d3d12b53cfc8ec5239c1dc3093326181 [0,2,0,0,0,0|0,0,2]=4 5773 B12R1.267 O=CCOCc1ccccc1Br 7bcb3a89680cf1f1fd0f4be96e3c1e39 [0,2,0,0,0,0|0,0,2]=4 5774 B12R1.267 O=CCOCc1ccccc1Cl aca279d69eedf49907f4a61ef721defc [0,2,0,0,0,0|0,0,2]=4 5775 B12R1.267 O=CCOCc1ccccc1F fa1a7a15615c0c19e2f4dc125ea3df1c [0,2,0,0,0,0|0,0,2]=4 5776 B12R1.267 O=CCOCc1ccccc1I 734a86351731ba5ba3154f178c5dbcaf [0,2,0,0,0,0|0,0,2]=4 5777 B12R1.267 O=CCOCc1ccccc1S 041cfb0f5c0f20b1c0d4c07d5f2d5308 [0,2,0,0,0,0|0,0,2]=4 5778 B12R1.267 O=CNCCc1ccccc1Br 4abde841c9ea0597beaa10637d5d75ab [0,2,0,0,0,0|0,0,2]=4 5779 B12R1.267 O=CNCCc1ccccc1Cl a719d8c70a8e416524cfd5e059197592 [0,2,0,0,0,0|0,0,2]=4 5780 B12R1.267 O=CNCCc1ccccc1F 054714acae9e4f3dedf843585ea0bd22 [0,2,0,0,0,0|0,0,2]=4 5781 B12R1.267 O=CNCCc1ccccc1O a376d3f785eac46eb060dea335ad7a1d [0,2,0,0,0,0|0,0,2]=4 5782 B12R1.267 O=c1[nH]cccc1COCCS a512e552e64fba241fac82ecd3e08d51 [0,2,0,0,0,0|1,1,0]=4 5783 B12R1.267 O=c1[nH]cccc1NCCCCl 5a343e8dbda8bfc1f68ef3abbf2e156b [0,2,0,0,0,0|2,0,0]=4 5784 B12R1.267 O=c1[nH]cccc1NCCCO 92967ecd358fb1cb136ec5aa776b4c0e [0,2,0,0,0,0|1,0,0]=3 5785 B12R1.267 O=c1[nH]ccnc1NCCCO 8db8090b86ef955442ada68e5c310902 [0,2,0,0,0,0|2,0,0]=4 5786 B12R1.267 O=c1[nH]nccc1NCCCO 4c79b86b3c7d26531b14a54227058816 [0,2,0,0,0,0|2,0,0]=4 5787 B12R1.267 O=c1cc[nH]cc1NCCCCl 30ba012eb9e3ed250201cdfeccbe6707 [0,2,0,0,0,0|2,0,0]=4 5788 B12R1.267 O=c1cc[nH]cc1NCCCO 8e7d59f59b3ca4f8a8cb68047c7d811f [0,2,0,0,0,0|1,0,0]=3 5789 B12R1.267 O=c1ccccn1CCNCF b621c0e58b7defa6a90b9cfb1a445aab [0,2,0,0,0,0|2,0,0]=4 5790 B12R1.267 O=c1ccccn1CCNCO 3559c0f89bc9fedc2e675cb91525713d [0,2,0,0,0,0|1,0,0]=3 5791 B12R1.267 O=c1ccccn1CCOCF 4e341183821f5dff83454eca2a5cb454 [0,2,0,0,0,0|2,0,0]=4 5792 B12R1.267 O=c1ccccn1OCCCF 5142835e54db0b1c7587fe333ed0a53d [0,2,0,0,0,0|2,0,0]=4 5793 B12R1.267 O=c1ccccn1OCCCS 8dc134fdbd19db1a511773b80820d05f [0,2,0,0,0,0|1,1,0]=4 5794 B12R1.267 O=c1cccnn1CCNCO ad87f2afbbbfa9d48ac3c35425d060f7 [0,2,0,0,0,0|2,0,0]=4 5795 B12R1.267 O=c1ccocc1OCCCF 361306802026abe8683a0e48a224cfa6 [0,2,0,0,0,0|2,0,0]=4 5796 B12R1.267 O=c1ccocc1OCCCS 2295b22cf40fda251285df3303c820d4 [0,2,0,0,0,0|1,1,0]=4 5797 B12R1.267 O=c1nc[nH]cc1NCCCO 142f78fe52c3c46c0eba03aad4dfbecf [0,2,0,0,0,0|2,0,0]=4 5798 B12R1.267 O=c1occcc1NCCCCl 16b05e9498a56c977180acba960198bf [0,2,0,0,0,0|2,0,0]=4 5799 B12R1.267 O=c1occcc1NCCCO de554a0647ddcc939887f79406c9eeb4 [0,2,0,0,0,0|1,0,0]=3 5800 B12R1.267 O=c1occcc1OCCCF c32f358d3a985cb2da4fc8db72d922f6 [0,2,0,0,0,0|2,0,0]=4 5801 B12R1.267 O=c1occcc1OCCCS d9a1f3f2531baa2c229f05789a39bf70 [0,2,0,0,0,0|1,1,0]=4 5802 B12R1.267 OCCCNc1c[nH]ccc1=S dbd928d90d4a0a5412d85b2b8428bae7 [0,2,0,0,0,0|1,0,0]=3 5803 B12R1.267 OCCCNc1ccccc1Cl 784289199eb1f667fd138e273b3055b8 [0,2,0,0,0,0|0,0,0]=2 5804 B12R1.267 OCCCNc1ccccc1F dfcb9423e658f0892e1b586f7749e7a5 [0,2,0,0,0,0|0,0,0]=2 5805 B12R1.267 OCCCNc1ccccc1I 9885e0c34ab73fc7eab6f3f5b8cd97c3 [0,2,0,0,0,0|0,0,0]=2 5806 B12R1.267 OCCCNc1ccccc1S 4466a2e5214efe662657c1ef38d6a56d [0,2,0,0,0,0|0,0,0]=2 5807 B12R1.267 OCCCNc1cccnc1Br f2109ab68124a896ca21071f381dc3a3 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.267 OCCCNc1cccnc1Cl 9e17de5049d1acc6c49cf99da99fb03b [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.267 OCCCNc1cccnc1F 23bf4d77bf86c70fca30bc99454ac02a [0,2,0,0,0,0|1,0,0]=3 5810 B12R1.267 OCCCNc1cccnc1I ba5cd9f912fb156c1bc59b2112aeccb0 [0,2,0,0,0,0|1,0,0]=3 5811 B12R1.267 OCCCNc1cccnc1S d91895d3629f38ab5260aa394e01ee57 [0,2,0,0,0,0|1,0,0]=3 5812 B12R1.267 OCCCNc1ccn[nH]c1=S 35bda187a3fa7dbab6a3163a9e3d6165 [0,2,0,0,0,0|2,0,0]=4 5813 B12R1.267 OCCCNc1ccncc1Br 0c43b6f49ddddecfe10baf2f5bc66722 [0,2,0,0,0,0|1,0,0]=3 5814 B12R1.267 OCCCNc1ccncc1Cl b8fb88331f4cef7639a8a0dd38b5ebfe [0,2,0,0,0,0|1,0,0]=3 5815 B12R1.267 OCCCNc1ccncc1F b65d15f1a8dd8e1b6b1d7262a721a1fe [0,2,0,0,0,0|1,0,0]=3 5816 B12R1.267 OCCCNc1ccncc1I 1195e6789d13a08f4d87a1579f72d5a3 [0,2,0,0,0,0|1,0,0]=3 5817 B12R1.267 OCCCNc1ccnnc1Br 8af01e62ebc52d124a871b923b08b56a [0,2,0,0,0,0|2,0,0]=4 5818 B12R1.267 OCCCNc1ccnnc1Cl 731e7a0f7cade1f7535056e6e9d531ee [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.267 OCCCNc1cnccc1Br 2786c5608bffff8d2e51d4c86543b6cd [0,2,0,0,0,0|1,0,0]=3 5820 B12R1.267 OCCCNc1cnccc1Cl a5c856a0c5659ea5220ca829d89fca66 [0,2,0,0,0,0|1,0,0]=3 5821 B12R1.267 OCCCNc1cnccc1F a503daa2ae65ff39be97a4a454e15c25 [0,2,0,0,0,0|1,0,0]=3 5822 B12R1.267 OCCCNc1cnccc1I f099455134380610c59b51d74b9a7075 [0,2,0,0,0,0|1,0,0]=3 5823 B12R1.267 OCCCNc1cncnc1Br bd2edfe83cecc01fe2012c718151ea68 [0,2,0,0,0,0|2,0,0]=4 5824 B12R1.267 OCCCNc1cncnc1Cl 706090992fa77380fed89501f351dd88 [0,2,0,0,0,0|2,0,0]=4 5825 B12R1.267 OCCCNc1cnncc1Br 112ede64323bad779ceac8f251b39e75 [0,2,0,0,0,0|2,0,0]=4 5826 B12R1.267 OCCCNc1cnncc1Cl 461240341434c61791534a8b8ea0b90d [0,2,0,0,0,0|2,0,0]=4 5827 B12R1.267 OCCCNc1ncccc1Br 097a3dee41eb69f606932e77cbc55cdf [0,2,0,0,0,0|1,0,0]=3 5828 B12R1.267 OCCCNc1ncccc1Cl d20ca6b2bfb48221ba5522aaee8f5fe6 [0,2,0,0,0,0|1,0,0]=3 5829 B12R1.267 OCCCNc1ncccc1F 01c984d483b12222577d26fa58910e26 [0,2,0,0,0,0|1,0,0]=3 5830 B12R1.267 OCCCNc1ncccc1I 4353255d4918cdcf03387d89d6534545 [0,2,0,0,0,0|1,0,0]=3 5831 B12R1.267 OCCCNc1nccnc1Br 96ca096c98b62ee6db8239c2abf09e76 [0,2,0,0,0,0|2,0,0]=4 5832 B12R1.267 OCCCNc1nccnc1Cl 5e80d9c3b8ccda20c2a3cb8c07db313f [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.267 OCCCNc1nccnc1I 56e623591e1a08ec0ab269d701dc58dd [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.267 OCCCNc1ncncc1Br 567cfb2a0af899140d576aa7512429ba [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.267 OCCCNc1ncncc1Cl 532c8c8f4c20f6f3c5892294e9bfdf84 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.267 OCCCNc1ncncc1F b60d35f919fdb3bd5226d13a4b379a3f [0,2,0,0,0,0|2,0,0]=4 5837 B12R1.267 OCCCNc1ncncc1I c5a633230976dd16c3930b6553b67946 [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.267 OCCNCc1ccccc1Br df94d6734ac0f560fb360e39dd4b947e [0,2,0,0,0,0|0,0,0]=2 5839 B12R1.267 OCCNCc1ccccc1Cl 3a5befb779e389def207bf8ccccf3eb8 [0,2,0,0,0,0|0,0,0]=2 5840 B12R1.267 OCCNCc1ccccc1F ed939a7a48266a2f41cc5e4f1e741af5 [0,2,0,0,0,0|0,0,0]=2 5841 B12R1.267 OCCNCc1ccccc1I ae82480090df47b9736b4a586b9e66c7 [0,2,0,0,0,0|0,0,0]=2 5842 B12R1.267 OCCNCc1cccnc1Br 23bfed1865ae05a535c7c11bf6b9f713 [0,2,0,0,0,0|1,0,0]=3 5843 B12R1.267 OCCNCc1cccnc1Cl 53ea00367810b4e7abee40baa346aa2f [0,2,0,0,0,0|1,0,0]=3 5844 B12R1.267 OCCNCc1cccnc1F 5b929f08fccd780b0f7ef653ca2aef54 [0,2,0,0,0,0|1,0,0]=3 5845 B12R1.267 OCCNCc1ccncc1Br 2eb2056099a9f6b4199c81ed8f1c42a5 [0,2,0,0,0,0|1,0,0]=3 5846 B12R1.267 OCCNCc1ccncc1Cl 8f23820e63c6408d235e2acef952fc45 [0,2,0,0,0,0|1,0,0]=3 5847 B12R1.267 OCCNCc1ccncc1F 3ec3c4544163a2433a03705aaed90d5e [0,2,0,0,0,0|1,0,0]=3 5848 B12R1.267 OCCNCc1ncccc1Br ae3b0296303be2e379469943dd2487bc [0,2,0,0,0,0|1,0,0]=3 5849 B12R1.267 OCCNCc1ncccc1Cl d4b0e166193d8ae34a0e8a3cf74cca46 [0,2,0,0,0,0|1,0,0]=3 5850 B12R1.267 OCCNCc1ncccc1F 663ee241eee75f5ec918f63f4754b803 [0,2,0,0,0,0|1,0,0]=3 5851 B12R1.267 OCCNCc1nccnc1Cl 407884e1019b5fa834e908bd482dd6bb [0,2,0,0,0,0|2,0,0]=4 5852 B12R1.267 OCNCCc1ccccc1Cl 1b84a7a1568849a05b57068c3918906a [0,2,0,0,0,0|0,0,0]=2 5853 B12R1.267 OCNCCc1ccccc1F eb3b5d5f729061dd7d0426963bb11f7c [0,2,0,0,0,0|0,0,0]=2 5854 B12R1.267 OCNCCc1ncccc1Br 59d846cc0f6b983c7c08f6cd4a4433e7 [0,2,0,0,0,0|1,0,0]=3 5855 B12R1.267 S=c1[nH]cccc1NCCCS 6fd0086a0f86190598b9c44507615211 [0,2,0,0,0,0|1,1,0]=4 5856 B12R1.267 S=c1[nH]cccc1OCCCS fa980d1a4c360cee16676491c4ff9541 [0,2,0,0,0,0|1,1,0]=4 5857 B12R1.267 S=c1cc[nH]cc1NCCCCl a097afd06d23931b2ea900d9a0bb118c [0,2,0,0,0,0|2,0,0]=4 5858 B12R1.267 S=c1ccccn1OCCCS 99d3e52574622a5a7c4e51b9d14d43cd [0,2,0,0,0,0|1,1,0]=4 5859 B12R1.267 SCCCNc1ccccc1Cl c4d03ceb3e538981668d71a7bfd8cbed [0,2,0,0,0,0|0,1,0]=3 5860 B12R1.267 SCCCNc1ccccc1I 88fd34af4dafde9f681eefa4032b9ba4 [0,2,0,0,0,0|0,1,0]=3 5861 B12R1.267 SCCCNc1ccccc1S 8761170f9c7958779f9ac8b8fa337365 [0,2,0,0,0,0|0,1,0]=3 5862 B12R1.267 SCCCNc1cccnc1Br e8a5d889fa6fe15db637e943724c8d1a [0,2,0,0,0,0|1,1,0]=4 5863 B12R1.267 SCCCNc1cccnc1Cl f6721564435c9a4ad9061a8c995acd99 [0,2,0,0,0,0|1,1,0]=4 5864 B12R1.267 SCCCNc1cccnc1I ef209987e147d2634aeee821b8173523 [0,2,0,0,0,0|1,1,0]=4 5865 B12R1.267 SCCCNc1ccncc1Br ea73f7c832e0dd03b3678348ce99fa44 [0,2,0,0,0,0|1,1,0]=4 5866 B12R1.267 SCCCNc1ccncc1Cl 362d8df837a8466a09774c1805fe25fc [0,2,0,0,0,0|1,1,0]=4 5867 B12R1.267 SCCCNc1ccncc1I 61f4b4b996b532f99e7f21c6c10ea963 [0,2,0,0,0,0|1,1,0]=4 5868 B12R1.267 SCCCNc1cnccc1Br 548168b622d76751fff9f69aec537602 [0,2,0,0,0,0|1,1,0]=4 5869 B12R1.267 SCCCNc1cnccc1Cl f275ef698559db7bb2780b25c5e81794 [0,2,0,0,0,0|1,1,0]=4 5870 B12R1.267 SCCCNc1cnccc1I 07feb56738ab4dd77b453525ea6c3e4d [0,2,0,0,0,0|1,1,0]=4 5871 B12R1.267 SCCCNc1cnccc1S 3a1b4af50107fdecbfd5719d4e2cc587 [0,2,0,0,0,0|1,1,0]=4 5872 B12R1.267 SCCCNc1ncccc1Br 4338c7ac93231741725f31dd53303e40 [0,2,0,0,0,0|1,1,0]=4 5873 B12R1.267 SCCCNc1ncccc1Cl 037a3d5df7c6d43d112396d6013c1416 [0,2,0,0,0,0|1,1,0]=4 5874 B12R1.267 SCCCNc1ncccc1I 6068952df131723a88558b7cdd621f9b [0,2,0,0,0,0|1,1,0]=4 5875 B12R1.267 SCCCOc1ccccc1Cl 35ae5ef6c1318a24833cc2707ca373c3 [0,2,0,0,0,0|0,1,0]=3 5876 B12R1.267 SCCCOc1cccnc1Br 1080c88bdb11fb943336bab9e18bd32c [0,2,0,0,0,0|1,1,0]=4 5877 B12R1.267 SCCCOc1cccnc1Cl d1db6cd6559930052eeec5e94e9b58a9 [0,2,0,0,0,0|1,1,0]=4 5878 B12R1.267 SCCCOc1cccnc1I 2c52780c64b784a60ad6fed1f0743258 [0,2,0,0,0,0|1,1,0]=4 5879 B12R1.267 SCCCOc1ccncc1Br edcdb201b7a10b4460284779f727e222 [0,2,0,0,0,0|1,1,0]=4 5880 B12R1.267 SCCCOc1ccncc1Cl 5e24bedc6b9ffd687807bfa8db57b9ba [0,2,0,0,0,0|1,1,0]=4 5881 B12R1.267 SCCCOc1cnccc1Br 39a5cca35cc573ec3c4c06d07cf038ce [0,2,0,0,0,0|1,1,0]=4 5882 B12R1.267 SCCCOc1cnccc1Cl cc3837b681321da5a2621cd418c0aa41 [0,2,0,0,0,0|1,1,0]=4 5883 B12R1.267 SCCCOc1cnccc1I cd39e700c784575446da81aa739d30ae [0,2,0,0,0,0|1,1,0]=4 5884 B12R1.267 SCCCOc1ncccc1Br 36ef6117b255ffe46aaa5cea561d021b [0,2,0,0,0,0|1,1,0]=4 5885 B12R1.267 SCCCOc1ncccc1Cl 4050597f8e712a705f56473c68c97c13 [0,2,0,0,0,0|1,1,0]=4 5886 B12R1.267 SCCNCc1ccccc1Br b8209633972813bf1bc7220008967dbd [0,2,0,0,0,0|0,1,0]=3 5887 B12R1.267 SCCNCc1ccccc1Cl ebf258e1c42f497575777369ac95da5f [0,2,0,0,0,0|0,1,0]=3 5888 B12R1.267 SCCNCc1ccccc1I 92d0326fdb78bab0b559a53a956bdcbc [0,2,0,0,0,0|0,1,0]=3 5889 B12R1.267 SCCNCc1cccnc1Br 595fa130d784503ad549289b91828bec [0,2,0,0,0,0|1,1,0]=4 5890 B12R1.267 SCCNCc1cccnc1Cl 710d90127ee5b3abad1b4acef1aa0cca [0,2,0,0,0,0|1,1,0]=4 5891 B12R1.267 SCCNCc1ccncc1Br 43f932d6ff26c01eb2a71bf66d209689 [0,2,0,0,0,0|1,1,0]=4 5892 B12R1.267 SCCNCc1ccncc1Cl af1aa79b1d48d3aef88fae8e7645c593 [0,2,0,0,0,0|1,1,0]=4 5893 B12R1.267 SCCNCc1ncccc1Br 8a99e089751d61ffeba7641e8730f51c [0,2,0,0,0,0|1,1,0]=4 5894 B12R1.267 SCCNCc1ncccc1Cl 2028135c3489ec37e57f010b86684ec2 [0,2,0,0,0,0|1,1,0]=4 5895 B12R1.267 SCCOCc1ccccc1Br 2974a1a34077df01a526c92dc71fe7e1 [0,2,0,0,0,0|0,1,0]=3 5896 B12R1.267 SCCOCc1ccccc1Cl af22fdda4a6aed8dc8854b260c3db265 [0,2,0,0,0,0|0,1,0]=3 5897 B12R1.267 SCCOCc1ccccc1I 7e1445eeb10ec46213921732a4f0c947 [0,2,0,0,0,0|0,1,0]=3 5898 B12R1.267 SCCOCc1ccccc1S f4cf8e5f52b3bfc3ef5c599d397d5f9b [0,2,0,0,0,0|0,1,0]=3 5899 B12R1.267 SCCOCc1cccnc1Br 6d35ef0fdb16d253e5e0e61393b6e93d [0,2,0,0,0,0|1,1,0]=4 5900 B12R1.267 SCCOCc1cccnc1Cl 9cebe2271ceb50ec10936437ee9abe88 [0,2,0,0,0,0|1,1,0]=4 5901 B12R1.267 SCCOCc1ccncc1Br 274f5feec788c14b30380634d526e0aa [0,2,0,0,0,0|1,1,0]=4 5902 B12R1.267 SCCOCc1ccncc1Cl 09a316c1fd7d5c5d286b0826843d35fa [0,2,0,0,0,0|1,1,0]=4 5903 B12R1.267 SCCOCc1ccncc1I dcbf0e63f798d070b2bafca221acbf24 [0,2,0,0,0,0|1,1,0]=4 5904 B12R1.267 SCCOCc1cnccc1Br b9854e335abac5a36d16cda07988cfb1 [0,2,0,0,0,0|1,1,0]=4 5905 B12R1.267 SCCOCc1cnccc1Cl 5f12f1f3a75120e140e05cdc19f40012 [0,2,0,0,0,0|1,1,0]=4 5906 B12R1.267 SCCOCc1ncccc1Br 5cf0bf31395d61e903b02f713e2db072 [0,2,0,0,0,0|1,1,0]=4 5907 B12R1.267 SCCOCc1ncccc1Cl 1d6ec7c1725672ef971b2fc15e14ae41 [0,2,0,0,0,0|1,1,0]=4 5908 B12R1.267 Sc1ccccc1NCCCCl daeff88095140f125d25874d90c55a3e [0,2,0,0,0,0|1,0,0]=3 5909 B12R1.267 Sc1ncccc1NCCCCl 46597bf9839f8f25749920e76c7eb20c [0,2,0,0,0,0|2,0,0]=4 5910 B12R1.267 [O-][n+]1ccccc1CNCCBr f5abefb2ffa3afda7baa5137789ba429 [0,2,0,0,0,0|2,0,0]=4 5911 B12R1.267 [O-][n+]1ccccc1CNCCF 2e47b07fb336c39bfbc24969c15e81a6 [0,2,0,0,0,0|2,0,0]=4 5912 B12R1.267 [O-][n+]1ccccc1CNCCI 2f148e2600116dad184fdfd4e3634d8b [0,2,0,0,0,0|2,0,0]=4 5913 B12R1.267 [O-][n+]1ccccc1CNCCO b170c095dd416d8557039fc7a5edd84b [0,2,0,0,0,0|1,0,0]=3 5914 B12R1.267 [O-][n+]1ccccc1CNCCS ea105e8385aa2cede886893ecc6d761d [0,2,0,0,0,0|1,1,0]=4 5915 B12R1.267 [O-][n+]1ccccc1COCCF c9b775cdd3381db319aa2fa0896d6921 [0,2,0,0,0,0|2,0,0]=4 5916 B12R1.267 [O-][n+]1ccccc1COCCS df45aa71a7e92416d694bb74ddbab193 [0,2,0,0,0,0|1,1,0]=4 5917 B12R1.267 [O-][n+]1ccccc1NCCCCl 91defc2b45ec9f47764627eedec73708 [0,2,0,0,0,0|2,0,0]=4 5918 B12R1.267 [O-][n+]1ccccc1NCCCF 8af7f6e3a79e50d1f329de7532e334d2 [0,2,0,0,0,0|2,0,0]=4 5919 B12R1.267 [O-][n+]1ccccc1NCCCO 649f905117cdd9f6073899d6464e9968 [0,2,0,0,0,0|1,0,0]=3 5920 B12R1.267 [O-][n+]1ccccc1OCCCF 170628b1fb2ad98825b9fef2f85d279f [0,2,0,0,0,0|2,0,0]=4 5921 B12R1.267 [O-][n+]1ccccc1OCCCS 17c2acb9eb47ed2b0128ba3b7a61b5a3 [0,2,0,0,0,0|1,1,0]=4 5922 B12R1.371 CC(CO)Nc1c[nH]ccc1=O 321f196e2e776ccc2900ff309758121d [0,2,0,0,0,0|2,0,0]=4 5923 B12R1.371 CC(CO)Nc1c[nH]ccc1=S 41f5c5199c2ede36ed20c07e37caf245 [0,2,0,0,0,0|2,0,0]=4 5924 B12R1.371 CC(CO)Nc1cccc[n+]1[O-] 23888e15eb2ed4a36bfb52afe9030080 [0,2,0,0,0,0|2,0,0]=4 5925 B12R1.371 CC(CO)Nc1ccccc1F ab9abc3c7ad63ce6e7fb98c9c85f3edf [0,2,0,0,0,0|1,0,0]=3 5926 B12R1.371 CC(CO)Nc1ccccc1I 8db44cdfb97be4fe1b6791bb92fd08be [0,2,0,0,0,0|1,0,0]=3 5927 B12R1.371 CC(CO)Nc1cccnc1Br 4206efbd810086848465bb19821fa646 [0,2,0,0,0,0|2,0,0]=4 5928 B12R1.371 CC(CO)Nc1cccnc1Cl a47c452cda368ccadee093edfe71eaa0 [0,2,0,0,0,0|2,0,0]=4 5929 B12R1.371 CC(CO)Nc1cccnc1F 582cc3d4867769ec24ce0209b0b0d73f [0,2,0,0,0,0|2,0,0]=4 5930 B12R1.371 CC(CO)Nc1cccnc1I 44cdbbb32665f3e0eb76bddb8b1ce46a [0,2,0,0,0,0|2,0,0]=4 5931 B12R1.371 CC(CO)Nc1ccncc1Br 72f97ef8acdbdb22383bc3c6b9ab1bfc [0,2,0,0,0,0|2,0,0]=4 5932 B12R1.371 CC(CO)Nc1ccncc1Cl f8333347331cdfbaf6f1d8ad677a6239 [0,2,0,0,0,0|2,0,0]=4 5933 B12R1.371 CC(CO)Nc1ccncc1F 620e989eb04475868ee8ea227ac90b55 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.371 CC(CO)Nc1ccncc1I 97682b16c12e692769ad3133ec772905 [0,2,0,0,0,0|2,0,0]=4 5935 B12R1.371 CC(CO)Nc1cnccc1Br b19333d3c7cf19402552fb8563c2563c [0,2,0,0,0,0|2,0,0]=4 5936 B12R1.371 CC(CO)Nc1cnccc1Cl 99d51db6abcd307736eea9856ba6d401 [0,2,0,0,0,0|2,0,0]=4 5937 B12R1.371 CC(CO)Nc1cnccc1F abfcfb71348f83f221521200795b2f19 [0,2,0,0,0,0|2,0,0]=4 5938 B12R1.371 CC(CO)Nc1cnccc1I b9bd0901c4993ed13ffc4291db07305c [0,2,0,0,0,0|2,0,0]=4 5939 B12R1.371 CC(CO)Nc1ncccc1Br 0d2154c32e4dc4c3a1d0dbf22eaa816a [0,2,0,0,0,0|2,0,0]=4 5940 B12R1.371 CC(CO)Nc1ncccc1Cl c3c0d5c8b8379cb408946d600babf9d8 [0,2,0,0,0,0|2,0,0]=4 5941 B12R1.371 CC(CO)Nc1ncccc1F c21375de0e5c4e333dd2c7b3e972651f [0,2,0,0,0,0|2,0,0]=4 5942 B12R1.371 CC(CO)Nc1ncccc1I dc78d6f52d6882ea4a9a559957391067 [0,2,0,0,0,0|2,0,0]=4 5943 B12R1.371 CCC(C)Nc1ccccc1Cl de4bf505a5bbedeb31e8a75347207b67 [0,2,0,0,0,0|2,0,0]=4 5944 B12R1.371 CCC(C)Nc1ccccc1I cd67cc2bf7f4f6d6c61e47b710e1bb55 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.371 CCC(C)Nc1ccccc1S ecd9db41f3061f567fc7308b02ebdeed [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.371 CCC(C)Oc1ccccc1C a9f8caaebcb535b77e0f35c5ea074362 [0,2,0,0,0,0|2,0,0]=4 5947 B12R1.371 CCC(C)Oc1ccccc1Cl 6f598d947434a44e209cdf34b797bf91 [0,2,0,0,0,0|2,0,0]=4 5948 B12R1.371 CCC(C)Oc1ccccc1F b533bd9cc207ae92fa5d1dd0e1595cbc [0,2,0,0,0,0|2,0,0]=4 5949 B12R1.371 CCC(C)Oc1ccccc1I 35e6ee1db321949fbb0c54358fea5b12 [0,2,0,0,0,0|2,0,0]=4 5950 B12R1.371 CCC(C)Oc1ccccc1S 430f323aec7886fe8f11d201c4780b84 [0,2,0,0,0,0|2,0,0]=4 5951 B12R1.371 CCN(C)Cc1ccccc1Cl e51c361dfc91d5636e1e5a4513a1b110 [0,2,0,0,0,0|2,0,0]=4 5952 B12R1.371 CCN(C)Cc1ccccc1F 7c051a9a85266df48aaa13dcfa2254cd [0,2,0,0,0,0|2,0,0]=4 5953 B12R1.371 CCN(C)Cc1ccccc1I 83032bc0e16de05a0971afc60500c87f [0,2,0,0,0,0|2,0,0]=4 5954 B12R1.371 CN(CF)Cc1ccccc1Cl 6ed036767b7fb14071dacefe6e13d31c [0,2,0,0,0,0|2,0,0]=4 5955 B12R1.371 CN(CF)Cc1ccccc1F a8bd67ba066085685e654ad08e1c2328 [0,2,0,0,0,0|2,0,0]=4 5956 B12R1.371 CN(CF)Cc1ccccc1I 3f50ee944367b71e9fe1367ce96f9fad [0,2,0,0,0,0|2,0,0]=4 5957 B12R1.371 CN(CO)Cc1ccccc1Br 9ac13c39fec83267043e3355bc9d3c6e [0,2,0,0,0,0|1,0,0]=3 5958 B12R1.371 CN(CO)Cc1ccccc1Cl 2fb26837977d5eacf5cb47738766ffa1 [0,2,0,0,0,0|1,0,0]=3 5959 B12R1.371 CN(CO)Cc1ccccc1F 661f3a9dbe61fe63a175ae38e8094802 [0,2,0,0,0,0|1,0,0]=3 5960 B12R1.371 CN(CO)Cc1ccccc1I fd2e6b3f5dd3915c1a3ff85b0c15f004 [0,2,0,0,0,0|1,0,0]=3 5961 B12R1.371 CN(CO)Cc1cccnc1Cl 0096f3012ba49aab17dd5fc213dda4db [0,2,0,0,0,0|2,0,0]=4 5962 B12R1.371 CN(CO)Cc1ncccc1F 28170e061fb7283dbfff316712dc8957 [0,2,0,0,0,0|2,0,0]=4 5963 B12R1.371 C[C@@H](CO)Nc1c[nH]ccc1=O 7810a1b63ffe35a9ff772efbb8e01bc9 [0,2,0,0,0,0|2,0,0]=4 5964 B12R1.371 C[C@@H](CO)Nc1c[nH]ccc1=S 8e8ca1a6258cce2612613812fae01a3b [0,2,0,0,0,0|2,0,0]=4 5965 B12R1.371 C[C@@H](CO)Nc1cccc[n+]1[O-] 788c9f9e795394d9b0b85ec475f1fff3 [0,2,0,0,0,0|2,0,0]=4 5966 B12R1.371 C[C@@H](CO)Nc1ccccc1F bc7a17b0246c7bfaa6b92e68ea47eff7 [0,2,0,0,0,0|1,0,0]=3 5967 B12R1.371 C[C@@H](CO)Nc1ccccc1I 4e52463ff6b81e76a206c779e1fbf0a0 [0,2,0,0,0,0|1,0,0]=3 5968 B12R1.371 C[C@@H](CO)Nc1cccnc1Br 24aa745af7e142700d0a9ae82fef0c92 [0,2,0,0,0,0|2,0,0]=4 5969 B12R1.371 C[C@@H](CO)Nc1cccnc1Cl 3a158f99af71bde69cf4b3700326f46d [0,2,0,0,0,0|2,0,0]=4 5970 B12R1.371 C[C@@H](CO)Nc1cccnc1F bb7c41784fb9989e3c0c52c7ab03d625 [0,2,0,0,0,0|2,0,0]=4 5971 B12R1.371 C[C@@H](CO)Nc1cccnc1I 9f52320e20d31b8cbbd09c2e9f3666a8 [0,2,0,0,0,0|2,0,0]=4 5972 B12R1.371 C[C@@H](CO)Nc1ccncc1Br b294070918a888c6c2218df94098f074 [0,2,0,0,0,0|2,0,0]=4 5973 B12R1.371 C[C@@H](CO)Nc1ccncc1Cl df29eb9ed2824b54f00c394459453a94 [0,2,0,0,0,0|2,0,0]=4 5974 B12R1.371 C[C@@H](CO)Nc1ccncc1F 5cdd9eb864d432090917bf0b27da833c [0,2,0,0,0,0|2,0,0]=4 5975 B12R1.371 C[C@@H](CO)Nc1ccncc1I 82d80fec6e8a03b45a86dd9cf9b5f19a [0,2,0,0,0,0|2,0,0]=4 5976 B12R1.371 C[C@@H](CO)Nc1cnccc1Br 68bd4b22d7b10850e2fbb2b1f923dd6a [0,2,0,0,0,0|2,0,0]=4 5977 B12R1.371 C[C@@H](CO)Nc1cnccc1Cl c018d48e5f71dfcfca16bc355b1c532b [0,2,0,0,0,0|2,0,0]=4 5978 B12R1.371 C[C@@H](CO)Nc1cnccc1F cad0e8353ad35717ae0d259787d986b7 [0,2,0,0,0,0|2,0,0]=4 5979 B12R1.371 C[C@@H](CO)Nc1cnccc1I 29832140efef6c9c316346d339b28a43 [0,2,0,0,0,0|2,0,0]=4 5980 B12R1.371 C[C@@H](CO)Nc1ncccc1Br 017cd05d431390be839fb3cc52e09b3d [0,2,0,0,0,0|2,0,0]=4 5981 B12R1.371 C[C@@H](CO)Nc1ncccc1Cl fe08519a870112c7bd81db5a28b7c9df [0,2,0,0,0,0|2,0,0]=4 5982 B12R1.371 C[C@@H](CO)Nc1ncccc1F 19206a97545c27f362d4924a75300e0a [0,2,0,0,0,0|2,0,0]=4 5983 B12R1.371 C[C@@H](CO)Nc1ncccc1I 136819d4b70145070292091b149e8fd3 [0,2,0,0,0,0|2,0,0]=4 5984 B12R1.371 C[C@H](CO)Nc1c[nH]ccc1=O 345d2d48e1b1e18627a40f9cda7b6bc9 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.371 C[C@H](CO)Nc1c[nH]ccc1=S 90f7bc531c4ebfc391a209921baf149a [0,2,0,0,0,0|2,0,0]=4 5986 B12R1.371 C[C@H](CO)Nc1cccc[n+]1[O-] fe6641bf1731d15db79c5d61e1e755f9 [0,2,0,0,0,0|2,0,0]=4 5987 B12R1.371 C[C@H](CO)Nc1ccccc1F 636c9c06865906a75d3375bd72489d82 [0,2,0,0,0,0|1,0,0]=3 5988 B12R1.371 C[C@H](CO)Nc1ccccc1I aa96d8a3924e58569f2c3ab4fed9a92f [0,2,0,0,0,0|1,0,0]=3 5989 B12R1.371 C[C@H](CO)Nc1cccnc1Br acd550c245392c716c32ad2be2a6be06 [0,2,0,0,0,0|2,0,0]=4 5990 B12R1.371 C[C@H](CO)Nc1cccnc1Cl 83aa3e6845006824faaa3d57649128e2 [0,2,0,0,0,0|2,0,0]=4 5991 B12R1.371 C[C@H](CO)Nc1cccnc1F f8f79e4454dfaaa6b0b449961b593d41 [0,2,0,0,0,0|2,0,0]=4 5992 B12R1.371 C[C@H](CO)Nc1cccnc1I c104c5f6f5c3f912195ac0e1b4b12e43 [0,2,0,0,0,0|2,0,0]=4 5993 B12R1.371 C[C@H](CO)Nc1ccncc1Br 32f372bb35a5dc21b771e079b5a5b38e [0,2,0,0,0,0|2,0,0]=4 5994 B12R1.371 C[C@H](CO)Nc1ccncc1Cl 24e6ffc42a92bae0b8a942d4950db27f [0,2,0,0,0,0|2,0,0]=4 5995 B12R1.371 C[C@H](CO)Nc1ccncc1F f0b78977cd0f4259c22fd79ec9d037a5 [0,2,0,0,0,0|2,0,0]=4 5996 B12R1.371 C[C@H](CO)Nc1ccncc1I 96add5b899242164cb58251ccc6e7740 [0,2,0,0,0,0|2,0,0]=4 5997 B12R1.371 C[C@H](CO)Nc1cnccc1Br c2165ca874ba408d1063254d8c7208a7 [0,2,0,0,0,0|2,0,0]=4 5998 B12R1.371 C[C@H](CO)Nc1cnccc1Cl a89a2924800a44bb2016498b4fb660f3 [0,2,0,0,0,0|2,0,0]=4 5999 B12R1.371 C[C@H](CO)Nc1cnccc1F 45443282ceaf000126126539fac6711d [0,2,0,0,0,0|2,0,0]=4 6000 B12R1.371 C[C@H](CO)Nc1cnccc1I 4fd2687202a5a6aba254ebbe10f70c2f [0,2,0,0,0,0|2,0,0]=4 6001 B12R1.371 C[C@H](CO)Nc1ncccc1Br 59b244a11f38fc7402356973b49f9bdd [0,2,0,0,0,0|2,0,0]=4 6002 B12R1.371 C[C@H](CO)Nc1ncccc1Cl d87b6b51986bda935d95d1dff9ee4980 [0,2,0,0,0,0|2,0,0]=4 6003 B12R1.371 C[C@H](CO)Nc1ncccc1F 1c78156be14948ed5ff0b8dacdadcf5a [0,2,0,0,0,0|2,0,0]=4 6004 B12R1.371 C[C@H](CO)Nc1ncccc1I 47f602a2e27648b592334f3c311d61d5 [0,2,0,0,0,0|2,0,0]=4 6005 B12R1.371 Cc1ccccc1CN(C)CF c4adb1d2d43ad8f4548a4d1e53228779 [0,2,0,0,0,0|2,0,0]=4 6006 B12R1.371 Cc1ccccc1CN(C)CO 63199def7303a7d9eb3beb52a0338d30 [0,2,0,0,0,0|1,0,0]=3 6007 B12R1.371 Cc1ccccc1NC(=O)CO 8d990dc3b3796a0c64c8b86b8490eb78 [0,2,0,0,0,0|1,0,1]=4 6008 B12R1.371 Cc1ccccc1NC(C)CO d135b508699b5774eadc8e5bb668b2c9 [0,2,0,0,0,0|1,0,0]=3 6009 B12R1.371 Cc1ccccc1N[C@@H](C)CO ca1b58b1899397ab399e5320d36d8569 [0,2,0,0,0,0|1,0,0]=3 6010 B12R1.371 Cc1ccccc1N[C@H](C)CO e0d94c7afbeca89e50d0334be68e4a7b [0,2,0,0,0,0|1,0,0]=3 6011 B12R1.371 Cc1cccnc1CN(C)CO 7595681a84f1518d909d7d748f5b97a3 [0,2,0,0,0,0|2,0,0]=4 6012 B12R1.371 Cc1cccnc1NC(C)CO 7f255753bb1c89a254ef796b4f882827 [0,2,0,0,0,0|2,0,0]=4 6013 B12R1.371 Cc1cccnc1N[C@@H](C)CO babcec4b79b7f1dea63ab1ae42ac667a [0,2,0,0,0,0|2,0,0]=4 6014 B12R1.371 Cc1cccnc1N[C@H](C)CO 39948e51144728145513b0ea6ba22677 [0,2,0,0,0,0|2,0,0]=4 6015 B12R1.371 Cc1ccncc1NC(C)CO a6aa25f37fabf51f6ef3ddf4ceb40fa2 [0,2,0,0,0,0|2,0,0]=4 6016 B12R1.371 Cc1ccncc1N[C@@H](C)CO 6ef02d04834754f51b94d7313bca761e [0,2,0,0,0,0|2,0,0]=4 6017 B12R1.371 Cc1ccncc1N[C@H](C)CO a48fc52e32a72d0ae6388a59332be89b [0,2,0,0,0,0|2,0,0]=4 6018 B12R1.371 Cc1cnccc1NC(C)CO 838519b0a4b438f50acb65698ad95171 [0,2,0,0,0,0|2,0,0]=4 6019 B12R1.371 Cc1cnccc1N[C@@H](C)CO 2cacf9709ba36ae4d18adb002835ef20 [0,2,0,0,0,0|2,0,0]=4 6020 B12R1.371 Cc1cnccc1N[C@H](C)CO 7c217feac6f842713593f8941f4244e2 [0,2,0,0,0,0|2,0,0]=4 6021 B12R1.371 Cc1ncccc1CN(C)CO d93575a113941397f7a6ddcf0107fddd [0,2,0,0,0,0|2,0,0]=4 6022 B12R1.371 Cc1ncccc1NC(C)CO 0a7c12e91115c1b45d7ae4e356970fc1 [0,2,0,0,0,0|2,0,0]=4 6023 B12R1.371 Cc1ncccc1N[C@@H](C)CO 7de9eebb40b8cef235e9005db18a568e [0,2,0,0,0,0|2,0,0]=4 6024 B12R1.371 Cc1ncccc1N[C@H](C)CO e3a38a589aca8ac1df731739aa516f6c [0,2,0,0,0,0|2,0,0]=4 6025 B12R1.371 O=C(CO)Nc1ccccc1F d20a35cb403e68671e72a0dd460c0485 [0,2,0,0,0,0|1,0,1]=4 6026 B12R1.371 O=C(CO)Nc1ccccc1I 209ecbfb2e84cc7bc62f1762ecc4331e [0,2,0,0,0,0|1,0,1]=4 6027 B12R1.371 O=C(CO)Nc1ccccc1O e8a188e3771eae8a4a1eca1b4e42b466 [0,2,0,0,0,0|1,0,1]=4 6028 B12R1.371 O=C(CO)Nc1ccccc1S e3384ae87fb80eb0958c847fa331a653 [0,2,0,0,0,0|1,0,1]=4 6029 B12R1.374 CCCNc1cc(ccc1Br)Cl 02b2a3d82b0d449e759aa2b3684f921b [0,2,0,0,0,0|2,0,0]=4 6030 B12R1.374 CCCNc1cc(ccc1C)C 50a50f03453cd3bc0af8f2724ba27d51 [0,2,0,0,0,0|2,0,0]=4 6031 B12R1.374 CCCNc1cc(ccc1C)Cl ea0afd2afc8bf7b9f2293953d8c5b9a9 [0,2,0,0,0,0|2,0,0]=4 6032 B12R1.374 CCCNc1cc(ccc1C)F 3f25a5e2d0341d6c886e4e0e74cba39e [0,2,0,0,0,0|2,0,0]=4 6033 B12R1.374 CCCNc1cc(ccc1C)I 0d550a0d27de70048a83d8fd9ccad2a5 [0,2,0,0,0,0|2,0,0]=4 6034 B12R1.374 CCCNc1cc(ccc1Cl)C ec707217c9f35589b06852d948057f32 [0,2,0,0,0,0|2,0,0]=4 6035 B12R1.374 CCCNc1cc(ccc1Cl)Cl 473f258f6fd2795d466821cdd7a7b892 [0,2,0,0,0,0|2,0,0]=4 6036 B12R1.374 CCCNc1cc(ccc1Cl)F f2b96bd720fefa10804c339f9cb62113 [0,2,0,0,0,0|2,0,0]=4 6037 B12R1.374 CCCNc1cc(ccc1Cl)I 58595e5d90d32804718d10a6a99a9a35 [0,2,0,0,0,0|2,0,0]=4 6038 B12R1.374 CCCNc1cc(ccc1F)Br f2de6fed384bb48eb08a1f316e2491df [0,2,0,0,0,0|2,0,0]=4 6039 B12R1.374 CCCNc1cc(ccc1F)C 4b7d4e9ca36718ad5090b0c169da5412 [0,2,0,0,0,0|2,0,0]=4 6040 B12R1.374 CCCNc1cc(ccc1F)Cl 1901b1c9decc78ea3898c3fdb75b758b [0,2,0,0,0,0|2,0,0]=4 6041 B12R1.374 CCCNc1cc(ccc1F)F 1843062e0a42db6deecf08447b9353ec [0,2,0,0,0,0|2,0,0]=4 6042 B12R1.374 CCCNc1cc(ccc1F)I 99bbabb1bc6b14e0248f3bcec543d258 [0,2,0,0,0,0|2,0,0]=4 6043 B12R1.374 CCCNc1cc(ccc1I)Br 971771b18c1263d5869aca2e728773e3 [0,2,0,0,0,0|2,0,0]=4 6044 B12R1.374 CCCNc1cc(ccc1I)C 6c7e217e952e3751cab26aaa5250c680 [0,2,0,0,0,0|2,0,0]=4 6045 B12R1.374 CCCNc1cc(ccc1I)Cl c4ed50f0c235e6d63240e4a5d975068d [0,2,0,0,0,0|2,0,0]=4 6046 B12R1.374 CCCNc1cc(ccc1I)F 860a04c6b38506f694b59212447db95b [0,2,0,0,0,0|2,0,0]=4 6047 B12R1.374 CCCNc1cc(ccc1N)N 36459471273be6793f78c727185692f6 [0,2,0,0,0,0|2,0,0]=4 6048 B12R1.374 CCCNc1cc(ccc1S)Br 7d9d856141938482be72d9a7e068c66d [0,2,0,0,0,0|2,0,0]=4 6049 B12R1.374 CCCNc1cc(ccc1S)Cl d82d7c261ba09313c396a9102d7d4922 [0,2,0,0,0,0|2,0,0]=4 6050 B12R1.374 CCCNc1cc(ccc1S)F 2a95bbd0540d87bf56a29d554b8d9425 [0,2,0,0,0,0|2,0,0]=4 6051 B12R1.374 CCCOc1cc(ccc1Br)Cl c167ed418c8e942bcc34939d30f1ca63 [0,2,0,0,0,0|2,0,0]=4 6052 B12R1.374 CCCOc1cc(ccc1Br)F 278eeb22854a3a575d20e01bda264a81 [0,2,0,0,0,0|2,0,0]=4 6053 B12R1.374 CCCOc1cc(ccc1Br)I 6898fb8deafd40105b8fdae4c004c376 [0,2,0,0,0,0|2,0,0]=4 6054 B12R1.374 CCCOc1cc(ccc1C)Br 329ad13382747bcf2ad36fe04bf44b50 [0,2,0,0,0,0|2,0,0]=4 6055 B12R1.374 CCCOc1cc(ccc1C)C dd222d3c4f2e9e8b0be7e485de4b135a [0,2,0,0,0,0|2,0,0]=4 6056 B12R1.374 CCCOc1cc(ccc1C)Cl 8c37a8c39155c8d4ae61de5f760606fa [0,2,0,0,0,0|2,0,0]=4 6057 B12R1.374 CCCOc1cc(ccc1C)F d6e4899ca0b93b9199a5119f7c066542 [0,2,0,0,0,0|2,0,0]=4 6058 B12R1.374 CCCOc1cc(ccc1C)I bdf89f8a65604ea871310e67062e80c5 [0,2,0,0,0,0|2,0,0]=4 6059 B12R1.374 CCCOc1cc(ccc1Cl)Br 6d239ee2abb95a76e297e6c0e64d7625 [0,2,0,0,0,0|2,0,0]=4 6060 B12R1.374 CCCOc1cc(ccc1Cl)C a5ab5b24bf11f836570ab2372b2fefdc [0,2,0,0,0,0|2,0,0]=4 6061 B12R1.374 CCCOc1cc(ccc1Cl)Cl 35b722ff6ae4fc205cdec28d72ade86d [0,2,0,0,0,0|2,0,0]=4 6062 B12R1.374 CCCOc1cc(ccc1Cl)F 04ebd2ff7fd196d3539ef74133114816 [0,2,0,0,0,0|2,0,0]=4 6063 B12R1.374 CCCOc1cc(ccc1Cl)I 7593e9a388c88aa80c253e553ab3be46 [0,2,0,0,0,0|2,0,0]=4 6064 B12R1.374 CCCOc1cc(ccc1F)Br 1821f7aa8466dd99b1cc05313cac5cb2 [0,2,0,0,0,0|2,0,0]=4 6065 B12R1.374 CCCOc1cc(ccc1F)C 38e6e56944e8d675d8c4918ee01309f2 [0,2,0,0,0,0|2,0,0]=4 6066 B12R1.374 CCCOc1cc(ccc1F)Cl 84bb84199b69e32d05e85ec5ee5bba01 [0,2,0,0,0,0|2,0,0]=4 6067 B12R1.374 CCCOc1cc(ccc1F)F 89f4689667f86406e9fcbcfb2d1aa510 [0,2,0,0,0,0|2,0,0]=4 6068 B12R1.374 CCCOc1cc(ccc1F)I 4e554be5a18bb93e0b6e599f756303ec [0,2,0,0,0,0|2,0,0]=4 6069 B12R1.374 CCCOc1cc(ccc1I)Br 9f35534bb6dd52234675eaf4e49eb29a [0,2,0,0,0,0|2,0,0]=4 6070 B12R1.374 CCCOc1cc(ccc1I)C c50f7bbf0998f712b32d3328ff05f058 [0,2,0,0,0,0|2,0,0]=4 6071 B12R1.374 CCCOc1cc(ccc1I)Cl 1e8b8f7d62a3998db9e0772cc91a7c69 [0,2,0,0,0,0|2,0,0]=4 6072 B12R1.374 CCCOc1cc(ccc1I)F 9cd97d6e6e2b8a733bf1f52558ecef72 [0,2,0,0,0,0|2,0,0]=4 6073 B12R1.374 CCNCc1cc(ccc1Br)Cl 0c2be0b3bf1985b5b05d219673535e98 [0,2,0,0,0,0|2,0,0]=4 6074 B12R1.374 CCNCc1cc(ccc1Br)F f128f7cbfb55e03dcd02a9a0e847e0bd [0,2,0,0,0,0|2,0,0]=4 6075 B12R1.374 CCNCc1cc(ccc1C)Cl 5c3d828b361e1f9f26336b7c94146fb9 [0,2,0,0,0,0|2,0,0]=4 6076 B12R1.374 CCNCc1cc(ccc1C)F 02242fbf50d00c61839387e2843635e4 [0,2,0,0,0,0|2,0,0]=4 6077 B12R1.374 CCNCc1cc(ccc1Cl)Br 050834f50ce26ac364993e9494b1c1ca [0,2,0,0,0,0|2,0,0]=4 6078 B12R1.374 CCNCc1cc(ccc1Cl)C c919fb8ddb460ac61332d88e0da44e30 [0,2,0,0,0,0|2,0,0]=4 6079 B12R1.374 CCNCc1cc(ccc1Cl)Cl dd04a93fb0933022526f5b5618e22d82 [0,2,0,0,0,0|2,0,0]=4 6080 B12R1.374 CCNCc1cc(ccc1Cl)F 6d42f707e0cc290ba215255ef3e9d023 [0,2,0,0,0,0|2,0,0]=4 6081 B12R1.374 CCNCc1cc(ccc1F)Br a14285a26da161d215dbe2db7b6f5147 [0,2,0,0,0,0|2,0,0]=4 6082 B12R1.374 CCNCc1cc(ccc1F)C a5ab831072cd1356849b68b69dabb15e [0,2,0,0,0,0|2,0,0]=4 6083 B12R1.374 CCNCc1cc(ccc1F)Cl 13dcc378fbfdb91a5208b55230788787 [0,2,0,0,0,0|2,0,0]=4 6084 B12R1.374 CCNCc1cc(ccc1F)F e1c8954a42473abf295230470c433b1d [0,2,0,0,0,0|2,0,0]=4 6085 B12R1.374 CCNCc1cc(ccc1I)Br 10e11bffc2eb415895f59307ff5663d8 [0,2,0,0,0,0|2,0,0]=4 6086 B12R1.374 CCOCC1=CC(=O)C=CC1=O ed73a92ade968d023c82ee9d85222322 [0,2,0,0,0,0|2,0,0]=4 6087 B12R1.374 CCOCc1cc(ccc1Br)F 2649867911bbc1bcde97cd6ff396369b [0,2,0,0,0,0|2,0,0]=4 6088 B12R1.374 CCOCc1cc(ccc1Br)I c33a1f0c3be037c82832345931c26451 [0,2,0,0,0,0|2,0,0]=4 6089 B12R1.374 CCOCc1cc(ccc1C)C d507ff95ae7e7ed07c81c4679109b168 [0,2,0,0,0,0|2,0,0]=4 6090 B12R1.374 CCOCc1cc(ccc1C)Cl c1c8283d59d3df16bd84de6a6a9650c5 [0,2,0,0,0,0|2,0,0]=4 6091 B12R1.374 CCOCc1cc(ccc1C)F 9d8cd07496e315f093c0d91899749223 [0,2,0,0,0,0|2,0,0]=4 6092 B12R1.374 CCOCc1cc(ccc1C)I 96609a5b90742ff331474ff3d351eef0 [0,2,0,0,0,0|2,0,0]=4 6093 B12R1.374 CCOCc1cc(ccc1Cl)Br 7a94299ab99aedae4813724b3ee877c5 [0,2,0,0,0,0|2,0,0]=4 6094 B12R1.374 CCOCc1cc(ccc1Cl)C 0935bc53e3e84704653080e53877693f [0,2,0,0,0,0|2,0,0]=4 6095 B12R1.374 CCOCc1cc(ccc1Cl)Cl 0d03e056fe112962304ef8f1f01a631e [0,2,0,0,0,0|2,0,0]=4 6096 B12R1.374 CCOCc1cc(ccc1Cl)F 174b4cf6ad8b18e4eafdbb289befb3a4 [0,2,0,0,0,0|2,0,0]=4 6097 B12R1.374 CCOCc1cc(ccc1Cl)I 1a4140a8c2ebde3831d6319704fea876 [0,2,0,0,0,0|2,0,0]=4 6098 B12R1.374 CCOCc1cc(ccc1F)Br 1bc5de0083e048968248d2b2f0bc8da1 [0,2,0,0,0,0|2,0,0]=4 6099 B12R1.374 CCOCc1cc(ccc1F)C 4ad0879138b363befe036ec632276981 [0,2,0,0,0,0|2,0,0]=4 6100 B12R1.374 CCOCc1cc(ccc1F)Cl 317d18036cb67e08f01a2b3f737adc04 [0,2,0,0,0,0|2,0,0]=4 6101 B12R1.374 CCOCc1cc(ccc1F)F ab315f3456af8db0ca7174294204f1f4 [0,2,0,0,0,0|2,0,0]=4 6102 B12R1.374 CCOCc1cc(ccc1F)I 9367780ec0d04bce3d0abc5a99b356ca [0,2,0,0,0,0|2,0,0]=4 6103 B12R1.374 CCOCc1cc(ccc1I)Br 208fce120ef73519b96c4871145e737b [0,2,0,0,0,0|2,0,0]=4 6104 B12R1.374 CCOCc1cc(ccc1I)C e9cfd991aca42a01a6223c55db8ab723 [0,2,0,0,0,0|2,0,0]=4 6105 B12R1.374 CCOCc1cc(ccc1I)Cl 6a4cbbee00ff6ef298570049ddfa01f2 [0,2,0,0,0,0|2,0,0]=4 6106 B12R1.374 CCOCc1cc(ccc1I)F 256ed01e834542a23ce0022331f399aa [0,2,0,0,0,0|2,0,0]=4 6107 B12R1.374 Cc1cc(c(cn1)C)NCCO 50349acf40a5fca8b4b18eb02e8b1b4c [0,2,0,0,0,0|2,0,0]=4 6108 B12R1.374 Cc1cc(c(cn1)Cl)NCCO fc222f94cae887352cb76dbd54591693 [0,2,0,0,0,0|2,0,0]=4 6109 B12R1.374 Cc1cc(c(cn1)I)NCCO 568ddc58a7eaa231b03488f572d6ac90 [0,2,0,0,0,0|2,0,0]=4 6110 B12R1.374 Cc1ccc(c(c1)CNCF)Cl b310d37a5f6c13b3130b75d89a9efa5d [0,2,0,0,0,0|2,0,0]=4 6111 B12R1.374 Cc1ccc(c(c1)CNCF)F 7561ffad33cb061ed3f1762bac7c7e36 [0,2,0,0,0,0|2,0,0]=4 6112 B12R1.374 Cc1ccc(c(c1)CNCO)C 008a7b2efdea6e4cc76eeb2aeaab7a7f [0,2,0,0,0,0|1,0,0]=3 6113 B12R1.374 Cc1ccc(c(c1)CNCO)Cl 861628e5de0479b08ec69adc2f6283fb [0,2,0,0,0,0|1,0,0]=3 6114 B12R1.374 Cc1ccc(c(c1)CNCO)F a7c332e3a3e71346652d84023ef1a553 [0,2,0,0,0,0|1,0,0]=3 6115 B12R1.374 Cc1ccc(c(c1)COCF)Br 2e4807da9d2f8786150cfa7f875fdfcd [0,2,0,0,0,0|2,0,0]=4 6116 B12R1.374 Cc1ccc(c(c1)COCF)Cl 957753238f2430617d3f75ae70e37c76 [0,2,0,0,0,0|2,0,0]=4 6117 B12R1.374 Cc1ccc(c(c1)COCF)F 2b6671fa7120027a6fd79b5a07c7c6b2 [0,2,0,0,0,0|2,0,0]=4 6118 B12R1.374 Cc1ccc(c(c1)COCF)I 2ac5c4bf853af2bf15bb129d5c6e4b0b [0,2,0,0,0,0|2,0,0]=4 6119 B12R1.374 Cc1ccc(c(c1)NCCBr)C f4017c45d4cfa6455d6f3325c2f5ca66 [0,2,0,0,0,0|2,0,0]=4 6120 B12R1.374 Cc1ccc(c(c1)NCCF)C c64900fb770f147efadb6bf8f6260ff9 [0,2,0,0,0,0|2,0,0]=4 6121 B12R1.374 Cc1ccc(c(c1)NCCF)Cl 92bed21e4cc88f44d14d38636c914573 [0,2,0,0,0,0|2,0,0]=4 6122 B12R1.374 Cc1ccc(c(c1)NCCF)F 73cdc5ac29584e558ca5b5b67fb9453a [0,2,0,0,0,0|2,0,0]=4 6123 B12R1.374 Cc1ccc(c(c1)NCCF)I f88c6a4db0967ea084c3b55ade06540f [0,2,0,0,0,0|2,0,0]=4 6124 B12R1.374 Cc1ccc(c(c1)NCCI)C 6c86337fbaf33e344c8a26ea103a3246 [0,2,0,0,0,0|2,0,0]=4 6125 B12R1.374 Cc1ccc(c(c1)NCCO)C b507d66bd925ea62e0b8735843d4ba11 [0,2,0,0,0,0|1,0,0]=3 6126 B12R1.374 Cc1ccc(c(c1)NCCO)Cl 25990f17d3e4ae79ebaf6428eb7f2b7d [0,2,0,0,0,0|1,0,0]=3 6127 B12R1.374 Cc1ccc(c(c1)NCCO)F d4b2fd6f34a7b5888aa4629124128b30 [0,2,0,0,0,0|1,0,0]=3 6128 B12R1.374 Cc1ccc(c(c1)NCCO)I 13aca1677e1f05901b2bbe0e715de7ba [0,2,0,0,0,0|1,0,0]=3 6129 B12R1.374 Cc1ccc(c(c1)NCCS)C 094cf94f5dbcca3b3f2e882bf7c631b9 [0,2,0,0,0,0|1,1,0]=4 6130 B12R1.374 Cc1ccc(c(c1)NCCS)Cl d0f36d4f32b30ef167a8a2cb1df692be [0,2,0,0,0,0|1,1,0]=4 6131 B12R1.374 Cc1ccc(c(c1)NCCS)F 3ee63fc335b8ee119639ac4f019c0cd2 [0,2,0,0,0,0|1,1,0]=4 6132 B12R1.374 Cc1ccc(c(c1)NCCS)I 5df581ed1f7249d720f0774cc7467892 [0,2,0,0,0,0|1,1,0]=4 6133 B12R1.374 Cc1ccc(c(c1)OCCF)C f30ecbd38187d4c0673b7ae42b26fdea [0,2,0,0,0,0|2,0,0]=4 6134 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 0e3a9aaa3b2198d1a4fdef4ff8b14b4c [0,2,0,0,0,0|2,0,0]=4 6135 B12R1.374 Cc1ccc(c(c1)OCCF)F 82652a934ae4185b17f656fb016c0698 [0,2,0,0,0,0|2,0,0]=4 6136 B12R1.374 Cc1ccc(c(c1)OCCS)C e42b280ef2694ed93fa63def9c91bda1 [0,2,0,0,0,0|1,1,0]=4 6137 B12R1.374 Cc1ccc(c(c1)OCCS)Cl 4e84748ff29a948933ccee0a0c751e04 [0,2,0,0,0,0|1,1,0]=4 6138 B12R1.374 Cc1ccc(c(c1)OCCS)F b6facbcdaf01e3d274a2a6640bf40480 [0,2,0,0,0,0|1,1,0]=4 6139 B12R1.374 Cc1ccc(c(c1)OCCS)I 758a1570d046c27080357ce92dededf9 [0,2,0,0,0,0|1,1,0]=4 6140 B12R1.374 Cc1ccc(c(n1)NCCO)C 72d4cba0ae7316de56bfa1a982b07a5e [0,2,0,0,0,0|2,0,0]=4 6141 B12R1.374 Cc1ccc(c(n1)NCCO)F f2d905c8d39baefa9c687fd916e04936 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.374 Cc1ccc(c(n1)NCCO)I e5fa493867831edce15f97f280178990 [0,2,0,0,0,0|2,0,0]=4 6143 B12R1.374 Cc1ccc(cc1CNCF)Cl 618ef69d04af254965e2820cde67a3ba [0,2,0,0,0,0|2,0,0]=4 6144 B12R1.374 Cc1ccc(cc1CNCF)F 3dc0101b071ce93e6a7395b7b73aeaba [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.374 Cc1ccc(cc1CNCO)Cl 14dbe55f1c928c7f99a465e1d34b482e [0,2,0,0,0,0|1,0,0]=3 6146 B12R1.374 Cc1ccc(cc1CNCO)F c2008200e2385445c0f2bc00601bb6bb [0,2,0,0,0,0|1,0,0]=3 6147 B12R1.374 Cc1ccc(cc1COCF)Cl 992d376c59f15b7e5caf6961020da24e [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.374 Cc1ccc(cc1COCF)F 6ce41791a6f1fca6773b45ebbe6e8075 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.374 Cc1ccc(cc1COCF)I 6d61c9fc6a9fa873cab958361f4994f5 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.374 Cc1ccc(cc1NCCF)Br 10bda37392e862f52c0260caf2f9d7b6 [0,2,0,0,0,0|2,0,0]=4 6151 B12R1.374 Cc1ccc(cc1NCCF)Cl e2b5b9dc6874274ab45476a279733811 [0,2,0,0,0,0|2,0,0]=4 6152 B12R1.374 Cc1ccc(cc1NCCF)F 3d22d28732fa83604820d2dec23814b2 [0,2,0,0,0,0|2,0,0]=4 6153 B12R1.374 Cc1ccc(cc1NCCF)I 23a48b08a2704782dcbc65579b5f9cfb [0,2,0,0,0,0|2,0,0]=4 6154 B12R1.374 Cc1ccc(cc1NCCO)Cl 5b9375198bbe001ee6d30984457c18c4 [0,2,0,0,0,0|1,0,0]=3 6155 B12R1.374 Cc1ccc(cc1NCCO)F a8e358dff947f1735a05a6deb3d96b65 [0,2,0,0,0,0|1,0,0]=3 6156 B12R1.374 Cc1ccc(cc1NCCO)I da8f9ee6ed19fc4f64358ac9c182efa2 [0,2,0,0,0,0|1,0,0]=3 6157 B12R1.374 Cc1ccc(cc1NCCS)Br 50af0a806e6cfdd1e8ab7e25c9bd6231 [0,2,0,0,0,0|1,1,0]=4 6158 B12R1.374 Cc1ccc(cc1NCCS)Cl 3acd496067e09d2474155069a3d18c69 [0,2,0,0,0,0|1,1,0]=4 6159 B12R1.374 Cc1ccc(cc1NCCS)F 21bea5c74dc5eec9b0d247a81f8adeee [0,2,0,0,0,0|1,1,0]=4 6160 B12R1.374 Cc1ccc(cc1NCCS)I ad37729f59f7add526e39f6a160d85cc [0,2,0,0,0,0|1,1,0]=4 6161 B12R1.374 Cc1ccc(cc1OCCF)Br 971ac05bc87725603d1e683194baa9ef [0,2,0,0,0,0|2,0,0]=4 6162 B12R1.374 Cc1ccc(cc1OCCF)Cl 732245cff9872e2102bded03a737bf9d [0,2,0,0,0,0|2,0,0]=4 6163 B12R1.374 Cc1ccc(cc1OCCF)F e118b58067659cd2d801807ca437afc8 [0,2,0,0,0,0|2,0,0]=4 6164 B12R1.374 Cc1ccc(cc1OCCF)I 56de7441dfe19d2667e80b72734da02e [0,2,0,0,0,0|2,0,0]=4 6165 B12R1.374 Cc1ccc(cc1OCCS)Br 531cd7149651288f09420d7be50bdac8 [0,2,0,0,0,0|1,1,0]=4 6166 B12R1.374 Cc1ccc(cc1OCCS)Cl e78ec92b2e3676c509a49e8a13b1040b [0,2,0,0,0,0|1,1,0]=4 6167 B12R1.374 Cc1ccc(cc1OCCS)F 6b6b716e4ca1083a562a4425416f0eb8 [0,2,0,0,0,0|1,1,0]=4 6168 B12R1.374 Cc1ccc(cc1OCCS)I 557df966ab57bfcba2bada7511262a2f [0,2,0,0,0,0|1,1,0]=4 6169 B12R1.374 Cc1ccc(nc1NCCO)Br b8ccc3e23f7ba9f482210025976bfd52 [0,2,0,0,0,0|2,0,0]=4 6170 B12R1.374 Cc1ccc(nc1NCCO)Cl d03e799614e00eeb22f02d415700ddf9 [0,2,0,0,0,0|2,0,0]=4 6171 B12R1.374 Cc1cnc(c(c1)NCCO)Br 0cf527a21734b54eb58892d49e72ce89 [0,2,0,0,0,0|2,0,0]=4 6172 B12R1.374 Cc1cnc(c(c1)NCCO)C 09db32a51f8b5e08e682d5ff84a371b4 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.374 Cc1cnc(c(c1)NCCO)Cl d7cc37ef0e24c89a03bfaf2fe9ce7344 [0,2,0,0,0,0|2,0,0]=4 6174 B12R1.374 Cc1cnc(c(c1)NCCO)F 12a82a439983e307025df40a9c1fe29c [0,2,0,0,0,0|2,0,0]=4 6175 B12R1.374 Cc1cnc(cc1NCCO)Br 315af77f350c626c09cc4715ee9c5da5 [0,2,0,0,0,0|2,0,0]=4 6176 B12R1.374 Cc1cnc(cc1NCCO)Cl e1ea12a2ca9f0acfc565ce6efd727dc4 [0,2,0,0,0,0|2,0,0]=4 6177 B12R1.374 Cc1cnc(cc1NCCO)F 43a5d0f75ca1114662c0ef58cdd11312 [0,2,0,0,0,0|2,0,0]=4 6178 B12R1.374 Cc1ncc(cc1CNCO)Br 02b2dbbc4e4c74fea74a710c53d87e67 [0,2,0,0,0,0|2,0,0]=4 6179 B12R1.374 Cc1ncc(cc1NCCO)Br 6b913f5f07587c8e0e25216b930b6304 [0,2,0,0,0,0|2,0,0]=4 6180 B12R1.374 Cc1ncc(cc1NCCO)Cl 9281cfc998501fe2ef3781ab6ef48b00 [0,2,0,0,0,0|2,0,0]=4 6181 B12R1.374 Cc1ncc(cc1NCCO)F 1d402a594fca327aa291c37306985467 [0,2,0,0,0,0|2,0,0]=4 6182 B12R1.374 FCCNc1cc(ccc1Br)Cl 6d89369ad8ed661c20a85124d1b6edcb [0,2,0,0,0,0|2,0,0]=4 6183 B12R1.374 FCCNc1cc(ccc1Br)F 37e82ae6fa740f4961d5cc47f496acb5 [0,2,0,0,0,0|2,0,0]=4 6184 B12R1.374 FCCNc1cc(ccc1Br)I 42bdb72326e2aed453d00a0271779a36 [0,2,0,0,0,0|2,0,0]=4 6185 B12R1.374 FCCNc1cc(ccc1Cl)Br a167fd4b963782c392ca0c99eeb0a2ef [0,2,0,0,0,0|2,0,0]=4 6186 B12R1.374 FCCNc1cc(ccc1Cl)Cl b36c821473e0a8fefe90c3bbe5fb1cd6 [0,2,0,0,0,0|2,0,0]=4 6187 B12R1.374 FCCNc1cc(ccc1Cl)F c2a686ffebb79a9c4bed479114137b3f [0,2,0,0,0,0|2,0,0]=4 6188 B12R1.374 FCCNc1cc(ccc1Cl)I be0c012be3713897f2549caf7faf66a2 [0,2,0,0,0,0|2,0,0]=4 6189 B12R1.374 FCCNc1cc(ccc1F)Br 80119d135736d3300aecac7e540ae0d8 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.374 FCCNc1cc(ccc1F)Cl 11c3961076ab5ece1e4bba1a0e5255b1 [0,2,0,0,0,0|2,0,0]=4 6191 B12R1.374 FCCNc1cc(ccc1F)F d7119d9a296f5b0492caac1f0aac1071 [0,2,0,0,0,0|2,0,0]=4 6192 B12R1.374 FCCNc1cc(ccc1F)I 9c85c0ea50199bce3aec347480a3783f [0,2,0,0,0,0|2,0,0]=4 6193 B12R1.374 FCCNc1cc(ccc1I)Br 96637fe58ea83359c58762dcf99e2e69 [0,2,0,0,0,0|2,0,0]=4 6194 B12R1.374 FCCNc1cc(ccc1I)Cl f5737a1feae1c1980f720bbd18a1a77a [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.374 FCCNc1cc(ccc1I)F 746eb291c6774454e4e7bbb45b291a88 [0,2,0,0,0,0|2,0,0]=4 6196 B12R1.374 FCCNc1cc(ccc1S)Cl 2893e8728fed347ddfd52862b139655a [0,2,0,0,0,0|2,0,0]=4 6197 B12R1.374 FCCNc1cc(ccc1S)F cc61a436fcec97a3f271125b0c3925b9 [0,2,0,0,0,0|2,0,0]=4 6198 B12R1.374 FCCOc1cc(ccc1Br)Cl d6e98f6c6f71dfa983a05531c29cfc21 [0,2,0,0,0,0|2,0,0]=4 6199 B12R1.374 FCCOc1cc(ccc1Br)I c09ccc68bd2e45f5bb52bbe0a3d2ab79 [0,2,0,0,0,0|2,0,0]=4 6200 B12R1.374 FCCOc1cc(ccc1Cl)Br 028c14c5043c41f758dbc80a9fc55c3d [0,2,0,0,0,0|2,0,0]=4 6201 B12R1.374 FCCOc1cc(ccc1Cl)Cl 2b41faefb8b2b48a7a173e85629520d7 [0,2,0,0,0,0|2,0,0]=4 6202 B12R1.374 FCCOc1cc(ccc1Cl)F 69a8de17cf3de31ba3f9afa954fcf9f3 [0,2,0,0,0,0|2,0,0]=4 6203 B12R1.374 FCCOc1cc(ccc1Cl)I 86c4e3438da17bbebdfaea6dcfc4e076 [0,2,0,0,0,0|2,0,0]=4 6204 B12R1.374 FCCOc1cc(ccc1F)Br f32964b80d751b4337d1ccf26eb7bb55 [0,2,0,0,0,0|2,0,0]=4 6205 B12R1.374 FCCOc1cc(ccc1F)Cl 8657e909fc1a195030a98e2f60bf785b [0,2,0,0,0,0|2,0,0]=4 6206 B12R1.374 FCCOc1cc(ccc1F)F 51d1381f62d3148439e22a8f9516dd4c [0,2,0,0,0,0|2,0,0]=4 6207 B12R1.374 FCCOc1cc(ccc1F)I 3788a9981cd7407111b302e42a4c6c94 [0,2,0,0,0,0|2,0,0]=4 6208 B12R1.374 FCCOc1cc(ccc1I)Cl f1a08aa90e15aaedd0f1938de5764888 [0,2,0,0,0,0|2,0,0]=4 6209 B12R1.374 FCCOc1cc(ccc1I)F 64ad0593d55648259d362af8ad79c270 [0,2,0,0,0,0|2,0,0]=4 6210 B12R1.374 FCNCc1cc(ccc1Br)Cl 1afcf9a09360f0f8b276c1da9eb6b7d2 [0,2,0,0,0,0|2,0,0]=4 6211 B12R1.374 FCNCc1cc(ccc1Br)F 39a77c882d8d9c5871c6e9694d08ae54 [0,2,0,0,0,0|2,0,0]=4 6212 B12R1.374 FCNCc1cc(ccc1Cl)Br faeb617f3b169c40da1252e2a3df74f6 [0,2,0,0,0,0|2,0,0]=4 6213 B12R1.374 FCNCc1cc(ccc1Cl)Cl 1e64ad33066c0e7db1b90a180fc99620 [0,2,0,0,0,0|2,0,0]=4 6214 B12R1.374 FCNCc1cc(ccc1Cl)F bdee27f741211e76fef864c81ead601a [0,2,0,0,0,0|2,0,0]=4 6215 B12R1.374 FCNCc1cc(ccc1F)Br d8346194fec8391002712b5115dff484 [0,2,0,0,0,0|2,0,0]=4 6216 B12R1.374 FCNCc1cc(ccc1F)Cl 1eec7be0ed5b60216e5afed5db27e969 [0,2,0,0,0,0|2,0,0]=4 6217 B12R1.374 FCNCc1cc(ccc1F)F 20e62fd8668536560db56c7db5764bc6 [0,2,0,0,0,0|2,0,0]=4 6218 B12R1.374 FCNCc1cc(ccc1I)Br e95434c545cb38e182abfe50e6d46128 [0,2,0,0,0,0|2,0,0]=4 6219 B12R1.374 FCOCc1cc(ccc1Br)Br 0a45c90d34eba081188f31ed0d11ec11 [0,2,0,0,0,0|2,0,0]=4 6220 B12R1.374 FCOCc1cc(ccc1Br)Cl 7aa6b7ea2dc5c8a7c4d81e04f8da5c7f [0,2,0,0,0,0|2,0,0]=4 6221 B12R1.374 FCOCc1cc(ccc1Br)F 1a670f8a131639dd6e274f5b4a360701 [0,2,0,0,0,0|2,0,0]=4 6222 B12R1.374 FCOCc1cc(ccc1Br)I 9bd956f05f11d0077dc0239317b96280 [0,2,0,0,0,0|2,0,0]=4 6223 B12R1.374 FCOCc1cc(ccc1Cl)Br 2c815c108dd7803fefad308ba94c4872 [0,2,0,0,0,0|2,0,0]=4 6224 B12R1.374 FCOCc1cc(ccc1Cl)Cl 980f5a55363a15dbd8adfa349fcfa9e3 [0,2,0,0,0,0|2,0,0]=4 6225 B12R1.374 FCOCc1cc(ccc1Cl)F e675e13b527e75535b8a0c7b70729bd8 [0,2,0,0,0,0|2,0,0]=4 6226 B12R1.374 FCOCc1cc(ccc1Cl)I 920f9eef340a58b237547977376edde7 [0,2,0,0,0,0|2,0,0]=4 6227 B12R1.374 FCOCc1cc(ccc1F)Br cef9d48d5f796be8cb9fcec8a044e4ed [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.374 FCOCc1cc(ccc1F)Cl f4be4113006239971f963ba2310a80b6 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.374 FCOCc1cc(ccc1F)F 8a4fa5041019d88691b9c0ec8b426a66 [0,2,0,0,0,0|2,0,0]=4 6230 B12R1.374 FCOCc1cc(ccc1F)I cbe5529fdc401d1980407b5f1586661f [0,2,0,0,0,0|2,0,0]=4 6231 B12R1.374 FCOCc1cc(ccc1I)Br c2595f7c4c539715dec0bddbd5920927 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.374 FCOCc1cc(ccc1I)Cl 0661a7788821856c6e1152bfdcb11ab5 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.374 FCOCc1cc(ccc1I)F 01579315c0e409161575877e159c9e92 [0,2,0,0,0,0|2,0,0]=4 6234 B12R1.374 Fc1ccc(c(c1)NCCS)Br 83fb8c8f828cb1c8622bb5ba91f09f6f [0,2,0,0,0,0|1,1,0]=4 6235 B12R1.374 Fc1ccc(c(c1)NCCS)Cl 23b822486b04ab1cf0d74e0a5c135318 [0,2,0,0,0,0|1,1,0]=4 6236 B12R1.374 Fc1ccc(c(c1)NCCS)F 318809444ec9e8f44bced72e2df4a0bf [0,2,0,0,0,0|1,1,0]=4 6237 B12R1.374 Fc1ccc(c(c1)NCCS)I b24cb007eb965ef4f01fae2c5b5b3ee2 [0,2,0,0,0,0|1,1,0]=4 6238 B12R1.374 Fc1ccc(c(c1)NCCS)S 039bb324c59604750f0bbcd8f8adf764 [0,2,0,0,0,0|1,1,0]=4 6239 B12R1.374 Fc1ccc(c(c1)OCCS)Br 566fe305c1522df0ad61b55ceb8f4b63 [0,2,0,0,0,0|1,1,0]=4 6240 B12R1.374 Fc1ccc(c(c1)OCCS)Cl 7b3856bbf7cd6663873077fab2f3c3d2 [0,2,0,0,0,0|1,1,0]=4 6241 B12R1.374 Fc1ccc(c(c1)OCCS)F 06ae7b6b16f37a678f71c7fe267cf95a [0,2,0,0,0,0|1,1,0]=4 6242 B12R1.374 Fc1ccc(c(c1)OCCS)I da63be0a9a1151d3a7301c19733ba96e [0,2,0,0,0,0|1,1,0]=4 6243 B12R1.374 Fc1ccc(cc1NCCS)Br a8b99e18ba44fc6ea2a808b7297fa7be [0,2,0,0,0,0|1,1,0]=4 6244 B12R1.374 Fc1ccc(cc1NCCS)Cl b7c129742710e1d1671eee73f0ecb85d [0,2,0,0,0,0|1,1,0]=4 6245 B12R1.374 Fc1ccc(cc1NCCS)I 0274688654991cf938fc7960b937b953 [0,2,0,0,0,0|1,1,0]=4 6246 B12R1.374 Fc1ccc(cc1OCCS)Br efc24c6278e0b21f0e59276bdd555d26 [0,2,0,0,0,0|1,1,0]=4 6247 B12R1.374 Fc1ccc(cc1OCCS)Cl faa4fbe7db9b3452fd8b48a03d8d5713 [0,2,0,0,0,0|1,1,0]=4 6248 B12R1.374 Fc1ccc(cc1OCCS)I 9dbd9f1a8a030753cff8874df8eb02ae [0,2,0,0,0,0|1,1,0]=4 6249 B12R1.374 N=c1[nH]cc(cc1CNCO)Cl 08204a7afa5dc0855ecc0b41410a5e88 [0,2,0,0,0,0|2,0,0]=4 6250 B12R1.374 Nc1ccc(c(c1)NCCBr)N 2a5004d96804c3da23a910bd02cd6357 [0,2,0,0,0,0|2,0,0]=4 6251 B12R1.374 Nc1ccc(c(c1)NCCI)N 8ce5b94db21b9011b2e6d8a281272cbf [0,2,0,0,0,0|2,0,0]=4 6252 B12R1.374 Nc1ccc(c(c1)NCCO)N d40b0261ce70b075c07a36b541a622e7 [0,2,0,0,0,0|1,0,0]=3 6253 B12R1.374 Nc1ccc(c(c1)NCCS)N 70dd70c42831f3697f9020ffdc707e5a [0,2,0,0,0,0|1,1,0]=4 6254 B12R1.374 Nc1ccc(c(n1)NCCO)N e208ca9ec297779e4759dca10f53345d [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.374 Nc1cnc(c(c1)NCCO)N a85d34a9f82c865210f4c955e2b902fa [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.374 O=C1C=CC(=O)C(=C1)COCF 8158deea36c6102ac13be7f54303db1a [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.374 OCCNc1cc(ccc1Br)Cl b3c1eb5e04122a984edae40a2afacd8a [0,2,0,0,0,0|1,0,0]=3 6258 B12R1.374 OCCNc1cc(ccc1Br)F 2da30b7652dba809ac00f94708685027 [0,2,0,0,0,0|1,0,0]=3 6259 B12R1.374 OCCNc1cc(ccc1Cl)Cl 91758da90d43f12adf1a16f0724b9c15 [0,2,0,0,0,0|1,0,0]=3 6260 B12R1.374 OCCNc1cc(ccc1Cl)F e50679b1ae76f3ece7d2e60a8bfea406 [0,2,0,0,0,0|1,0,0]=3 6261 B12R1.374 OCCNc1cc(ccc1Cl)I 607635c1840c3dc5b3608e0802247ff7 [0,2,0,0,0,0|1,0,0]=3 6262 B12R1.374 OCCNc1cc(ccc1F)Br c3dc42fa4e7e815d2175603f975eb98b [0,2,0,0,0,0|1,0,0]=3 6263 B12R1.374 OCCNc1cc(ccc1F)Cl f57463277e7330772fc04bcd465caaa0 [0,2,0,0,0,0|1,0,0]=3 6264 B12R1.374 OCCNc1cc(ccc1F)F 932a6a5cf70961b0b70a5d15c5870d16 [0,2,0,0,0,0|1,0,0]=3 6265 B12R1.374 OCCNc1cc(ccc1F)I 5dbffb654ea65134d04af6935c47166d [0,2,0,0,0,0|1,0,0]=3 6266 B12R1.374 OCCNc1cc(ccc1I)Br 4634eec66d2af53e3756cde43eb37ebd [0,2,0,0,0,0|1,0,0]=3 6267 B12R1.374 OCCNc1cc(ccc1I)Cl b4d9a94accd063767d75f3b3c43ce9c7 [0,2,0,0,0,0|1,0,0]=3 6268 B12R1.374 OCCNc1cc(ccc1I)F 69117582b84276af1e6fd654ff78c716 [0,2,0,0,0,0|1,0,0]=3 6269 B12R1.374 OCCNc1cc(ccc1S)Br 2c587c34b8d03fcd1d7ca262ad2b2a6d [0,2,0,0,0,0|1,0,0]=3 6270 B12R1.374 OCCNc1cc(ccc1S)Cl f2e587e20eadc6d0f950b4492bf11f79 [0,2,0,0,0,0|1,0,0]=3 6271 B12R1.374 OCCNc1cc(ccc1S)F c53729509e1ae3667603bc83da0641e4 [0,2,0,0,0,0|1,0,0]=3 6272 B12R1.374 OCCNc1cc(cnc1Br)Br 9909e67e504831fb92dbf9c34b2025c1 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.374 OCCNc1cc(cnc1Br)Cl 4c7dca395f1b89bda6442c9617ae2fbf [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.374 OCCNc1cc(cnc1Br)F 641198121bfa241b0963efdb7adb9b5e [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.374 OCCNc1cc(cnc1Br)I 96b7fd733a56b34a3cf57c9f5fe55fe5 [0,2,0,0,0,0|2,0,0]=4 6276 B12R1.374 OCCNc1cc(cnc1Cl)Br d0346adb0942af71c30cf76f4370a52a [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.374 OCCNc1cc(cnc1Cl)Cl e4231dff1833cb6c982196b0d8d30b1c [0,2,0,0,0,0|2,0,0]=4 6278 B12R1.374 OCCNc1cc(cnc1Cl)F 4839fa38a1942eba9299a072065a02d8 [0,2,0,0,0,0|2,0,0]=4 6279 B12R1.374 OCCNc1cc(cnc1Cl)I 3a3625e96d27876e102c242ff4324cef [0,2,0,0,0,0|2,0,0]=4 6280 B12R1.374 OCCNc1cc(cnc1F)Br 9b71abcb07ada4a7995891e35e0f08ad [0,2,0,0,0,0|2,0,0]=4 6281 B12R1.374 OCCNc1cc(cnc1F)Cl dbddb739b151ff3dae31bacea0d616a4 [0,2,0,0,0,0|2,0,0]=4 6282 B12R1.374 OCCNc1cc(cnc1I)Br dc250fed486c57e1c96ae47c4ab27709 [0,2,0,0,0,0|2,0,0]=4 6283 B12R1.374 OCCNc1cc(cnc1I)Cl 6f6016abb2a851728ea40971cc13b01c [0,2,0,0,0,0|2,0,0]=4 6284 B12R1.374 OCCNc1cc(ncc1Br)Br e858ed68a81729398af7c682dba536a6 [0,2,0,0,0,0|2,0,0]=4 6285 B12R1.374 OCCNc1cc(ncc1Br)Cl 38496ccbf82c39f42e82788df55bc766 [0,2,0,0,0,0|2,0,0]=4 6286 B12R1.374 OCCNc1cc(ncc1Br)F 20237f26149aa717671247b0f7de3b3d [0,2,0,0,0,0|2,0,0]=4 6287 B12R1.374 OCCNc1cc(ncc1Cl)Br 1ad3ce394e9284fcc667224f6a739036 [0,2,0,0,0,0|2,0,0]=4 6288 B12R1.374 OCCNc1cc(ncc1Cl)Cl 9e8b7486a2c57125c9d0079c1f3b1ef9 [0,2,0,0,0,0|2,0,0]=4 6289 B12R1.374 OCCNc1cc(ncc1Cl)F 756099aa6330f1cf76acb3dab35c4cae [0,2,0,0,0,0|2,0,0]=4 6290 B12R1.374 OCCNc1cc(ncc1F)Br 18354702df37aeda1672d8e02a10d674 [0,2,0,0,0,0|2,0,0]=4 6291 B12R1.374 OCCNc1cc(ncc1F)Cl 71a58be625dea1cfbbf6a6722698a95b [0,2,0,0,0,0|2,0,0]=4 6292 B12R1.374 OCCNc1cc(ncc1F)F f0df9f3c0ba5b4a661c0c0460f5dfba5 [0,2,0,0,0,0|2,0,0]=4 6293 B12R1.374 OCCNc1cc(ncc1I)Br 54adff77e3e894237e9310e904771001 [0,2,0,0,0,0|2,0,0]=4 6294 B12R1.374 OCCNc1cc(ncc1I)Cl 50f22d6b00cddd8323aca7f081babd0c [0,2,0,0,0,0|2,0,0]=4 6295 B12R1.374 OCCNc1cc(ncc1I)F b70e6eacdc4a7b7e18c9bf889cbbd8b3 [0,2,0,0,0,0|2,0,0]=4 6296 B12R1.374 OCCNc1nc(ccc1Br)I f8dff9dea3552f3c2e333fd2cff8238c [0,2,0,0,0,0|2,0,0]=4 6297 B12R1.374 OCCNc1nc(ccc1Cl)Br 5fd67cbd79dbbaf860cb2798324ac528 [0,2,0,0,0,0|2,0,0]=4 6298 B12R1.374 OCCNc1nc(ccc1Cl)Cl bf65bebb4a90babc6ca85a2b6959b751 [0,2,0,0,0,0|2,0,0]=4 6299 B12R1.374 OCCNc1nc(ccc1F)Cl 1651672ee29e2f7a7127ecc39007d54d [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.374 OCCNc1nc(ccc1F)F 5a967a8cec4723abd3e12c74658184d9 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.374 OCCNc1nc(ccc1I)Br 46ed8c1d0bc1ef3444ba6ee2ef53fac5 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.374 OCCNc1nc(ccc1I)Cl 348acdea86b6f6575924eaec418eaad5 [0,2,0,0,0,0|2,0,0]=4 6303 B12R1.374 OCNCc1cc(ccc1Br)Br df263a9ff1d045ecb0c15b4edff88c66 [0,2,0,0,0,0|1,0,0]=3 6304 B12R1.374 OCNCc1cc(ccc1Br)Cl 0876db151f1b5588157d76e2566e971f [0,2,0,0,0,0|1,0,0]=3 6305 B12R1.374 OCNCc1cc(ccc1Br)F 09ba522e105fb030480e5dce6c1e63d6 [0,2,0,0,0,0|1,0,0]=3 6306 B12R1.374 OCNCc1cc(ccc1Cl)Br 632042377294ccefe91de123b2384ee5 [0,2,0,0,0,0|1,0,0]=3 6307 B12R1.374 OCNCc1cc(ccc1Cl)Cl eabe80a63b4916ca4fc5bdb9929e2ed1 [0,2,0,0,0,0|1,0,0]=3 6308 B12R1.374 OCNCc1cc(ccc1Cl)F 15423cb3f88ece4e64a21c60507ef39b [0,2,0,0,0,0|1,0,0]=3 6309 B12R1.374 OCNCc1cc(ccc1F)Br 1fc7800d0e5ee9beeb170085ed84742e [0,2,0,0,0,0|1,0,0]=3 6310 B12R1.374 OCNCc1cc(ccc1F)Cl 9f7a4345df2828667897b449e0440222 [0,2,0,0,0,0|1,0,0]=3 6311 B12R1.374 OCNCc1cc(ccc1F)F 741058fd3b44fc4427fccc61f39e95c9 [0,2,0,0,0,0|1,0,0]=3 6312 B12R1.374 OCNCc1cc(ccc1I)Br 1e2b5c05357f93f6d88bec77ba266c67 [0,2,0,0,0,0|1,0,0]=3 6313 B12R1.374 OCNCc1cc(cnc1F)Br 877f2923dff2265ce208022937e0aa2e [0,2,0,0,0,0|2,0,0]=4 6314 B12R1.374 OCNCc1cc(ncc1F)Br a695ad09c631be9d697f759bd2283ace [0,2,0,0,0,0|2,0,0]=4 6315 B12R1.374 OCNCc1nc(ccc1Br)Cl 2af2d0e347535dd055ecb91011f95cbf [0,2,0,0,0,0|2,0,0]=4 6316 B12R1.374 OCNCc1nc(ccc1F)Cl 2a1aa846b298da089ee37b8b0a146e56 [0,2,0,0,0,0|2,0,0]=4 6317 B12R1.374 SCCNc1cc(ccc1Br)Cl ff331b027d9b4f5a4444668830bd0bea [0,2,0,0,0,0|1,1,0]=4 6318 B12R1.374 SCCNc1cc(ccc1Br)I 63894d602126c1afd21a0ee36e60b1d2 [0,2,0,0,0,0|1,1,0]=4 6319 B12R1.374 SCCNc1cc(ccc1Cl)Br 5f64662d3e0e63b2ea9e26e2ffd10304 [0,2,0,0,0,0|1,1,0]=4 6320 B12R1.374 SCCNc1cc(ccc1Cl)Cl cd9b52821120a6ec707ff76bdaaa1f6d [0,2,0,0,0,0|1,1,0]=4 6321 B12R1.374 SCCNc1cc(ccc1Cl)I 3825c01c872343596b5fe4687ea28e0d [0,2,0,0,0,0|1,1,0]=4 6322 B12R1.374 SCCNc1cc(ccc1I)Br 90c577fc254a5a212bdd35abaecab32a [0,2,0,0,0,0|1,1,0]=4 6323 B12R1.374 SCCNc1cc(ccc1I)Cl cf0f9ec4a4a8a7bbf856ce5099b47924 [0,2,0,0,0,0|1,1,0]=4 6324 B12R1.374 SCCNc1cc(ccc1S)Br 3766dadc6c5ea9aac8da7b65044ed170 [0,2,0,0,0,0|1,1,0]=4 6325 B12R1.374 SCCNc1cc(ccc1S)Cl ffe5478a0aaafa950c852287d1bb0070 [0,2,0,0,0,0|1,1,0]=4 6326 B12R1.374 SCCOc1cc(ccc1Br)Cl b59cbc21515a726f8ac0ca95f3b4a25f [0,2,0,0,0,0|1,1,0]=4 6327 B12R1.374 SCCOc1cc(ccc1Br)I 50add35655b526bb915275d4329f953a [0,2,0,0,0,0|1,1,0]=4 6328 B12R1.374 SCCOc1cc(ccc1Cl)Br 5ae9753795b073ae8ed7f94932102b0e [0,2,0,0,0,0|1,1,0]=4 6329 B12R1.374 SCCOc1cc(ccc1Cl)Cl d5828ebe7eb64e75f4a98c04872306aa [0,2,0,0,0,0|1,1,0]=4 6330 B12R1.374 SCCOc1cc(ccc1Cl)I 395fea5c77b76d5a405553c0a59f8355 [0,2,0,0,0,0|1,1,0]=4 6331 B12R1.374 SCCOc1cc(ccc1I)Br bfac51b4ade3a93233a888f48c2f0276 [0,2,0,0,0,0|1,1,0]=4 6332 B12R1.374 SCCOc1cc(ccc1I)Cl a0b3478a74d69a9ea3ab0fa7aad23fa8 [0,2,0,0,0,0|1,1,0]=4 6333 B12R1.1631 CCCNc1c(cccc1C)C 6fa514017b0d2a3d8d5aa663660bff82 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.1631 CCCNc1c(cccc1Cl)C 755dc7d95d239069b1b587efde5a655e [0,2,0,0,0,0|2,0,0]=4 6335 B12R1.1631 CCCNc1c(cccc1Cl)Cl dbfd83ed91b5c261a50b0e2eaa64ae85 [0,2,0,0,0,0|2,0,0]=4 6336 B12R1.1631 CCCNc1c(cccc1Cl)F 568244574b2cd070cb4004dda7849d6c [0,2,0,0,0,0|2,0,0]=4 6337 B12R1.1631 CCCNc1c(cccc1F)C 00272e8e5eaacd12d5c96f9c3634d232 [0,2,0,0,0,0|2,0,0]=4 6338 B12R1.1631 CCCNc1c(cccc1F)F 582978bc5ff7a546e6e970066e48a85f [0,2,0,0,0,0|2,0,0]=4 6339 B12R1.1631 CCCNc1c(cccc1I)C 825df22c3e8b1c9fc925f18421340f30 [0,2,0,0,0,0|2,0,0]=4 6340 B12R1.1631 CCCNc1c(cccc1I)Cl caaeff24fa1b76f67445f56ccbc21fc4 [0,2,0,0,0,0|2,0,0]=4 6341 B12R1.1631 CCCNc1c(cccc1I)F d629cfddba24f1b7a49e80b74b0b36fd [0,2,0,0,0,0|2,0,0]=4 6342 B12R1.1631 CCCNc1c(cccc1S)F fb6f0c355db5487af21dab44d45e0258 [0,2,0,0,0,0|2,0,0]=4 6343 B12R1.1631 CCCOc1c(cccc1Br)Br 847a3f83e1d564e11005e4488c1314dd [0,2,0,0,0,0|2,0,0]=4 6344 B12R1.1631 CCCOc1c(cccc1Br)C c46c535e311dfc3b1a5c3539134d807f [0,2,0,0,0,0|2,0,0]=4 6345 B12R1.1631 CCCOc1c(cccc1Br)Cl 56671e510cefde9b2aa900f162ad953c [0,2,0,0,0,0|2,0,0]=4 6346 B12R1.1631 CCCOc1c(cccc1Br)F 9e3c3c460a315366ae76bf1fa80b1083 [0,2,0,0,0,0|2,0,0]=4 6347 B12R1.1631 CCCOc1c(cccc1C)C c4a8d81c04b99cc10dfac09ad3a600ea [0,2,0,0,0,0|2,0,0]=4 6348 B12R1.1631 CCCOc1c(cccc1Cl)C 2fb3703b8ef2f19798a8697d0660cd83 [0,2,0,0,0,0|2,0,0]=4 6349 B12R1.1631 CCCOc1c(cccc1Cl)Cl 92456ddc24db8f4802c16a9c3d1798a3 [0,2,0,0,0,0|2,0,0]=4 6350 B12R1.1631 CCCOc1c(cccc1Cl)F 47c942054bd196d28bf4a1c8e24e978c [0,2,0,0,0,0|2,0,0]=4 6351 B12R1.1631 CCCOc1c(cccc1F)C 5cdd4c2a7e0207976995d577b759ec91 [0,2,0,0,0,0|2,0,0]=4 6352 B12R1.1631 CCCOc1c(cccc1F)F 150b9c9b34fbfcea1851ccac5caf25cf [0,2,0,0,0,0|2,0,0]=4 6353 B12R1.1631 CCCOc1c(cccc1I)C caad23f78031de1d292e01df6be6484e [0,2,0,0,0,0|2,0,0]=4 6354 B12R1.1631 CCCOc1c(cccc1I)Cl d4aa1937d2cc24014d844b295068a5bd [0,2,0,0,0,0|2,0,0]=4 6355 B12R1.1631 CCCOc1c(cccc1I)F 0023296da4f3f0cdfe5cb7ad2fa868d3 [0,2,0,0,0,0|2,0,0]=4 6356 B12R1.1631 CCCOc1c(cccc1I)I cb1fb3fe1bb40116d181ea41db834892 [0,2,0,0,0,0|2,0,0]=4 6357 B12R1.1631 CCNCc1c(cccc1Br)Br beaadcb065659067f7cb09b5563429f5 [0,2,0,0,0,0|2,0,0]=4 6358 B12R1.1631 CCNCc1c(cccc1Br)Cl f9a29919dc762a843ba703c72d31bbb5 [0,2,0,0,0,0|2,0,0]=4 6359 B12R1.1631 CCNCc1c(cccc1Br)F 2d2c052bbbc300be99899c541cc2a622 [0,2,0,0,0,0|2,0,0]=4 6360 B12R1.1631 CCNCc1c(cccc1C)C e9bdad412735bbf372768149f197beeb [0,2,0,0,0,0|2,0,0]=4 6361 B12R1.1631 CCNCc1c(cccc1Cl)C b7efe633f925d16e00b1145b4b57f422 [0,2,0,0,0,0|2,0,0]=4 6362 B12R1.1631 CCNCc1c(cccc1Cl)Cl ba1640cc7c2f75bc6a3d9151f14ee648 [0,2,0,0,0,0|2,0,0]=4 6363 B12R1.1631 CCNCc1c(cccc1Cl)F a755172c4e56d529f9be2d8dd08f1a5e [0,2,0,0,0,0|2,0,0]=4 6364 B12R1.1631 CCNCc1c(cccc1F)C a9948c5ad0fff8699dfd212a337ea716 [0,2,0,0,0,0|2,0,0]=4 6365 B12R1.1631 CCNCc1c(cccc1F)F 81e7c9957599c603f67c665a43768861 [0,2,0,0,0,0|2,0,0]=4 6366 B12R1.1631 CCOCc1c(cccc1Br)Br 4179e62ba6916bf4d4d59fb0f095a766 [0,2,0,0,0,0|2,0,0]=4 6367 B12R1.1631 CCOCc1c(cccc1Br)C 6d5b6d5e71dff1e815e9c914827734ca [0,2,0,0,0,0|2,0,0]=4 6368 B12R1.1631 CCOCc1c(cccc1Br)Cl b3bd3490fea946ab0458f5b694a0adec [0,2,0,0,0,0|2,0,0]=4 6369 B12R1.1631 CCOCc1c(cccc1Br)F bec5ac33edd0ec7fb607e8abaaaf515e [0,2,0,0,0,0|2,0,0]=4 6370 B12R1.1631 CCOCc1c(cccc1C)C 2f83ecb4bc0da4ce337d384197f472b9 [0,2,0,0,0,0|2,0,0]=4 6371 B12R1.1631 CCOCc1c(cccc1Cl)C e147b211cffa2eefc68092a931706b36 [0,2,0,0,0,0|2,0,0]=4 6372 B12R1.1631 CCOCc1c(cccc1Cl)Cl 5bcfc6202cce33727b542b6ca08644fa [0,2,0,0,0,0|2,0,0]=4 6373 B12R1.1631 CCOCc1c(cccc1Cl)F 731560168538483e173aea415a4650b5 [0,2,0,0,0,0|2,0,0]=4 6374 B12R1.1631 CCOCc1c(cccc1F)C 6768659c9d19a14b96b1f7c87ba1814c [0,2,0,0,0,0|2,0,0]=4 6375 B12R1.1631 CCOCc1c(cccc1F)F 6ac38fa9156def8ace530cca5a1e3828 [0,2,0,0,0,0|2,0,0]=4 6376 B12R1.1631 CCOCc1c(cccc1I)Br 3eb74e96a215c8313829d99c48541a82 [0,2,0,0,0,0|2,0,0]=4 6377 B12R1.1631 CCOCc1c(cccc1I)C 1f9fd9c6520debe1de51500ddfe4f175 [0,2,0,0,0,0|2,0,0]=4 6378 B12R1.1631 CCOCc1c(cccc1I)Cl c90870f879850730bf6145bab50364c6 [0,2,0,0,0,0|2,0,0]=4 6379 B12R1.1631 CCOCc1c(cccc1I)F 6df29e2018ccaefc66e14cd3d6020e51 [0,2,0,0,0,0|2,0,0]=4 6380 B12R1.1631 Cc1cccc(c1CNCF)C f8987b04cedd58e2fa352b0fe89d5861 [0,2,0,0,0,0|2,0,0]=4 6381 B12R1.1631 Cc1cccc(c1CNCF)Cl afdaa1e9ee46a249039020f2a883902c [0,2,0,0,0,0|2,0,0]=4 6382 B12R1.1631 Cc1cccc(c1CNCF)F 8c73daa59ec07969320ee74401321c0b [0,2,0,0,0,0|2,0,0]=4 6383 B12R1.1631 Cc1cccc(c1CNCO)C f49a70f50a6d46b683d36e3e7b4a7664 [0,2,0,0,0,0|1,0,0]=3 6384 B12R1.1631 Cc1cccc(c1CNCO)Cl fcc8efab5963a1b841c6d5034775f84a [0,2,0,0,0,0|1,0,0]=3 6385 B12R1.1631 Cc1cccc(c1CNCO)F 780907256953da4bcb3a3bca63caa7f4 [0,2,0,0,0,0|1,0,0]=3 6386 B12R1.1631 Cc1cccc(c1COCF)Br 35b0be3e6e973d3b5bb352ac8902db62 [0,2,0,0,0,0|2,0,0]=4 6387 B12R1.1631 Cc1cccc(c1COCF)C 12ec8e7fcb2bf69134ae19eef4c77862 [0,2,0,0,0,0|2,0,0]=4 6388 B12R1.1631 Cc1cccc(c1COCF)Cl 26fd2421c0599119ebebf7b031c7cf21 [0,2,0,0,0,0|2,0,0]=4 6389 B12R1.1631 Cc1cccc(c1COCF)F fc731fa3f8f3ba1d6fbe2c01d1619963 [0,2,0,0,0,0|2,0,0]=4 6390 B12R1.1631 Cc1cccc(c1COCF)I 127c3b437c9ba175595b2a375a2bbdaa [0,2,0,0,0,0|2,0,0]=4 6391 B12R1.1631 Cc1cccc(c1NCCF)Br 5a51f023da3146a848bae85406797ef7 [0,2,0,0,0,0|2,0,0]=4 6392 B12R1.1631 Cc1cccc(c1NCCF)C 720e0852207f89d10b88982a20bb8b3e [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.1631 Cc1cccc(c1NCCF)Cl 35165b24a083a0b289bb552f4ec9fda6 [0,2,0,0,0,0|2,0,0]=4 6394 B12R1.1631 Cc1cccc(c1NCCF)F f8fbb092fb5e4e271908ac5df4886264 [0,2,0,0,0,0|2,0,0]=4 6395 B12R1.1631 Cc1cccc(c1NCCF)I fa6e196a2518c5dd452a5372441ea227 [0,2,0,0,0,0|2,0,0]=4 6396 B12R1.1631 Cc1cccc(c1NCCO)Br 0a5ac8c4db11cc1e4e253c121bf2039f [0,2,0,0,0,0|1,0,0]=3 6397 B12R1.1631 Cc1cccc(c1NCCO)C 36b25917aabafb989e91f5854c06f7e2 [0,2,0,0,0,0|1,0,0]=3 6398 B12R1.1631 Cc1cccc(c1NCCO)Cl f3d2c7661068cc6f699d8e9bf2df0b50 [0,2,0,0,0,0|1,0,0]=3 6399 B12R1.1631 Cc1cccc(c1NCCO)F b92adb5f5ba262d5e2c8d53864a6424c [0,2,0,0,0,0|1,0,0]=3 6400 B12R1.1631 Cc1cccc(c1NCCO)I c1391e5c9771587e9bd77d3e422daa3e [0,2,0,0,0,0|1,0,0]=3 6401 B12R1.1631 Cc1cccc(c1NCCS)C 88c1f7873b4313a6cbe73cd7bb811b6f [0,2,0,0,0,0|1,1,0]=4 6402 B12R1.1631 Cc1cccc(c1NCCS)Cl 8b0c99483ec699955ad0eeab072c014b [0,2,0,0,0,0|1,1,0]=4 6403 B12R1.1631 Cc1cccc(c1NCCS)F ce62648d1278277d7dc5c388f556add9 [0,2,0,0,0,0|1,1,0]=4 6404 B12R1.1631 Cc1cccc(c1NCCS)I a5bd85c0d156972da70167b8245dc7c9 [0,2,0,0,0,0|1,1,0]=4 6405 B12R1.1631 Cc1cccc(c1OCCF)Br a92b007aed6bf7a4f3a346d79621a23d [0,2,0,0,0,0|2,0,0]=4 6406 B12R1.1631 Cc1cccc(c1OCCF)C 0faf9c1b20e695e5089fba9d1f648a27 [0,2,0,0,0,0|2,0,0]=4 6407 B12R1.1631 Cc1cccc(c1OCCF)Cl a92da8f51b2e077f9e307566aa685813 [0,2,0,0,0,0|2,0,0]=4 6408 B12R1.1631 Cc1cccc(c1OCCF)F 012d19fb115b3a9983942e3b906c8223 [0,2,0,0,0,0|2,0,0]=4 6409 B12R1.1631 Cc1cccc(c1OCCF)I 673cb7df0aba65c535f5e6ba0936e2a2 [0,2,0,0,0,0|2,0,0]=4 6410 B12R1.1631 Cc1cccc(c1OCCS)Br 53350fb5fe7e3387c9fa3f2d08a29d31 [0,2,0,0,0,0|1,1,0]=4 6411 B12R1.1631 Cc1cccc(c1OCCS)C 20a28acb0a8906d7e25db012ff8dc397 [0,2,0,0,0,0|1,1,0]=4 6412 B12R1.1631 Cc1cccc(c1OCCS)Cl 33eff13d46381bd55024e5731a736449 [0,2,0,0,0,0|1,1,0]=4 6413 B12R1.1631 Cc1cccc(c1OCCS)F d901d863dab9d79931afeb77a6363560 [0,2,0,0,0,0|1,1,0]=4 6414 B12R1.1631 Cc1cccc(c1OCCS)I facc8ed4c88318541cf381d23e11843b [0,2,0,0,0,0|1,1,0]=4 6415 B12R1.1631 Cc1ccnc(c1NCCO)Br 743707b7d121304e3c6cf387c3faadc3 [0,2,0,0,0,0|2,0,0]=4 6416 B12R1.1631 Cc1ccnc(c1NCCO)C ab2f915621201dc15440cc3dfa543ef5 [0,2,0,0,0,0|2,0,0]=4 6417 B12R1.1631 Cc1ccnc(c1NCCO)Cl 4c9341c3b9d872a51b4b1214119a2c71 [0,2,0,0,0,0|2,0,0]=4 6418 B12R1.1631 Cc1ccnc(c1NCCO)F 23745202c7d50827587018a1e5eb1199 [0,2,0,0,0,0|2,0,0]=4 6419 B12R1.1631 Cc1cncc(c1NCCO)Br 52ebe5e9c1aee92243e9fec18bdd41d0 [0,2,0,0,0,0|2,0,0]=4 6420 B12R1.1631 Cc1cncc(c1NCCO)C 75da3faadfbb7f1e02af181c33a2754d [0,2,0,0,0,0|2,0,0]=4 6421 B12R1.1631 Cc1cncc(c1NCCO)Cl 5ba7f35833a55b591d6321427635f5cf [0,2,0,0,0,0|2,0,0]=4 6422 B12R1.1631 Cc1cncc(c1NCCO)F b1d56c9291caa0c91c6058e5570b3c68 [0,2,0,0,0,0|2,0,0]=4 6423 B12R1.1631 Cc1cncc(c1NCCO)I 6516a372fd258a9430e161aab397bad3 [0,2,0,0,0,0|2,0,0]=4 6424 B12R1.1631 Cc1nccc(c1NCCO)Br b55d75a0e20a29d61ce52a1982fb3dd3 [0,2,0,0,0,0|2,0,0]=4 6425 B12R1.1631 Cc1nccc(c1NCCO)Cl 04b105de07297cdbb29f3893665f267f [0,2,0,0,0,0|2,0,0]=4 6426 B12R1.1631 FCCNc1c(cccc1Br)Br 978ca2028898fc674740205ec72fc479 [0,2,0,0,0,0|2,0,0]=4 6427 B12R1.1631 FCCNc1c(cccc1Cl)Cl 6ea9284b90879c2bb3ab6f9688d61202 [0,2,0,0,0,0|2,0,0]=4 6428 B12R1.1631 FCCNc1c(cccc1Cl)F 5440cf1d42ea7ea7c8f7ea062862b06b [0,2,0,0,0,0|2,0,0]=4 6429 B12R1.1631 FCCNc1c(cccc1F)F 2addcabac3de7da731a967e9b68e1850 [0,2,0,0,0,0|2,0,0]=4 6430 B12R1.1631 FCCNc1c(cccc1I)Br 801ef6c13a6f3a2a07764ea8605573aa [0,2,0,0,0,0|2,0,0]=4 6431 B12R1.1631 FCCNc1c(cccc1I)Cl 52f6a1635eb95d8d9f71837c73015057 [0,2,0,0,0,0|2,0,0]=4 6432 B12R1.1631 FCCNc1c(cccc1I)F 54b1ee36aaedbdc62ae25d7fefd3812d [0,2,0,0,0,0|2,0,0]=4 6433 B12R1.1631 FCCNc1c(cccc1S)F 62d3cab43a6d3cc3295fdc7249d2a6ee [0,2,0,0,0,0|2,0,0]=4 6434 B12R1.1631 FCCOc1c(cccc1Br)F b24513d4c14727f2593227d26d6336bf [0,2,0,0,0,0|2,0,0]=4 6435 B12R1.1631 FCCOc1c(cccc1Cl)Cl 775bc1aba37b017e938852f5e531a13a [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.1631 FCCOc1c(cccc1Cl)F cee1aed4eda374579b196a6832f9c451 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.1631 FCCOc1c(cccc1F)F 83688360240e821f37792d9b4663a20b [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.1631 FCCOc1c(cccc1I)Cl fb55c43f7380b23975674ceadc739052 [0,2,0,0,0,0|2,0,0]=4 6439 B12R1.1631 FCCOc1c(cccc1I)F 24b5526ad1d78657702e5bf67e9b6b00 [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.1631 FCCOc1c(cccc1I)I 8739ea06b0861f546fc14850cdb6f5a1 [0,2,0,0,0,0|2,0,0]=4 6441 B12R1.1631 FCNCc1c(cccc1Br)Br d6bd689039ed26ebc73cd7ca2d87bb88 [0,2,0,0,0,0|2,0,0]=4 6442 B12R1.1631 FCNCc1c(cccc1Br)Cl eb74a55271e4bfadcc6d6c3b47236c31 [0,2,0,0,0,0|2,0,0]=4 6443 B12R1.1631 FCNCc1c(cccc1Br)F 94808d1823449a39ccd1ddaaeb9d245b [0,2,0,0,0,0|2,0,0]=4 6444 B12R1.1631 FCNCc1c(cccc1Cl)Cl 79f2e188cb1e4598ef84fb34ca5f7190 [0,2,0,0,0,0|2,0,0]=4 6445 B12R1.1631 FCNCc1c(cccc1Cl)F 50981d54e42a8ee74d80cc6f9b8052b5 [0,2,0,0,0,0|2,0,0]=4 6446 B12R1.1631 FCNCc1c(cccc1F)F ec4f5fa0222a50303a609bf6d83e90dd [0,2,0,0,0,0|2,0,0]=4 6447 B12R1.1631 FCOCc1c(cccc1Br)Br 3f004af3a422a8556b396b4d5bd018a0 [0,2,0,0,0,0|2,0,0]=4 6448 B12R1.1631 FCOCc1c(cccc1Br)Cl 37c33694c91bbe37e3e65bd7263258e2 [0,2,0,0,0,0|2,0,0]=4 6449 B12R1.1631 FCOCc1c(cccc1Br)F f41ffb266b3655d255e2859ab9e436e3 [0,2,0,0,0,0|2,0,0]=4 6450 B12R1.1631 FCOCc1c(cccc1Cl)Cl 709fec9176869f92b41941fe3988e3a6 [0,2,0,0,0,0|2,0,0]=4 6451 B12R1.1631 FCOCc1c(cccc1Cl)F 5a9c7f4fdd0ea6b00f269a096375f11d [0,2,0,0,0,0|2,0,0]=4 6452 B12R1.1631 FCOCc1c(cccc1F)F 99683ca338646a0dc53790603b53a0dc [0,2,0,0,0,0|2,0,0]=4 6453 B12R1.1631 FCOCc1c(cccc1I)Br 1ec2e58ced7d8bb99b0b9848922670f0 [0,2,0,0,0,0|2,0,0]=4 6454 B12R1.1631 FCOCc1c(cccc1I)Cl 2f339b5b466f46b1a131cacc320d6425 [0,2,0,0,0,0|2,0,0]=4 6455 B12R1.1631 FCOCc1c(cccc1I)F 73d2a2cb30426fd5b0d4f7b2bf30cca1 [0,2,0,0,0,0|2,0,0]=4 6456 B12R1.1631 Fc1cccc(c1NCCS)Cl 484016406538bbc4333498a072b70d5f [0,2,0,0,0,0|1,1,0]=4 6457 B12R1.1631 Fc1cccc(c1NCCS)F 0cae62070ddf2763b9f21fa1f456b302 [0,2,0,0,0,0|1,1,0]=4 6458 B12R1.1631 Fc1cccc(c1NCCS)I 3462de25713a6fec811b55650f205531 [0,2,0,0,0,0|1,1,0]=4 6459 B12R1.1631 Fc1cccc(c1NCCS)S f7a6970567fd76bc8722adf5a34e00db [0,2,0,0,0,0|1,1,0]=4 6460 B12R1.1631 Fc1cccc(c1OCCS)Br ccbf7c1920937f3556937ed572081efc [0,2,0,0,0,0|1,1,0]=4 6461 B12R1.1631 Fc1cccc(c1OCCS)Cl 8d93587a64b135df34144fb9bcc5cc96 [0,2,0,0,0,0|1,1,0]=4 6462 B12R1.1631 Fc1cccc(c1OCCS)F 50613608985d3623b3de2054957a3953 [0,2,0,0,0,0|1,1,0]=4 6463 B12R1.1631 Fc1cccc(c1OCCS)I de34fa14720b5e5c4a519152cab638cf [0,2,0,0,0,0|1,1,0]=4 6464 B12R1.1631 Nc1ccnc(c1NCCO)N 534c7e88a29195057a0fb7bcccb504f5 [0,2,0,0,0,0|2,0,0]=4 6465 B12R1.1631 O=c1[nH]ccc(c1NCCO)F 21208c7ef1d76a836bf34f1a9a9ae384 [0,2,0,0,0,0|2,0,0]=4 6466 B12R1.1631 OCCNc1c(cccc1Cl)Cl 5ec686a99b662305be2cdd11d679a263 [0,2,0,0,0,0|1,0,0]=3 6467 B12R1.1631 OCCNc1c(cccc1Cl)F cc85da670c401e16caabf6efe5217d76 [0,2,0,0,0,0|1,0,0]=3 6468 B12R1.1631 OCCNc1c(cccc1Cl)S 56bdcff648d627d3c73201b68408987d [0,2,0,0,0,0|1,0,0]=3 6469 B12R1.1631 OCCNc1c(cccc1F)F 05076dc9fa429cd52a78f0c33d363d5f [0,2,0,0,0,0|1,0,0]=3 6470 B12R1.1631 OCCNc1c(cccc1I)Cl def827af1de79ff092f2efa56edce79d [0,2,0,0,0,0|1,0,0]=3 6471 B12R1.1631 OCCNc1c(cccc1I)F 782bbd10f09ca6b07b5d3feea22194db [0,2,0,0,0,0|1,0,0]=3 6472 B12R1.1631 OCCNc1c(cccc1S)F 4a26c69e23b4c9624f550bda9f19a020 [0,2,0,0,0,0|1,0,0]=3 6473 B12R1.1631 OCCNc1c(ccnc1Br)Br e9ebe1dfa91ac23e5350863a956e10a0 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.1631 OCCNc1c(ccnc1Br)Cl 2a4f426fc68bede8ec9b76375b69f41b [0,2,0,0,0,0|2,0,0]=4 6475 B12R1.1631 OCCNc1c(ccnc1Cl)Br 6359d725ab6abb0ab3b4c8d0bc260349 [0,2,0,0,0,0|2,0,0]=4 6476 B12R1.1631 OCCNc1c(ccnc1Cl)Cl 31ec744ad4dafee78590f434fc5c7a70 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.1631 OCCNc1c(ccnc1Cl)I f9544464a239f13673010f5965bba519 [0,2,0,0,0,0|2,0,0]=4 6478 B12R1.1631 OCCNc1c(ccnc1F)Cl 1a73b7461160a6286d9fcc78083752d8 [0,2,0,0,0,0|2,0,0]=4 6479 B12R1.1631 OCCNc1c(ccnc1F)F af0a7a3a3a6c1442d7832a83fd88535b [0,2,0,0,0,0|2,0,0]=4 6480 B12R1.1631 OCCNc1c(cncc1Br)Br bcf590173518ddf74519f3c65e348bba [0,2,0,0,0,0|2,0,0]=4 6481 B12R1.1631 OCCNc1c(cncc1Br)Cl f29755ca3f49b9fe06ed1532b172c4e4 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.1631 OCCNc1c(cncc1Br)F 38047aa98cae28e7e53ac6267cdf83f8 [0,2,0,0,0,0|2,0,0]=4 6483 B12R1.1631 OCCNc1c(cncc1Cl)Cl 2877a964915096ad0ec94240bb5deb2b [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.1631 OCCNc1c(cncc1F)F df57006fb53db89da378557f6fba910d [0,2,0,0,0,0|2,0,0]=4 6485 B12R1.1631 OCCNc1c(cncc1I)Br de085efd152f3db60395330346ec0e89 [0,2,0,0,0,0|2,0,0]=4 6486 B12R1.1631 OCCNc1c(cncc1I)Cl c45cccd6edb2a6de04758faaff96d88b [0,2,0,0,0,0|2,0,0]=4 6487 B12R1.1631 OCCNc1c(cncc1I)F bebaaf4dddc0ee9a1ca011c243a8ad2f [0,2,0,0,0,0|2,0,0]=4 6488 B12R1.1631 OCCNc1c(cncc1I)I 0cbec62bf72f42cf7bb6c9aa1ddbf201 [0,2,0,0,0,0|2,0,0]=4 6489 B12R1.1631 OCNCc1c(cccc1Br)Br 3e7bd8d126ccbafb47d0ff33bd75622c [0,2,0,0,0,0|1,0,0]=3 6490 B12R1.1631 OCNCc1c(cccc1Br)Cl 11bf6d6dfac6d4b064beaaa8d86e4dc0 [0,2,0,0,0,0|1,0,0]=3 6491 B12R1.1631 OCNCc1c(cccc1Br)F 5c6a7e2bc55299e648666fb491bc0c21 [0,2,0,0,0,0|1,0,0]=3 6492 B12R1.1631 OCNCc1c(cccc1Cl)Cl d476790c78e5eba09160105e8ebd8741 [0,2,0,0,0,0|1,0,0]=3 6493 B12R1.1631 OCNCc1c(cccc1Cl)F 106975239ea3ca0e435e2e57249fc33d [0,2,0,0,0,0|1,0,0]=3 6494 B12R1.1631 OCNCc1c(cccc1F)F c07432774dd9207df65944cdbfd8a987 [0,2,0,0,0,0|1,0,0]=3 6495 B12R1.1631 OCNCc1c(cncc1Cl)Cl ff0c4eced0f3fbda4fd7d276acad5256 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.1631 OCNCc1c(cncc1F)F c2ca3c762ff750320ba25ec91b4c1bf6 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.1631 SCCNc1c(cccc1Cl)Cl 07a97b1cd889f218df900f83fed8e149 [0,2,0,0,0,0|1,1,0]=4 6498 B12R1.1631 SCCNc1c(cccc1Cl)S 035364063ec37e1e753778f201a11925 [0,2,0,0,0,0|1,1,0]=4 6499 B12R1.1631 SCCNc1c(cccc1I)Cl a356ca66e310cc187ebc99e40eb95fb4 [0,2,0,0,0,0|1,1,0]=4 6500 B12R1.1631 SCCOc1c(cccc1Br)Br ecb76949fa7ae09c3525a980c70ae614 [0,2,0,0,0,0|1,1,0]=4 6501 B12R1.1631 SCCOc1c(cccc1Br)Cl cd2bd3738e566b36a71062d7f15bfa97 [0,2,0,0,0,0|1,1,0]=4 6502 B12R1.1631 SCCOc1c(cccc1Cl)Cl 3339b6f532fe2671fdb8369ad8fa74d8 [0,2,0,0,0,0|1,1,0]=4 6503 B12R1.1631 SCCOc1c(cccc1I)Cl 290b2d9a956a541f0f8114e87a9bd639 [0,2,0,0,0,0|1,1,0]=4 6504 B12R1.1631 SCCOc1c(cccc1I)I 25b07545e49b355b17867428bede81b8 [0,2,0,0,0,0|1,1,0]=4 6505 B12R1.28 BrCCNCc1cc(ccn1)Br dc8d135073069863867fb810e9456082 [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.28 BrCCNCc1cccc(c1)Br effb840743a36d5ca1212ae572e23e89 [0,2,0,0,0,0|1,0,0]=3 6507 B12R1.28 BrCCNCc1cccc(c1)I 705e584509c8e70c3e5306c34cf9d9dc [0,2,0,0,0,0|1,0,0]=3 6508 B12R1.28 BrCCNCc1cccc(n1)Br 35fdbe778beb0605754f5c973fa89056 [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.28 BrCCNCc1ccnc(c1)Br b846753ff5d7d5fcf8bd2140f56c5dcf [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.28 BrCCNCc1cncc(c1)Br 270d7ae488223683c6127aa670c74ffc [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.28 Brc1cc(ccn1)CNCCI fda38e72894e61e2253af0ca91de0809 [0,2,0,0,0,0|2,0,0]=4 6512 B12R1.28 Brc1cccc(c1)CNCCI a24c38b5ffa11e307c2e1a19f30a87d3 [0,2,0,0,0,0|1,0,0]=3 6513 B12R1.28 Brc1cccc(n1)CNCCI bdd36d6c37e9274a018bca035d80a8c8 [0,2,0,0,0,0|2,0,0]=4 6514 B12R1.28 Brc1ccnc(c1)CNCCI e11909c6a52d8cf388c5d1f8935748af [0,2,0,0,0,0|2,0,0]=4 6515 B12R1.28 Brc1cncc(c1)CNCCI 7a3d7888923ecf21e1b145470a7c3056 [0,2,0,0,0,0|2,0,0]=4 6516 B12R1.28 C#CCCNc1cccc(c1)Br 9a789c86a2cb6f6d9b3d1caf2d383f0c [0,2,0,0,0,0|1,0,1]=4 6517 B12R1.28 C#CCCNc1cccc(c1)C 19358508c1bbebd980867915586e7a0a [0,2,0,0,0,0|1,0,1]=4 6518 B12R1.28 C#CCCNc1cccc(c1)Cl 36c233d7a207a03116e70d3cd23df5e1 [0,2,0,0,0,0|1,0,1]=4 6519 B12R1.28 C#CCCNc1cccc(c1)F 36eef0dcfe007e0b963c57632c53b3c4 [0,2,0,0,0,0|1,0,1]=4 6520 B12R1.28 C#CCCNc1cccc(c1)I 8112f92384a73dcbd7578ed047f14240 [0,2,0,0,0,0|1,0,1]=4 6521 B12R1.28 C#CCCNc1cccc(c1)S e026ee9ed3d15f88f0ba971adbd88d19 [0,2,0,0,0,0|1,0,1]=4 6522 B12R1.28 C#CCCOc1cccc(c1)Br c2d141cdc218d1d9b64a8eefb9382001 [0,2,0,0,0,0|1,0,1]=4 6523 B12R1.28 C#CCCOc1cccc(c1)C 18ae8309037ff9651a14fc9738c6a7d6 [0,2,0,0,0,0|1,0,1]=4 6524 B12R1.28 C#CCCOc1cccc(c1)Cl 4944a2ae7c53ce04dbef55f6df0145e9 [0,2,0,0,0,0|1,0,1]=4 6525 B12R1.28 C#CCCOc1cccc(c1)F 6a1fcf0c2c4def3d6766bfc7dd2af1b4 [0,2,0,0,0,0|1,0,1]=4 6526 B12R1.28 C#CCCOc1cccc(c1)I 350811b9532c204b9fd9cf4f3736c4b8 [0,2,0,0,0,0|1,0,1]=4 6527 B12R1.28 C#CCCOc1cccc(c1)S 259268913978a21237405d4e003f7abe [0,2,0,0,0,0|1,0,1]=4 6528 B12R1.28 C#CCNCc1cccc(c1)Br 471eb6b5483fba7246ae7477dc9674e4 [0,2,0,0,0,0|1,0,1]=4 6529 B12R1.28 C#CCNCc1cccc(c1)C 8db36a4f97c5d0f0f17ade20487f71d0 [0,2,0,0,0,0|1,0,1]=4 6530 B12R1.28 C#CCNCc1cccc(c1)Cl 64840a79052dacc496b02f3f8655a7be [0,2,0,0,0,0|1,0,1]=4 6531 B12R1.28 C#CCNCc1cccc(c1)F 92f907ab228196e83f868d49332e2148 [0,2,0,0,0,0|1,0,1]=4 6532 B12R1.28 C#CCNCc1cccc(c1)I 4da7a645a734dbb8860582e88e01d776 [0,2,0,0,0,0|1,0,1]=4 6533 B12R1.28 C#CCOCc1cccc(c1)Br b6018afed24b02de605e58d0c12cf7cd [0,2,0,0,0,0|1,0,1]=4 6534 B12R1.28 C#CCOCc1cccc(c1)C 2431a51d96ac730b834f70f120288c64 [0,2,0,0,0,0|1,0,1]=4 6535 B12R1.28 C#CCOCc1cccc(c1)Cl 9ce81957dba54ed717fff03e4c30ae4f [0,2,0,0,0,0|1,0,1]=4 6536 B12R1.28 C#CCOCc1cccc(c1)F 3ea25c8088593d2602f82441bbe767a0 [0,2,0,0,0,0|1,0,1]=4 6537 B12R1.28 C#CCOCc1cccc(c1)I ee71218be94987887dccdd83ee6c896a [0,2,0,0,0,0|1,0,1]=4 6538 B12R1.28 C=CCCNc1cccc(c1)Br a4591bb4416f805149b0909810ab29d6 [0,2,0,0,0,0|1,0,1]=4 6539 B12R1.28 C=CCCNc1cccc(c1)C 70e9ee7f1373cdce657590dcaaee2c38 [0,2,0,0,0,0|1,0,1]=4 6540 B12R1.28 C=CCCNc1cccc(c1)Cl 19162552426aeacd3712850fde3210a7 [0,2,0,0,0,0|1,0,1]=4 6541 B12R1.28 C=CCCNc1cccc(c1)F 81c75f294981eb08b0645aa6963892cb [0,2,0,0,0,0|1,0,1]=4 6542 B12R1.28 C=CCCNc1cccc(c1)I 30686e36ca4ea9e4b1c8c068bcd02635 [0,2,0,0,0,0|1,0,1]=4 6543 B12R1.28 C=CCCNc1cccc(c1)O 4b0fc2f89835c748a984f50980e6f661 [0,2,0,0,0,0|1,0,1]=4 6544 B12R1.28 C=CCCNc1cccc(c1)S 0e5e47057816232f21824c3c1be4f0e4 [0,2,0,0,0,0|1,0,1]=4 6545 B12R1.28 C=CCCOc1cccc(c1)Br bba605c77db17708fe312f894767d698 [0,2,0,0,0,0|1,0,1]=4 6546 B12R1.28 C=CCCOc1cccc(c1)C 149a4772d857d0958ea6f806e16636d0 [0,2,0,0,0,0|1,0,1]=4 6547 B12R1.28 C=CCCOc1cccc(c1)Cl 67bc79f975b7bd708c6d3bfc735cfdf1 [0,2,0,0,0,0|1,0,1]=4 6548 B12R1.28 C=CCCOc1cccc(c1)F 7694510654f456e3e402094dd0cffe6f [0,2,0,0,0,0|1,0,1]=4 6549 B12R1.28 C=CCCOc1cccc(c1)I c6e9b0baa68bda97c89fcbde2e05974c [0,2,0,0,0,0|1,0,1]=4 6550 B12R1.28 C=CCCOc1cccc(c1)S a2d0654b16a9cf122115a53cdac92996 [0,2,0,0,0,0|1,0,1]=4 6551 B12R1.28 C=CCNCc1cccc(c1)Br b63e5813142181fe4d2ae87165600d16 [0,2,0,0,0,0|1,0,1]=4 6552 B12R1.28 C=CCNCc1cccc(c1)C 14043a5011f1ee2ad6a15cfb5e6699a2 [0,2,0,0,0,0|1,0,1]=4 6553 B12R1.28 C=CCNCc1cccc(c1)Cl 66e118b9471edb950a57f6cd5a000bd7 [0,2,0,0,0,0|1,0,1]=4 6554 B12R1.28 C=CCNCc1cccc(c1)F 96d06b72e578205c238d4d384474e486 [0,2,0,0,0,0|1,0,1]=4 6555 B12R1.28 C=CCNCc1cccc(c1)I 7953a0dde57a1150b48c08f3ddd78878 [0,2,0,0,0,0|1,0,1]=4 6556 B12R1.28 C=CCOCc1cccc(c1)Br 329f270b357b9fc1c2b0cb0c841f8d1a [0,2,0,0,0,0|1,0,1]=4 6557 B12R1.28 C=CCOCc1cccc(c1)C 3b39b8f97a073e3df1b46f24d8839125 [0,2,0,0,0,0|1,0,1]=4 6558 B12R1.28 C=CCOCc1cccc(c1)Cl e3356a865a02f4ad71510b0a6bbaaeaf [0,2,0,0,0,0|1,0,1]=4 6559 B12R1.28 C=CCOCc1cccc(c1)F c64f528910fdec6ae318a6a295a1b20c [0,2,0,0,0,0|1,0,1]=4 6560 B12R1.28 C=CCOCc1cccc(c1)I 5b3be50e4d4f00ffdb7092a775a6ad5c [0,2,0,0,0,0|1,0,1]=4 6561 B12R1.28 CCCCNc1cc(ccn1)Br 3ce8e9f067c3a96b8cf9dbb1309fc04e [0,2,0,0,0,0|2,0,0]=4 6562 B12R1.28 CCCCNc1cc(ccn1)C df22b9236c0d0914a12a55dc7c64c005 [0,2,0,0,0,0|2,0,0]=4 6563 B12R1.28 CCCCNc1cc(ccn1)Cl cffab7d82e3b95857c958e6281b555d3 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.28 CCCCNc1cc(ccn1)F 76d962442661bbd03d8a1a7a4e1b4df8 [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.28 CCCCNc1cc(ccn1)I 59ce12897e7090fd85fc4dfb96fddf31 [0,2,0,0,0,0|2,0,0]=4 6566 B12R1.28 CCCCNc1cc[nH]c(=O)c1 3680c4d5311ae40abd6ce4902a0424b0 [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.28 CCCCNc1cc[nH]c(=S)c1 ea9cb42b74e9dcca19e8748ca3c5dc34 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.28 CCCCNc1ccc[n+](c1)[O-] 679e1535df40d2e493121e03e1801eb4 [0,2,0,0,0,0|2,0,0]=4 6569 B12R1.28 CCCCNc1cccc(=O)[nH]1 3692f6133be3cd54daa34043dfb91b4f [0,2,0,0,0,0|2,0,0]=4 6570 B12R1.28 CCCCNc1cccc(c1)Br 3ba87045eb71cb9daeb0c6df049ffff7 [0,2,0,0,0,0|1,0,0]=3 6571 B12R1.28 CCCCNc1cccc(c1)C f36b39ad3ead5e197d911ea9d057dd4e [0,2,0,0,0,0|1,0,0]=3 6572 B12R1.28 CCCCNc1cccc(c1)Cl a6dae9e8390011a3064dddc965e1d2b9 [0,2,0,0,0,0|1,0,0]=3 6573 B12R1.28 CCCCNc1cccc(c1)F 0ad37da684945b6ecbc5a392ea5af5e5 [0,2,0,0,0,0|1,0,0]=3 6574 B12R1.28 CCCCNc1cccc(c1)I dc76b7022ba07d453e5841475326c95d [0,2,0,0,0,0|1,0,0]=3 6575 B12R1.28 CCCCNc1cccc(c1)S 43cd57044d5c62dbdc445cebf65eff9d [0,2,0,0,0,0|1,0,0]=3 6576 B12R1.28 CCCCNc1cccc(n1)Br fac5b1f9c484cf59cb6a4b3669a341c0 [0,2,0,0,0,0|2,0,0]=4 6577 B12R1.28 CCCCNc1cccc(n1)C b50c160478b645e8709ed00a31cf2df2 [0,2,0,0,0,0|2,0,0]=4 6578 B12R1.28 CCCCNc1cccc(n1)Cl ed33204606245079fd78621e5440d037 [0,2,0,0,0,0|2,0,0]=4 6579 B12R1.28 CCCCNc1cccc(n1)F a31fed733d277471f4055bcc2e8b1eab [0,2,0,0,0,0|2,0,0]=4 6580 B12R1.28 CCCCNc1cccc(n1)I 0b65a525126639de52d69849ecc93a45 [0,2,0,0,0,0|2,0,0]=4 6581 B12R1.28 CCCCNc1ccnc(c1)Br ecb5342ab7f6e01e3e3b964c4843f8aa [0,2,0,0,0,0|2,0,0]=4 6582 B12R1.28 CCCCNc1ccnc(c1)C e6b03d134a6089ca15a5b9a55503d762 [0,2,0,0,0,0|2,0,0]=4 6583 B12R1.28 CCCCNc1ccnc(c1)Cl 1749b707475bfdeb026197262d22361b [0,2,0,0,0,0|2,0,0]=4 6584 B12R1.28 CCCCNc1ccnc(c1)F 87d73fa5d39fd30e54e9de6d0cafb0f4 [0,2,0,0,0,0|2,0,0]=4 6585 B12R1.28 CCCCNc1ccnc(c1)I 202ff841ad6a80e2f7d252fb9a46ab0d [0,2,0,0,0,0|2,0,0]=4 6586 B12R1.28 CCCCNc1cncc(c1)Br b2fa56f79c380776fe44ba4523a4021f [0,2,0,0,0,0|2,0,0]=4 6587 B12R1.28 CCCCNc1cncc(c1)C 5129cdde89e6a0cff0e8b3d16e5355bb [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.28 CCCCNc1cncc(c1)Cl 48ec9e7a10b4511c58afedd0548e3091 [0,2,0,0,0,0|2,0,0]=4 6589 B12R1.28 CCCCNc1cncc(c1)F 15ad4e01c89a4cfa3dd1c42baf244de2 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.28 CCCCNc1cncc(c1)I ce2eb3e0439ff3de201262b9bef469f8 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.28 CCCCOc1cc(ccn1)Br 127a4e24d70a2e56fe8dba38ab0d7418 [0,2,0,0,0,0|2,0,0]=4 6592 B12R1.28 CCCCOc1cc(ccn1)C a277689bb0c81dba2c426460cd5c464b [0,2,0,0,0,0|2,0,0]=4 6593 B12R1.28 CCCCOc1cc(ccn1)Cl 56a40f70abea0a64471fae4dba24fb5e [0,2,0,0,0,0|2,0,0]=4 6594 B12R1.28 CCCCOc1cc(ccn1)F 7b3ecf9ab860ac39a00f40bc9043bf42 [0,2,0,0,0,0|2,0,0]=4 6595 B12R1.28 CCCCOc1ccc[n+](c1)[O-] df749312c20bba98ad1c8de7c9bf010c [0,2,0,0,0,0|2,0,0]=4 6596 B12R1.28 CCCCOc1cccc(=O)[nH]1 1f22aa2f2c8c4d772359ded89a265096 [0,2,0,0,0,0|2,0,0]=4 6597 B12R1.28 CCCCOc1cccc(c1)Br b144f667443368aab820c1f558ee7729 [0,2,0,0,0,0|1,0,0]=3 6598 B12R1.28 CCCCOc1cccc(c1)C de4e90dba26d310b97e7df87ced1e000 [0,2,0,0,0,0|1,0,0]=3 6599 B12R1.28 CCCCOc1cccc(c1)Cl 6912ea50178fc697373b3eb109be83be [0,2,0,0,0,0|1,0,0]=3 6600 B12R1.28 CCCCOc1cccc(c1)F 9bbd58eababd7836ec763165664cc247 [0,2,0,0,0,0|1,0,0]=3 6601 B12R1.28 CCCCOc1cccc(c1)I 02e05e5116a879aa64014a15641eb41a [0,2,0,0,0,0|1,0,0]=3 6602 B12R1.28 CCCCOc1cccc(c1)S 092550c23bce2a6555f79ad42c314952 [0,2,0,0,0,0|1,0,0]=3 6603 B12R1.28 CCCCOc1cccc(n1)Br 1a9bd0f42ab10adce3654ad95086796d [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.28 CCCCOc1cccc(n1)C d9b6d18f8cc402e5aad7db256f0801f6 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.28 CCCCOc1cccc(n1)F 795e9d086b4da4df60943f877937c501 [0,2,0,0,0,0|2,0,0]=4 6606 B12R1.28 CCCCOc1ccnc(c1)Br a75bf8d3945a7df05c18cef85d06ff19 [0,2,0,0,0,0|2,0,0]=4 6607 B12R1.28 CCCCOc1ccnc(c1)C 958584adfae3a5ad9d3921f49695ad0e [0,2,0,0,0,0|2,0,0]=4 6608 B12R1.28 CCCCOc1ccnc(c1)Cl 8ed91e6bca5cac7a57b73dca14f3ec8b [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.28 CCCCOc1ccnc(c1)F 3873283cc21b8a16e46b3da5fa810d2c [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.28 CCCCOc1cncc(c1)Br a7527beb0dfc7f59c17ee94303ef08de [0,2,0,0,0,0|2,0,0]=4 6611 B12R1.28 CCCCOc1cncc(c1)C 0007ff0e63944aa372234adb125a872c [0,2,0,0,0,0|2,0,0]=4 6612 B12R1.28 CCCCOc1cncc(c1)Cl 43cf7404510a84ae2ffcd7f30b3b3691 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.28 CCCCOc1cncc(c1)F 01b81a592c8dbfe673a2ba66b9183d00 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.28 CCCCOc1cncc(c1)I 6a71a3ae9a8b6a209904e90b5446a08d [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.28 CCCNCc1cc(ccn1)Br 62b70cd570592b04505bcfacfa76c0a8 [0,2,0,0,0,0|2,0,0]=4 6616 B12R1.28 CCCNCc1cc(ccn1)C 8f64567856c5a6b9541eee6863b3acf3 [0,2,0,0,0,0|2,0,0]=4 6617 B12R1.28 CCCNCc1cc(ccn1)Cl 33d38006b2776043cf75acff3a96c3bc [0,2,0,0,0,0|2,0,0]=4 6618 B12R1.28 CCCNCc1cc[nH]c(=O)c1 4d3551ff6d97808fad95dbe208e6e6f7 [0,2,0,0,0,0|2,0,0]=4 6619 B12R1.28 CCCNCc1ccc[n+](c1)[O-] 9030f4a8f20f481b4d929fabb8e9f8c4 [0,2,0,0,0,0|2,0,0]=4 6620 B12R1.28 CCCNCc1cccc(c1)Br ab115619eaf5d28cfa37403b6fa7ac8f [0,2,0,0,0,0|1,0,0]=3 6621 B12R1.28 CCCNCc1cccc(c1)C 0ea9b946138db81b53023dbdaca16203 [0,2,0,0,0,0|1,0,0]=3 6622 B12R1.28 CCCNCc1cccc(c1)Cl d46956d798c81ca7a12e7d74076d63f3 [0,2,0,0,0,0|1,0,0]=3 6623 B12R1.28 CCCNCc1cccc(c1)F fec44b74b110238869e7726b42829c72 [0,2,0,0,0,0|1,0,0]=3 6624 B12R1.28 CCCNCc1cccc(c1)I ec50005f001189b77183e63c9ca35e03 [0,2,0,0,0,0|1,0,0]=3 6625 B12R1.28 CCCNCc1cccc(n1)Br bc593c6f51687abad18885bc99f5c95a [0,2,0,0,0,0|2,0,0]=4 6626 B12R1.28 CCCNCc1cccc(n1)C eb159799c3e39812c6e0f5ecfc00929c [0,2,0,0,0,0|2,0,0]=4 6627 B12R1.28 CCCNCc1cccc(n1)Cl 94687edaf9eb76abc359c0ee14de5cdb [0,2,0,0,0,0|2,0,0]=4 6628 B12R1.28 CCCNCc1cccc(n1)F d2389ac79e260eebbc9be9dd76bffa68 [0,2,0,0,0,0|2,0,0]=4 6629 B12R1.28 CCCNCc1ccnc(c1)Br cd93074a785b440f75a051f29d102f74 [0,2,0,0,0,0|2,0,0]=4 6630 B12R1.28 CCCNCc1ccnc(c1)C 44e3f8e97f0195b1553b942808256e2f [0,2,0,0,0,0|2,0,0]=4 6631 B12R1.28 CCCNCc1ccnc(c1)Cl 8d578c7e3bd687164cedc285e7a85839 [0,2,0,0,0,0|2,0,0]=4 6632 B12R1.28 CCCNCc1ccnc(c1)F 0764251a219853f8ad12c7dad0b77be7 [0,2,0,0,0,0|2,0,0]=4 6633 B12R1.28 CCCNCc1cncc(c1)Br dd5395a070fe2a754d4e2e6686157366 [0,2,0,0,0,0|2,0,0]=4 6634 B12R1.28 CCCNCc1cncc(c1)C 93f050af005663718449bbd3ede95b01 [0,2,0,0,0,0|2,0,0]=4 6635 B12R1.28 CCCNCc1cncc(c1)Cl a9f078773a7c257d3b42b4fe2c63dd8d [0,2,0,0,0,0|2,0,0]=4 6636 B12R1.28 CCCNCc1cncc(c1)F a41a901c88e12e1540206257502347f5 [0,2,0,0,0,0|2,0,0]=4 6637 B12R1.28 CCCOCc1cc(ccn1)Br 55b245978a87266e978cf80fd37b8760 [0,2,0,0,0,0|2,0,0]=4 6638 B12R1.28 CCCOCc1cc(ccn1)C 437e02001d74ccffa20b468cf3b27583 [0,2,0,0,0,0|2,0,0]=4 6639 B12R1.28 CCCOCc1cc(ccn1)Cl 57147ac72f315e193a33357e27e37a83 [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.28 CCCOCc1cc(ccn1)F 8858345998cbadf17293c5f4134b7123 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.28 CCCOCc1cc(ccn1)I 52a63e2452a5d464627ee845ec55bee8 [0,2,0,0,0,0|2,0,0]=4 6642 B12R1.28 CCCOCc1cc[nH]c(=O)c1 82206fb059c9c4c36c258eb5d9cc90c9 [0,2,0,0,0,0|2,0,0]=4 6643 B12R1.28 CCCOCc1ccc[n+](c1)[O-] a5e525d8838aa27d20098eb15f253021 [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.28 CCCOCc1cccc(c1)Br 51b265396dee1ad4a9bb63037e020576 [0,2,0,0,0,0|1,0,0]=3 6645 B12R1.28 CCCOCc1cccc(c1)C d8eb8d05914bbe210bfe6d56aae3fe46 [0,2,0,0,0,0|1,0,0]=3 6646 B12R1.28 CCCOCc1cccc(c1)Cl 04967c4422580f79cdb296f010807ced [0,2,0,0,0,0|1,0,0]=3 6647 B12R1.28 CCCOCc1cccc(c1)F 0d807124e5077ad8540130b67a71280a [0,2,0,0,0,0|1,0,0]=3 6648 B12R1.28 CCCOCc1cccc(c1)I 8a2a3d6ad20e441201e59e161816ef78 [0,2,0,0,0,0|1,0,0]=3 6649 B12R1.28 CCCOCc1cccc(n1)Br 5a5029b9d6268213b7c79e92879e6576 [0,2,0,0,0,0|2,0,0]=4 6650 B12R1.28 CCCOCc1cccc(n1)C 108e42919326b113159263e17f8ec3cb [0,2,0,0,0,0|2,0,0]=4 6651 B12R1.28 CCCOCc1cccc(n1)Cl 3837a6848aec96edc567f764a90da8b2 [0,2,0,0,0,0|2,0,0]=4 6652 B12R1.28 CCCOCc1cccc(n1)F c1faf6b0f233e7e9b5654b5be2923e16 [0,2,0,0,0,0|2,0,0]=4 6653 B12R1.28 CCCOCc1cccc(n1)I c8ff9890bec20a11d495514a971eb19a [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.28 CCCOCc1ccnc(c1)Br c7f7b5da6349bbcc876b2af23d30f842 [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.28 CCCOCc1ccnc(c1)C 03df2ec691f193e1ca6cefb2cc28aec4 [0,2,0,0,0,0|2,0,0]=4 6656 B12R1.28 CCCOCc1ccnc(c1)Cl 8dc40d011cb457572b43eb05750f990a [0,2,0,0,0,0|2,0,0]=4 6657 B12R1.28 CCCOCc1ccnc(c1)F 180548efa17c7463918b6585dde9fd6a [0,2,0,0,0,0|2,0,0]=4 6658 B12R1.28 CCCOCc1cncc(c1)Br edd1bdceb7f06ff4f246dd95ac80987c [0,2,0,0,0,0|2,0,0]=4 6659 B12R1.28 CCCOCc1cncc(c1)C bb3d63bafa19bc290e3048469cddbe1d [0,2,0,0,0,0|2,0,0]=4 6660 B12R1.28 CCCOCc1cncc(c1)Cl f70d4a97328b3231fc0b7408c19e7a61 [0,2,0,0,0,0|2,0,0]=4 6661 B12R1.28 CCCOCc1cncc(c1)F 8bc920bf2f1a3562c1cb9628fd8a9828 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.28 CCCOCc1cncc(c1)I 50ec080ea05aa8d0062dba9e76d8769a [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.28 CCNCCc1cccc(c1)Br 7407aa9054e4fecb39bb7bc51e44c0d3 [0,2,0,0,0,0|1,0,0]=3 6664 B12R1.28 CCNCCc1cccc(c1)C 0b37f05c941770177fcf98d56962ff79 [0,2,0,0,0,0|1,0,0]=3 6665 B12R1.28 CCNCCc1cccc(c1)Cl bb3e937b0c5020373ac596c6a62d7c6c [0,2,0,0,0,0|1,0,0]=3 6666 B12R1.28 CCNCCc1cccc(c1)F b16016975d35bb1c00404543a6d7428f [0,2,0,0,0,0|1,0,0]=3 6667 B12R1.28 CCNCCc1cccc(c1)I b6e52167904a817c188d41fbe58465fb [0,2,0,0,0,0|1,0,0]=3 6668 B12R1.28 CCNCCc1cccc(n1)C 3000329d88efe2a226f3965b3f0354b4 [0,2,0,0,0,0|2,0,0]=4 6669 B12R1.28 CCNCCc1ccnc(c1)C b0eee97d48001267d4883731afd184d6 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.28 CCNCCc1cncc(c1)F 26f3bd16e308a2630e5283c42fb1b1c0 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.28 CCOCCc1cc(ccn1)Br 9443eaadded1848b1ec48a92121d84d2 [0,2,0,0,0,0|2,0,0]=4 6672 B12R1.28 CCOCCc1cccc(c1)Br d0f3ea49e7aa78e8012da5ebab2edff3 [0,2,0,0,0,0|1,0,0]=3 6673 B12R1.28 CCOCCc1cccc(c1)C e15d01aec8191a21a4d3b1c3faee8943 [0,2,0,0,0,0|1,0,0]=3 6674 B12R1.28 CCOCCc1cccc(c1)Cl 7d0820bb278ad9103dd8a2b1a1cfa5f9 [0,2,0,0,0,0|1,0,0]=3 6675 B12R1.28 CCOCCc1cccc(c1)F e796a8f4963a7eb406c1cd938057b94f [0,2,0,0,0,0|1,0,0]=3 6676 B12R1.28 CCOCCc1cccc(c1)I 23bb8fca7b33897456b96ef7e6cee085 [0,2,0,0,0,0|1,0,0]=3 6677 B12R1.28 CCOCCc1cccc(n1)Br 9e12569e7cc680edf89a28b25fabeaa5 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.28 CCOCCc1cccc(n1)C 6a9b5ee2ad20867e1b3d0472855f1891 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.28 CCOCCc1cccc(n1)Cl 196e1e86d26cd7dae35a23baf851489a [0,2,0,0,0,0|2,0,0]=4 6680 B12R1.28 CCOCCc1ccnc(c1)Cl 110c9b886ad89a3b2bea68ea8c959cf1 [0,2,0,0,0,0|2,0,0]=4 6681 B12R1.28 CCOCCc1cncc(c1)F 3b025a833cca82078668ddbcc40f8614 [0,2,0,0,0,0|2,0,0]=4 6682 B12R1.28 CCOCNc1cccc(c1)Br 0ccb51e60749641090e21729194b875a [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.28 CCOCNc1cccc(c1)C 162df6bb26c921cb111acfe1026254c7 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.28 CCOCNc1cccc(c1)Cl 8824cc617cff1d1fc0ee83eee7763a48 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.28 CCOCNc1cccc(c1)F 902a3f5d7af769ec952b2e1a49065281 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.28 CCOCNc1cccc(c1)I fc22ee26d6a8e0a8eaed7b48226b7ddf [0,2,0,0,0,0|2,0,0]=4 6687 B12R1.28 CCOCNc1cccc(c1)S d6453b14e25a1bff2740b140957f26a4 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.28 CCOCOc1cccc(c1)Br 9c820c07659370bda4abf9e35606d1b8 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.28 CCOCOc1cccc(c1)C 31ccd5439bd157242e4675fa35f1e6b7 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.28 CCOCOc1cccc(c1)Cl 240c59c898803bd54edd866e61892be5 [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.28 CCOCOc1cccc(c1)F a5c721a2e96fa6032c4f4da63177d9c4 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.28 CCOCOc1cccc(c1)I bd32b3bb28eaf86d6a585505df5163f4 [0,2,0,0,0,0|2,0,0]=4 6693 B12R1.28 CCOCOc1cccc(c1)S 73f4e2d151548b59a146fc80d1dc0302 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.28 COCCNc1cc(ccn1)Br ee1d551725be2c9befc37ac5d1283453 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.28 COCCNc1cc(ccn1)C 85fc408ff8d9f056e577dc9758b32dad [0,2,0,0,0,0|2,0,0]=4 6696 B12R1.28 COCCNc1cc(ccn1)Cl d36458456327e7c28778da93c2109dd2 [0,2,0,0,0,0|2,0,0]=4 6697 B12R1.28 COCCNc1cc(ccn1)F 8e0823a72bbbe95689d3cb62938bb740 [0,2,0,0,0,0|2,0,0]=4 6698 B12R1.28 COCCNc1cc(ccn1)I 7dbd6bf0c1403ce3a4b0204b02747d4d [0,2,0,0,0,0|2,0,0]=4 6699 B12R1.28 COCCNc1cc(ccn1)O 7e7b9aa81faf890f17c56e59f494936e [0,2,0,0,0,0|2,0,0]=4 6700 B12R1.28 COCCNc1cc[nH]c(=S)c1 108efeaf61ec1c3b38a60014f4ffc888 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.28 COCCNc1ccc[n+](c1)[O-] 5a8f2f9fb7b8f2dabcaaf4fa32da8c66 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.28 COCCNc1cccc(=O)[nH]1 3aa34b4af1ffe1bbf01fdd97da74fa71 [0,2,0,0,0,0|2,0,0]=4 6703 B12R1.28 COCCNc1cccc(c1)Br 71c77c9c3df6a6c91c314b11ceb1849d [0,2,0,0,0,0|1,0,0]=3 6704 B12R1.28 COCCNc1cccc(c1)C 5ef431b95b6bf510cdcd4f0b49dfc6bc [0,2,0,0,0,0|1,0,0]=3 6705 B12R1.28 COCCNc1cccc(c1)Cl 6598ecbda65ef257fda9088d5594ab03 [0,2,0,0,0,0|1,0,0]=3 6706 B12R1.28 COCCNc1cccc(c1)F 0a10994accbb1998222640a161ec1a85 [0,2,0,0,0,0|1,0,0]=3 6707 B12R1.28 COCCNc1cccc(c1)I e043208ffe523e43da91158a2f9dcbd0 [0,2,0,0,0,0|1,0,0]=3 6708 B12R1.28 COCCNc1cccc(c1)O 800174eec4e3bda203f4052df1e6de1f [0,2,0,0,0,0|1,0,0]=3 6709 B12R1.28 COCCNc1cccc(c1)S 90dc9fa308d381631b78a6cfa68bc57b [0,2,0,0,0,0|1,0,0]=3 6710 B12R1.28 COCCNc1cccc(n1)Br cb9250979eb107d81df46325b40a7e6d [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.28 COCCNc1cccc(n1)C f7dcea4e399d78bbd42358205ed2bc77 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.28 COCCNc1cccc(n1)Cl 2908ab7a7ed37a11edcea5cdc2075367 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.28 COCCNc1cccc(n1)F 9836c3d58b7dd7401e24e5150b6f3f0e [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.28 COCCNc1cccc(n1)I 4fa48ae7986ee991138495f48d05ed4b [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.28 COCCNc1ccnc(c1)Br 21a5b23ed08ca99b6dc32c67f3b5529a [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.28 COCCNc1ccnc(c1)C 78e33c7974a5c21444163827e741c650 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.28 COCCNc1ccnc(c1)Cl dec56055cd9d8365469e1ae94d011334 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.28 COCCNc1ccnc(c1)F 660d7771ffb58f7efa113c274ccae080 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.28 COCCNc1ccnc(c1)I 0f7917878fee1ee50b311aa02b78c323 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.28 COCCNc1ccnc(c1)O 92054a9b05f27538ac4c1d5ca3ac5023 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.28 COCCNc1cncc(c1)Br a871bb8079147f7552c415855a1b202e [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.28 COCCNc1cncc(c1)C 31db0a425e2050ea74ab0b93f4636e17 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.28 COCCNc1cncc(c1)Cl f97d7a9633a27cbba6568023465581f8 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.28 COCCNc1cncc(c1)F 39c1f1315e1cdd6983e3dd0fffdb26c4 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.28 COCCNc1cncc(c1)I 659b7935f44cd3bc009382557f21a142 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.28 COCCNc1cncc(c1)O 0c70dc51513e35d30202e6ba4cf1ecbd [0,2,0,0,0,0|2,0,0]=4 6727 B12R1.28 COCCOc1cc(ccn1)Br 7440a534c6c9b2c7ba635c34687f3bfc [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.28 COCCOc1cc(ccn1)C cee4c5491bbe30d12f3bd1e5bf5e9661 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.28 COCCOc1cc(ccn1)Cl 78e1491df8e0396d7b0045053e26fb3a [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.28 COCCOc1cc(ccn1)F 8dda2eb8ba05fbe3fa96bf80df27331b [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.28 COCCOc1ccc[n+](c1)[O-] 4940e6b14a9c82fb539a5450737b2b5c [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.28 COCCOc1cccc(=O)[nH]1 c3e8ecdee4feded6b9db292d2c7128d1 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.28 COCCOc1cccc(c1)Br 47127a9e4c85bd373a527053864e820c [0,2,0,0,0,0|1,0,0]=3 6734 B12R1.28 COCCOc1cccc(c1)C cd5901f2ef21173701644b3d97a50385 [0,2,0,0,0,0|1,0,0]=3 6735 B12R1.28 COCCOc1cccc(c1)Cl e5978f2ed7da6efb1acfdff8b377cd31 [0,2,0,0,0,0|1,0,0]=3 6736 B12R1.28 COCCOc1cccc(c1)F 2680a1a7a75b0f57b56e4116ce7c123b [0,2,0,0,0,0|1,0,0]=3 6737 B12R1.28 COCCOc1cccc(c1)I 4ac55f904251f043d9bb19c5959fa499 [0,2,0,0,0,0|1,0,0]=3 6738 B12R1.28 COCCOc1cccc(c1)S e22098f19d4e0566337c51f23c7aa555 [0,2,0,0,0,0|1,0,0]=3 6739 B12R1.28 COCCOc1cccc(n1)Br 1fb71bc0878da06ac4795b741636bd1c [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.28 COCCOc1cccc(n1)C 36c0fe9a371109bfd1e5b32be1554b55 [0,2,0,0,0,0|2,0,0]=4 6741 B12R1.28 COCCOc1cccc(n1)F 049c2621e59c939853f3de508dafbe00 [0,2,0,0,0,0|2,0,0]=4 6742 B12R1.28 COCCOc1ccnc(c1)Br 3073b8e060958442a0b0d6e0231c1be2 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.28 COCCOc1ccnc(c1)C 7879f94767ec31ec58df1511d5249dd3 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.28 COCCOc1ccnc(c1)Cl b9603b132d5aaffff770e23e756cc79f [0,2,0,0,0,0|2,0,0]=4 6745 B12R1.28 COCCOc1ccnc(c1)F 43980d42c1585ec66efcf8384bc43ab3 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.28 COCCOc1cncc(c1)Br c3e5949798885818d742806bba8c7ef5 [0,2,0,0,0,0|2,0,0]=4 6747 B12R1.28 COCCOc1cncc(c1)C 9da29b939f6dbced618bd47e1877a021 [0,2,0,0,0,0|2,0,0]=4 6748 B12R1.28 COCCOc1cncc(c1)Cl 9c42b3219cbd7d62d4cc496e7f2d8c88 [0,2,0,0,0,0|2,0,0]=4 6749 B12R1.28 COCCOc1cncc(c1)F 305d1655ef0b794a515a69dcb42f4793 [0,2,0,0,0,0|2,0,0]=4 6750 B12R1.28 COCCOc1cncc(c1)I 2fb5ce9b9354328460b86dffbaefa3c2 [0,2,0,0,0,0|2,0,0]=4 6751 B12R1.28 COCNCc1cc(ccn1)Br dd3945e0927cb37503f7c04a7a982bbc [0,2,0,0,0,0|2,0,0]=4 6752 B12R1.28 COCNCc1cc(ccn1)C d805175601fb6ca8e978fc164e6a5c3f [0,2,0,0,0,0|2,0,0]=4 6753 B12R1.28 COCNCc1cc(ccn1)Cl cb4bae921586d8c2756296d517cff2e8 [0,2,0,0,0,0|2,0,0]=4 6754 B12R1.28 COCNCc1cc[nH]c(=O)c1 3e789cb8cc0deeb6cb5e23247df93ea1 [0,2,0,0,0,0|2,0,0]=4 6755 B12R1.28 COCNCc1ccc[n+](c1)[O-] 70afd1e055f78b59e700b4a505dd342f [0,2,0,0,0,0|2,0,0]=4 6756 B12R1.28 COCNCc1cccc(c1)Br bb26088e9109faf63b2c5aab82a0bab2 [0,2,0,0,0,0|1,0,0]=3 6757 B12R1.28 COCNCc1cccc(c1)C 2a616a68489893ac9fc4786c5bd224bd [0,2,0,0,0,0|1,0,0]=3 6758 B12R1.28 COCNCc1cccc(c1)Cl ca1fb393701eed7a8728da9d87eb9356 [0,2,0,0,0,0|1,0,0]=3 6759 B12R1.28 COCNCc1cccc(c1)F cb55f4e89d5e0d7efcab729f0b524b91 [0,2,0,0,0,0|1,0,0]=3 6760 B12R1.28 COCNCc1cccc(c1)I 5bb13b291c47f5546b24577b4829b678 [0,2,0,0,0,0|1,0,0]=3 6761 B12R1.28 COCNCc1cccc(n1)Br b5ae853ad471104a0e8142f2423589ad [0,2,0,0,0,0|2,0,0]=4 6762 B12R1.28 COCNCc1cccc(n1)C cdab8ec141bcfb97a079f3db879ac9cc [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.28 COCNCc1cccc(n1)Cl ce8b827ea365018cec137ab326f8654f [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.28 COCNCc1cccc(n1)F f44becff6669b8944b23bec591b4884e [0,2,0,0,0,0|2,0,0]=4 6765 B12R1.28 COCNCc1ccnc(c1)Br 228a8396ce69cdbed382335b9eff3a4d [0,2,0,0,0,0|2,0,0]=4 6766 B12R1.28 COCNCc1ccnc(c1)C bc949d5c397fee6bd552846cfaa7b999 [0,2,0,0,0,0|2,0,0]=4 6767 B12R1.28 COCNCc1ccnc(c1)Cl 2f4c03f46b845e8b7fdf944d98729db7 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.28 COCNCc1ccnc(c1)F de459df490f93dfcc2f5585d3124d3cd [0,2,0,0,0,0|2,0,0]=4 6769 B12R1.28 COCNCc1cncc(c1)Br 253e61862246c55731d63d516f4c83ef [0,2,0,0,0,0|2,0,0]=4 6770 B12R1.28 COCNCc1cncc(c1)C 669b3e6317d330d0f59dc1ee77a93449 [0,2,0,0,0,0|2,0,0]=4 6771 B12R1.28 COCNCc1cncc(c1)Cl a2c28dcf466062bddd29d77c23de31a7 [0,2,0,0,0,0|2,0,0]=4 6772 B12R1.28 COCNCc1cncc(c1)F 61c8c597ae0de05654aeaf0f10619ef1 [0,2,0,0,0,0|2,0,0]=4 6773 B12R1.28 COCOCc1cc(ccn1)Br a310f049d6055b2642314946d42de21c [0,2,0,0,0,0|2,0,0]=4 6774 B12R1.28 COCOCc1cc(ccn1)C 0c5362de6a2ba86892971dcc793db187 [0,2,0,0,0,0|2,0,0]=4 6775 B12R1.28 COCOCc1cc(ccn1)Cl 0ddac00262a9c8feb431efc74d8795f3 [0,2,0,0,0,0|2,0,0]=4 6776 B12R1.28 COCOCc1cc(ccn1)F f2a6b28a81e694a0670e861cabf96044 [0,2,0,0,0,0|2,0,0]=4 6777 B12R1.28 COCOCc1cc(ccn1)I 1adf91a9a04cbce7cb3eab37ab694e56 [0,2,0,0,0,0|2,0,0]=4 6778 B12R1.28 COCOCc1cc[nH]c(=O)c1 9f1ca1aa36256fb4ffecf2aae64ad251 [0,2,0,0,0,0|2,0,0]=4 6779 B12R1.28 COCOCc1ccc[n+](c1)[O-] 15306f3adcba41b63ce3c2c8b89afba2 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.28 COCOCc1cccc(c1)Br c6cf95c46ea4a77f05562ffd28f5ef20 [0,2,0,0,0,0|1,0,0]=3 6781 B12R1.28 COCOCc1cccc(c1)C 1d01d33a1b21700c4557a3eb1da01433 [0,2,0,0,0,0|1,0,0]=3 6782 B12R1.28 COCOCc1cccc(c1)Cl 725bbbfeda6dcaba43944749d2426b05 [0,2,0,0,0,0|1,0,0]=3 6783 B12R1.28 COCOCc1cccc(c1)F dcd42a5011050a007fb2422fa7534624 [0,2,0,0,0,0|1,0,0]=3 6784 B12R1.28 COCOCc1cccc(c1)I 4b864b485a6df11ced7a4a705c084d98 [0,2,0,0,0,0|1,0,0]=3 6785 B12R1.28 COCOCc1cccc(n1)Br c8a86839a1e3acfaafd34486b37f65d9 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.28 COCOCc1cccc(n1)C c14c63d4030f3848a09d28e8980375e1 [0,2,0,0,0,0|2,0,0]=4 6787 B12R1.28 COCOCc1cccc(n1)Cl bf7f280c5a1c9adc51c7a49fc21a9128 [0,2,0,0,0,0|2,0,0]=4 6788 B12R1.28 COCOCc1cccc(n1)F 270796bf2c9cfaf699ca24d668152740 [0,2,0,0,0,0|2,0,0]=4 6789 B12R1.28 COCOCc1cccc(n1)I fc0c3570d46fee9100c030de749cbfd6 [0,2,0,0,0,0|2,0,0]=4 6790 B12R1.28 COCOCc1ccnc(c1)Br fd14b2a9bbcb823658baafbe211e6c52 [0,2,0,0,0,0|2,0,0]=4 6791 B12R1.28 COCOCc1ccnc(c1)C 88cc02ffe4103e69ee81471f363612dd [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.28 COCOCc1ccnc(c1)Cl e218febb94a1da7ee378e5f77d9cf366 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.28 COCOCc1ccnc(c1)F 61b6a1d5dc056ba847f3df4f3bfd3d44 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.28 COCOCc1cncc(c1)Br 92ffefa4f4b0c9e06345169b4bbdc151 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.28 COCOCc1cncc(c1)C 118622b3f20912dabe8f0be207080fff [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.28 COCOCc1cncc(c1)Cl dd38920f4ed9d0f8988cf48f2d973821 [0,2,0,0,0,0|2,0,0]=4 6797 B12R1.28 COCOCc1cncc(c1)F c2011cef3c516c7a3ae745e3482b6c19 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.28 COCOCc1cncc(c1)I d334f3475ab00a0ef72be323a5a1c434 [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.28 CSCCNc1cccc(c1)Br 2be2fa3518e1fc60eb8a91ac4eeb1411 [0,2,0,0,0,0|1,1,0]=4 6800 B12R1.28 CSCCNc1cccc(c1)C bc9699ba8d498079a42024ba3e1c7ae3 [0,2,0,0,0,0|1,1,0]=4 6801 B12R1.28 CSCCNc1cccc(c1)Cl 5f0045ca103d5e06a23a5bbfdec86f6f [0,2,0,0,0,0|1,1,0]=4 6802 B12R1.28 CSCCNc1cccc(c1)F 1edcbda664525cbf7d6a7d8f869a6799 [0,2,0,0,0,0|1,1,0]=4 6803 B12R1.28 CSCCNc1cccc(c1)I 6a7d517cf2b82db23cd86cdaa1c0fb7f [0,2,0,0,0,0|1,1,0]=4 6804 B12R1.28 CSCCNc1cccc(c1)S dfae6331ccc7a6ebb67631202e57efeb [0,2,0,0,0,0|1,1,0]=4 6805 B12R1.28 CSCCOc1cccc(c1)Br 22a266b55a442675663ee39f1963e18c [0,2,0,0,0,0|1,1,0]=4 6806 B12R1.28 CSCCOc1cccc(c1)C 2e96c03f657c1253187506863a145fa5 [0,2,0,0,0,0|1,1,0]=4 6807 B12R1.28 CSCCOc1cccc(c1)Cl 493920a961deb1373d6fe513a96a2b82 [0,2,0,0,0,0|1,1,0]=4 6808 B12R1.28 CSCCOc1cccc(c1)F 19057a849912d54d32bc3de85a26e17a [0,2,0,0,0,0|1,1,0]=4 6809 B12R1.28 CSCCOc1cccc(c1)I 697230f0fb8ef2a3cf1830721d34217b [0,2,0,0,0,0|1,1,0]=4 6810 B12R1.28 CSCCOc1cccc(c1)S 36b7c7c9003edf97400f1e25f53ec6c1 [0,2,0,0,0,0|1,1,0]=4 6811 B12R1.28 CSCNCc1cccc(c1)Br f9d3f3c5610d32f15a4cccc9e2ad306a [0,2,0,0,0,0|1,1,0]=4 6812 B12R1.28 CSCNCc1cccc(c1)C 6a6a4f6b666f5b67a7439084c9fcaccb [0,2,0,0,0,0|1,1,0]=4 6813 B12R1.28 CSCNCc1cccc(c1)Cl 222e4156e96d8b1d469c8abc375a9dee [0,2,0,0,0,0|1,1,0]=4 6814 B12R1.28 CSCNCc1cccc(c1)F a17bfd137359dc9e621dd8a626e9d1f1 [0,2,0,0,0,0|1,1,0]=4 6815 B12R1.28 CSCNCc1cccc(c1)I 5225bad32a989b6a0930ae62d876e258 [0,2,0,0,0,0|1,1,0]=4 6816 B12R1.28 CSCOCc1cccc(c1)Br 09acea27bc86a74f70f0ecb6b1b36467 [0,2,0,0,0,0|1,1,0]=4 6817 B12R1.28 CSCOCc1cccc(c1)C b92fb5422a027ebfba59db2e4c7028a2 [0,2,0,0,0,0|1,1,0]=4 6818 B12R1.28 CSCOCc1cccc(c1)Cl 03ec11799dc23912722d9ec83bd2bc58 [0,2,0,0,0,0|1,1,0]=4 6819 B12R1.28 CSCOCc1cccc(c1)F 90ab928cefee5e8c1de1e196d6909a20 [0,2,0,0,0,0|1,1,0]=4 6820 B12R1.28 CSCOCc1cccc(c1)I 50057e553d005950b6faf0768541a1d9 [0,2,0,0,0,0|1,1,0]=4 6821 B12R1.28 Cc1cc(ccn1)CCNCF 6c459d1ae5f5879744f5dc7d57f141b7 [0,2,0,0,0,0|2,0,0]=4 6822 B12R1.28 Cc1cc(ccn1)CCNCO 4371a528970015919c6574fde45fa974 [0,2,0,0,0,0|1,0,0]=3 6823 B12R1.28 Cc1cc(ccn1)CNCCBr cdfea36c9ee5f33de986133e2f5cf03d [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.28 Cc1cc(ccn1)CNCCF b2788b8f5d76c9a2358d9613cd297024 [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.28 Cc1cc(ccn1)CNCCI 4e8778b590b9c8258885c7764857d8f5 [0,2,0,0,0,0|2,0,0]=4 6826 B12R1.28 Cc1cc(ccn1)CNCCO 5bf92091a9cdfdefa4062673e0d5b0c2 [0,2,0,0,0,0|1,0,0]=3 6827 B12R1.28 Cc1cc(ccn1)CNCCS 95f71dd653d039f086315ccdb169022b [0,2,0,0,0,0|1,1,0]=4 6828 B12R1.28 Cc1cc(ccn1)COCCF 3c6e4292c2797bcad677794fa628d4fe [0,2,0,0,0,0|2,0,0]=4 6829 B12R1.28 Cc1cc(ccn1)COCCS 0d18ae55d3ecf0b920769b0270d166e1 [0,2,0,0,0,0|1,1,0]=4 6830 B12R1.28 Cc1cc(ccn1)NCCCF 75f02dcdc082a8b1e2879b337954926a [0,2,0,0,0,0|2,0,0]=4 6831 B12R1.28 Cc1cc(ccn1)NCCCO d35e53a927399179612644eac68137b3 [0,2,0,0,0,0|1,0,0]=3 6832 B12R1.28 Cc1cc(ccn1)NCCCS 480632423b982ece3da8059cceb1b7d5 [0,2,0,0,0,0|1,1,0]=4 6833 B12R1.28 Cc1cc(ccn1)NCCON 697f3395fa9cc58945fb9c2da1c508f6 [0,2,0,0,0,0|2,0,0]=4 6834 B12R1.28 Cc1cc(ccn1)OCCCF ffe3a31242de3cd0d2a69c6d40ef49f3 [0,2,0,0,0,0|2,0,0]=4 6835 B12R1.28 Cc1cc(ccn1)OCCCS ad7e20f9da8e1acf5707caab2fd00687 [0,2,0,0,0,0|1,1,0]=4 6836 B12R1.28 Cc1cc(ncn1)NCCCO 308ee8fc07636e8c521ee82fea88547d [0,2,0,0,0,0|2,0,0]=4 6837 B12R1.28 Cc1cccc(c1)CCNC#N c1d1275a5a489531465a38f42b82c752 [0,2,0,0,0,0|1,0,1]=4 6838 B12R1.28 Cc1cccc(c1)CCNC=O 8612d7f8913bad172a89faf2d9f6ab43 [0,2,0,0,0,0|0,0,2]=4 6839 B12R1.28 Cc1cccc(c1)CCNCF d55c688e9678c30b2351e4cbdd7450e3 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.28 Cc1cccc(c1)CCNCO 93a28a38a3a795fa33735682cc180d19 [0,2,0,0,0,0|0,0,0]=2 6841 B12R1.28 Cc1cccc(c1)CCOCF 51adc91e98de89cba91135d6bf1dd274 [0,2,0,0,0,0|1,0,0]=3 6842 B12R1.28 Cc1cccc(c1)CNCC#N f19e7f613a9352e14f08c7dab0cc18d1 [0,2,0,0,0,0|1,0,1]=4 6843 B12R1.28 Cc1cccc(c1)CNCC=O 3b622a3ea53ee48f7996848d6ab6af52 [0,2,0,0,0,0|0,0,2]=4 6844 B12R1.28 Cc1cccc(c1)CNCCBr 3d16c699f5a0003cb132db328a6a1f86 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.28 Cc1cccc(c1)CNCCF 17bd3c1f7a7258949baa12b282458bf4 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.28 Cc1cccc(c1)CNCCI 4c70aa23716d542f76ffcfdb09c9ba53 [0,2,0,0,0,0|1,0,0]=3 6847 B12R1.28 Cc1cccc(c1)CNCCO 8b0e4b8bd6a8c2f5f9d0a2d7f28d8116 [0,2,0,0,0,0|0,0,0]=2 6848 B12R1.28 Cc1cccc(c1)CNCCS 6a17b6589ee9d764e46bc98d6105f564 [0,2,0,0,0,0|0,1,0]=3 6849 B12R1.28 Cc1cccc(c1)COCC#N 39cdd18df24d8e97b3847419114b8a1e [0,2,0,0,0,0|1,0,1]=4 6850 B12R1.28 Cc1cccc(c1)COCC=O a84d033c0f31f81d9ffdca1b412df577 [0,2,0,0,0,0|0,0,2]=4 6851 B12R1.28 Cc1cccc(c1)COCCF 282634da35f199c5d636161a62066198 [0,2,0,0,0,0|1,0,0]=3 6852 B12R1.28 Cc1cccc(c1)COCCS 43a82caf41cdb6cc66e5768facfe490a [0,2,0,0,0,0|0,1,0]=3 6853 B12R1.28 Cc1cccc(c1)NC/C=C\O c7010db5847beca6cb09d1b8488a6efc [0,2,0,0,0,0|0,0,2]=4 6854 B12R1.28 Cc1cccc(c1)NCCC#N 0b3d5772df0cf32c672d1cd7467363d0 [0,2,0,0,0,0|1,0,1]=4 6855 B12R1.28 Cc1cccc(c1)NCCC=O 7c67d7c3bf34b1b10fc1868f03e66b4a [0,2,0,0,0,0|0,0,2]=4 6856 B12R1.28 Cc1cccc(c1)NCCCCl 0c66be29c2ddbeb41e45314daca52e55 [0,2,0,0,0,0|1,0,0]=3 6857 B12R1.28 Cc1cccc(c1)NCCCF e35a42dec1b1763b35d2ce4706c75e8c [0,2,0,0,0,0|1,0,0]=3 6858 B12R1.28 Cc1cccc(c1)NCCCO 6331c0265cdcc1d7fe5e30a546d60d68 [0,2,0,0,0,0|0,0,0]=2 6859 B12R1.28 Cc1cccc(c1)NCCCS 39f4ada09e3aebd3aff579c9d0309860 [0,2,0,0,0,0|0,1,0]=3 6860 B12R1.28 Cc1cccc(c1)NCCON ab68f3976ed9dd578e7533c66a080ffc [0,2,0,0,0,0|1,0,0]=3 6861 B12R1.28 Cc1cccc(c1)OCCC#N 5eaf642c6bbb5b7507224caa93be9539 [0,2,0,0,0,0|1,0,1]=4 6862 B12R1.28 Cc1cccc(c1)OCCC=O 2b8229ed2e66fbd99decd535ce708982 [0,2,0,0,0,0|0,0,2]=4 6863 B12R1.28 Cc1cccc(c1)OCCCF 392809c7bd11ebb7313f38ee4c726962 [0,2,0,0,0,0|1,0,0]=3 6864 B12R1.28 Cc1cccc(c1)OCCCS a9b7aad0970a3fec06a2e6b91591e562 [0,2,0,0,0,0|0,1,0]=3 6865 B12R1.28 Cc1cccc(n1)CCNCF 7e60ec7089ffd5716237ba7ea9cbdca5 [0,2,0,0,0,0|2,0,0]=4 6866 B12R1.28 Cc1cccc(n1)CCNCO ebc11abdc23f379c9b961aa9e165e2f5 [0,2,0,0,0,0|1,0,0]=3 6867 B12R1.28 Cc1cccc(n1)CCOCF 7fdaafd85f6a28954b123ffbfa1a3c95 [0,2,0,0,0,0|2,0,0]=4 6868 B12R1.28 Cc1cccc(n1)CNCCBr 8626aa1de665672811adba9a24173986 [0,2,0,0,0,0|2,0,0]=4 6869 B12R1.28 Cc1cccc(n1)CNCCF 3d3f13359ec6cfa3dc5b9647bd1f5a89 [0,2,0,0,0,0|2,0,0]=4 6870 B12R1.28 Cc1cccc(n1)CNCCI 3547fd153515965ed1b18dbc7136463f [0,2,0,0,0,0|2,0,0]=4 6871 B12R1.28 Cc1cccc(n1)CNCCO 49febb205ff87d94516909228abae49c [0,2,0,0,0,0|1,0,0]=3 6872 B12R1.28 Cc1cccc(n1)CNCCS 5555adc09b5e67a20220f41797503d66 [0,2,0,0,0,0|1,1,0]=4 6873 B12R1.28 Cc1cccc(n1)COCCF 303f1500c1da8be853bf17d6116eda13 [0,2,0,0,0,0|2,0,0]=4 6874 B12R1.28 Cc1cccc(n1)COCCS a19245d1fcd3f929a339be43bfdfe8ea [0,2,0,0,0,0|1,1,0]=4 6875 B12R1.28 Cc1cccc(n1)NCCCCl 2867bd346bd7aec1c883d4e67f712031 [0,2,0,0,0,0|2,0,0]=4 6876 B12R1.28 Cc1cccc(n1)NCCCF 087d9f8e92eefe1da495be10f4dcc044 [0,2,0,0,0,0|2,0,0]=4 6877 B12R1.28 Cc1cccc(n1)NCCCO 75672200db294e0a5afb9ac695cd6750 [0,2,0,0,0,0|1,0,0]=3 6878 B12R1.28 Cc1cccc(n1)NCCCS b96a9be42a6ab1eec8dbb4dc80efb0a8 [0,2,0,0,0,0|1,1,0]=4 6879 B12R1.28 Cc1cccc(n1)NCCON ebbb2fca0268094cf4e4909fde01cad0 [0,2,0,0,0,0|2,0,0]=4 6880 B12R1.28 Cc1cccc(n1)OCCCF dd27d099e0e7f87accaaa6359cb6da8f [0,2,0,0,0,0|2,0,0]=4 6881 B12R1.28 Cc1cccc(n1)OCCCS b9a8db49fc77debcd073d9b8d8a3ae38 [0,2,0,0,0,0|1,1,0]=4 6882 B12R1.28 Cc1ccnc(c1)CNCCBr 5504747fe6664146ba9bb2f12301507e [0,2,0,0,0,0|2,0,0]=4 6883 B12R1.28 Cc1ccnc(c1)CNCCF 871fe36aa72569bc87d32a3842831334 [0,2,0,0,0,0|2,0,0]=4 6884 B12R1.28 Cc1ccnc(c1)CNCCO 74953434992abc476ab9b35e6dc1b58f [0,2,0,0,0,0|1,0,0]=3 6885 B12R1.28 Cc1ccnc(c1)CNCCS 138cd4b29cd2406e21a046031a8fbadb [0,2,0,0,0,0|1,1,0]=4 6886 B12R1.28 Cc1ccnc(c1)COCCF e6041e94ae61bfa443f7b4ddefb60bb5 [0,2,0,0,0,0|2,0,0]=4 6887 B12R1.28 Cc1ccnc(c1)COCCS 62812e4e545890d025c804ce686f343b [0,2,0,0,0,0|1,1,0]=4 6888 B12R1.28 Cc1ccnc(c1)NCCCCl c7860a54e8e9214c8bba1958aefd8669 [0,2,0,0,0,0|2,0,0]=4 6889 B12R1.28 Cc1ccnc(c1)NCCCF bbb92cfd5d99b292d55da6ed0a755b80 [0,2,0,0,0,0|2,0,0]=4 6890 B12R1.28 Cc1ccnc(c1)NCCCO 9fc4b5dcbc7244be78b872d1fad6bf91 [0,2,0,0,0,0|1,0,0]=3 6891 B12R1.28 Cc1ccnc(c1)NCCCS f29e43be2a52ce85ecf0de3ed63b1204 [0,2,0,0,0,0|1,1,0]=4 6892 B12R1.28 Cc1ccnc(c1)NCCON 93d834e18d17da7dc6cc81b756f859f0 [0,2,0,0,0,0|2,0,0]=4 6893 B12R1.28 Cc1ccnc(c1)OCCCF 065b0a2c6268255b8aac649a7f471d1e [0,2,0,0,0,0|2,0,0]=4 6894 B12R1.28 Cc1ccnc(c1)OCCCS b4804cd6364a4076e0d4343eb623d733 [0,2,0,0,0,0|1,1,0]=4 6895 B12R1.28 Cc1ccnc(n1)CNCCO 0631f59921bbc5655d66225600624ec9 [0,2,0,0,0,0|2,0,0]=4 6896 B12R1.28 Cc1ccnc(n1)NCCCO 25c3a27b347b2eabd01e84b7832b585d [0,2,0,0,0,0|2,0,0]=4 6897 B12R1.28 Cc1cncc(c1)CNCCF 55a620894e608b2d1b3588e802ce7c63 [0,2,0,0,0,0|2,0,0]=4 6898 B12R1.28 Cc1cncc(c1)CNCCO cefda059366150485af8d89192c2ffaa [0,2,0,0,0,0|1,0,0]=3 6899 B12R1.28 Cc1cncc(c1)CNCCS 511973fa629a354a342806cddb08f387 [0,2,0,0,0,0|1,1,0]=4 6900 B12R1.28 Cc1cncc(c1)COCCF d899dd190032ce16e462ac991c4d36ce [0,2,0,0,0,0|2,0,0]=4 6901 B12R1.28 Cc1cncc(c1)COCCS f2bdd313f147738ec267a24478d51bd1 [0,2,0,0,0,0|1,1,0]=4 6902 B12R1.28 Cc1cncc(c1)NCCCCl d1d9591361ef3e402f07ab75b6246615 [0,2,0,0,0,0|2,0,0]=4 6903 B12R1.28 Cc1cncc(c1)NCCCF f4dec68247b49ef5cea614de8d8a0fea [0,2,0,0,0,0|2,0,0]=4 6904 B12R1.28 Cc1cncc(c1)NCCCO 2a1ea63561312784d38f642e7bd6fa9f [0,2,0,0,0,0|1,0,0]=3 6905 B12R1.28 Cc1cncc(c1)NCCCS b6dcd1e316e54cf105325b83c18b31ee [0,2,0,0,0,0|1,1,0]=4 6906 B12R1.28 Cc1cncc(c1)NCCON 7e14a7046017fdce2c4a77789ddd87ba [0,2,0,0,0,0|2,0,0]=4 6907 B12R1.28 Cc1cncc(c1)OCCCF 62668e47a0ff62f6d1d11646d4883146 [0,2,0,0,0,0|2,0,0]=4 6908 B12R1.28 Cc1cncc(c1)OCCCS d2d0e12d8803c53352c38bca0ef0ef32 [0,2,0,0,0,0|1,1,0]=4 6909 B12R1.28 Cc1cnnc(c1)NCCCO 48b12b968a3ec39dd1c1f961fc291916 [0,2,0,0,0,0|2,0,0]=4 6910 B12R1.28 Cc1nccc(n1)CNCCO fdc286e107d23f835a5f692b58027258 [0,2,0,0,0,0|2,0,0]=4 6911 B12R1.28 Cc1nccc(n1)NCCCO 6ee7846a4ad92bfef841af80e1f0ac7b [0,2,0,0,0,0|2,0,0]=4 6912 B12R1.28 Clc1cc(ccn1)CNCCBr 710db94401d06c8eb7316a71ad03dd54 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.28 Clc1cc(ccn1)CNCCI 67f2f1e247f01089bfbe19747660282a [0,2,0,0,0,0|2,0,0]=4 6914 B12R1.28 Clc1cccc(c1)CNCCBr 5cc9fe9b89061896b3b402fdf9473d72 [0,2,0,0,0,0|1,0,0]=3 6915 B12R1.28 Clc1cccc(c1)CNCCI b60e7441994a47c87a4bce06f1ff481f [0,2,0,0,0,0|1,0,0]=3 6916 B12R1.28 Clc1cccc(n1)CNCCBr 1639bc9c02c9c4765fab53ea3b8c1060 [0,2,0,0,0,0|2,0,0]=4 6917 B12R1.28 Clc1cccc(n1)CNCCI 293f2e7fa1af8c515120a19400880ebf [0,2,0,0,0,0|2,0,0]=4 6918 B12R1.28 Clc1ccnc(c1)CNCCBr 97c99f754eb304684ee51a44de5329c2 [0,2,0,0,0,0|2,0,0]=4 6919 B12R1.28 Clc1ccnc(c1)CNCCI aeccc440cbf9ee510824b3319a7e9d25 [0,2,0,0,0,0|2,0,0]=4 6920 B12R1.28 Clc1cncc(c1)CNCCBr 346afca3a3b6d0430b7123b2077c645a [0,2,0,0,0,0|2,0,0]=4 6921 B12R1.28 FCCCNc1cc(ccn1)Br 20750c46702897db459c4611a6994d6a [0,2,0,0,0,0|2,0,0]=4 6922 B12R1.28 FCCCNc1cc(ccn1)Cl 53b4b9b33490751e1d13fea72c51cfbd [0,2,0,0,0,0|2,0,0]=4 6923 B12R1.28 FCCCNc1cc(ccn1)F 89111ddb5d0f78e428b7da15668c98dc [0,2,0,0,0,0|2,0,0]=4 6924 B12R1.28 FCCCNc1cc(ccn1)I fd081bf68f1cd6b94d4599b6be0acb72 [0,2,0,0,0,0|2,0,0]=4 6925 B12R1.28 FCCCNc1cc[nH]c(=S)c1 2f0dda5d020c53834f13d6565b5489a3 [0,2,0,0,0,0|2,0,0]=4 6926 B12R1.28 FCCCNc1cccc(c1)Br a5e779c5a6e01a7940ef45e25ab8ffe5 [0,2,0,0,0,0|1,0,0]=3 6927 B12R1.28 FCCCNc1cccc(c1)Cl 2e2f7a49672e6223a274afd34e56ccd6 [0,2,0,0,0,0|1,0,0]=3 6928 B12R1.28 FCCCNc1cccc(c1)F 884148387af44d3273857fac2d94011a [0,2,0,0,0,0|1,0,0]=3 6929 B12R1.28 FCCCNc1cccc(c1)I 05facb2243fe352417590e09ec3f00ae [0,2,0,0,0,0|1,0,0]=3 6930 B12R1.28 FCCCNc1cccc(c1)S 9d9097c240ebf472387e6a66e727366f [0,2,0,0,0,0|1,0,0]=3 6931 B12R1.28 FCCCNc1cccc(n1)Br a202b16ae933f4870621be27c951efed [0,2,0,0,0,0|2,0,0]=4 6932 B12R1.28 FCCCNc1cccc(n1)Cl e046fa9181aa6bec69be19adf16bb8e1 [0,2,0,0,0,0|2,0,0]=4 6933 B12R1.28 FCCCNc1cccc(n1)F 41ca97cf0f3f738f6abd0e34da4e8f75 [0,2,0,0,0,0|2,0,0]=4 6934 B12R1.28 FCCCNc1cccc(n1)I 355ab42f772375ac1390675338787b79 [0,2,0,0,0,0|2,0,0]=4 6935 B12R1.28 FCCCNc1ccnc(c1)Br b04f6846ea2d2e3f9184d87e607618f9 [0,2,0,0,0,0|2,0,0]=4 6936 B12R1.28 FCCCNc1ccnc(c1)Cl d92fdaf5c5c9ce93b0e39384665767d5 [0,2,0,0,0,0|2,0,0]=4 6937 B12R1.28 FCCCNc1ccnc(c1)F cfc6000852a18b78c8e86050a12a3eb7 [0,2,0,0,0,0|2,0,0]=4 6938 B12R1.28 FCCCNc1ccnc(c1)I b28a3174bb26cb94105afe852c83c99d [0,2,0,0,0,0|2,0,0]=4 6939 B12R1.28 FCCCNc1cncc(c1)Br 3d9efa80d7d6c398b7b8408f858e5185 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.28 FCCCNc1cncc(c1)Cl ebd14ac778646e3ae9cb2402316320c7 [0,2,0,0,0,0|2,0,0]=4 6941 B12R1.28 FCCCNc1cncc(c1)F 365aa01c55851263983acd4a1d692465 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.28 FCCCNc1cncc(c1)I 5aac825fbd51ac16ec1ced0a6cf6b5c0 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.28 FCCCOc1cc(ccn1)Br 4fcdd560e6d5026c903f0da0b54230c8 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.28 FCCCOc1cc(ccn1)Cl f0a471f7fef3b4cb15a0f20b8c10b6e8 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.28 FCCCOc1cc(ccn1)F 666e5ca75b34671f5bf51d98f9214a45 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.28 FCCCOc1cccc(c1)Br f93da663360a7fce01815877b2ea7f4c [0,2,0,0,0,0|1,0,0]=3 6947 B12R1.28 FCCCOc1cccc(c1)Cl 9f9989d3848ba74e066cf951a1173a5f [0,2,0,0,0,0|1,0,0]=3 6948 B12R1.28 FCCCOc1cccc(c1)F b1ad24f8520f67d0652853b88fb39a17 [0,2,0,0,0,0|1,0,0]=3 6949 B12R1.28 FCCCOc1cccc(c1)I 6c9f8788789d6b83d54430480d289a2c [0,2,0,0,0,0|1,0,0]=3 6950 B12R1.28 FCCCOc1cccc(c1)S ca68aa5dd7281fae8def9ff54c271d26 [0,2,0,0,0,0|1,0,0]=3 6951 B12R1.28 FCCCOc1cccc(n1)Br eac71a92f7708f46aedcf642601655cb [0,2,0,0,0,0|2,0,0]=4 6952 B12R1.28 FCCCOc1cccc(n1)F 7a567548ae8bb368ca1ebcd10294acdb [0,2,0,0,0,0|2,0,0]=4 6953 B12R1.28 FCCCOc1ccnc(c1)Br 2b7c854b85f79add81496d029e778f77 [0,2,0,0,0,0|2,0,0]=4 6954 B12R1.28 FCCCOc1ccnc(c1)Cl 6f163034195d08c516736af101902ae6 [0,2,0,0,0,0|2,0,0]=4 6955 B12R1.28 FCCCOc1ccnc(c1)F de1f752989b49cda0bd90d8215f12c5b [0,2,0,0,0,0|2,0,0]=4 6956 B12R1.28 FCCCOc1cncc(c1)Br c645e52811fd1139ca94cec17f314dba [0,2,0,0,0,0|2,0,0]=4 6957 B12R1.28 FCCCOc1cncc(c1)Cl e9de4c1b35ba0eb643be150f3096f8a6 [0,2,0,0,0,0|2,0,0]=4 6958 B12R1.28 FCCCOc1cncc(c1)F 8a8a5c6c500ca3e395527e436c7a8452 [0,2,0,0,0,0|2,0,0]=4 6959 B12R1.28 FCCCOc1cncc(c1)I 428aae2cadf0e4455b2ab9d1ac7eb201 [0,2,0,0,0,0|2,0,0]=4 6960 B12R1.28 FCCNCc1cc(ccn1)Br 37e292d67e2ddb7dc67b1f343074d036 [0,2,0,0,0,0|2,0,0]=4 6961 B12R1.28 FCCNCc1cc(ccn1)Cl e6e761bbfa935bb14c6c929e1a6ced97 [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.28 FCCNCc1cccc(c1)Br a3f22b0af0f3c7a2fbd6499b3ebe667b [0,2,0,0,0,0|1,0,0]=3 6963 B12R1.28 FCCNCc1cccc(c1)Cl f15db2fa73a775f1ae5fbfc63c655621 [0,2,0,0,0,0|1,0,0]=3 6964 B12R1.28 FCCNCc1cccc(c1)F 0047a9122fdddadabcda076ea5ec82d2 [0,2,0,0,0,0|1,0,0]=3 6965 B12R1.28 FCCNCc1cccc(c1)I 838a45c5d193552ef6deb99293726a1d [0,2,0,0,0,0|1,0,0]=3 6966 B12R1.28 FCCNCc1cccc(n1)Br 5b3d558407727ecb6f03679f628ce636 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.28 FCCNCc1cccc(n1)Cl acc7022b50e3aa417dc7658c4eb9a367 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.28 FCCNCc1cccc(n1)F 890b801bd6ff66aefdc8aa338e0b0115 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.28 FCCNCc1ccnc(c1)Br 9ba830d80b072fb97e3d9048515da614 [0,2,0,0,0,0|2,0,0]=4 6970 B12R1.28 FCCNCc1ccnc(c1)Cl dbec4057d8a332dfa4ed5afffa5273c9 [0,2,0,0,0,0|2,0,0]=4 6971 B12R1.28 FCCNCc1ccnc(c1)F 6b53a6b44419dc5b22f2f8d68b3f582f [0,2,0,0,0,0|2,0,0]=4 6972 B12R1.28 FCCNCc1cncc(c1)Br 68ad23512e11f9f0d10dd34b0362476a [0,2,0,0,0,0|2,0,0]=4 6973 B12R1.28 FCCNCc1cncc(c1)Cl cfe4f8fae9388bb2f3d9ec260342b49e [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.28 FCCNCc1cncc(c1)F 648421aa8359106d84bc95e681dcff01 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.28 FCCOCc1cc(ccn1)Br ffb7bf79dcb1b96c6bc315c64bd13f57 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.28 FCCOCc1cc(ccn1)Cl f963a4e998c061339937a466e96be76b [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.28 FCCOCc1cc(ccn1)F b786c1023f18825b27e6450066254021 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.28 FCCOCc1cc(ccn1)I f0e1b8604f6a5483e627bfe0b9fb8e43 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.28 FCCOCc1cccc(c1)Br 132f95e9b8e1e151e4d44f1ee2326667 [0,2,0,0,0,0|1,0,0]=3 6980 B12R1.28 FCCOCc1cccc(c1)Cl f6dced709428e91168328d103e0ea18c [0,2,0,0,0,0|1,0,0]=3 6981 B12R1.28 FCCOCc1cccc(c1)F f562d08b05eaa436a5cc3c15d63d906e [0,2,0,0,0,0|1,0,0]=3 6982 B12R1.28 FCCOCc1cccc(c1)I 2c636c0a42a80a0fdaf46f0fd79e6db4 [0,2,0,0,0,0|1,0,0]=3 6983 B12R1.28 FCCOCc1cccc(n1)Br 88dfce928a8783cb4e0142ff8ef46efb [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.28 FCCOCc1cccc(n1)Cl ce93508e2b15f32fc62bbace70658d2d [0,2,0,0,0,0|2,0,0]=4 6985 B12R1.28 FCCOCc1cccc(n1)F c9e38f290a2fd8051d30094b0aed554f [0,2,0,0,0,0|2,0,0]=4 6986 B12R1.28 FCCOCc1cccc(n1)I 29157cde9268ed718861c6c360e5c3b3 [0,2,0,0,0,0|2,0,0]=4 6987 B12R1.28 FCCOCc1ccnc(c1)Br f1bc03b0db96df63175f646546dc70e8 [0,2,0,0,0,0|2,0,0]=4 6988 B12R1.28 FCCOCc1ccnc(c1)Cl 99bc104905a13962ed9f98a2f8f2aa13 [0,2,0,0,0,0|2,0,0]=4 6989 B12R1.28 FCCOCc1ccnc(c1)F 9c5ebb3c66091c099838f67bf60a35e5 [0,2,0,0,0,0|2,0,0]=4 6990 B12R1.28 FCCOCc1cncc(c1)Br f80b78c01ce168282c9a96ee895ebe51 [0,2,0,0,0,0|2,0,0]=4 6991 B12R1.28 FCCOCc1cncc(c1)Cl ac196551aab31cd9c124a653dc95f670 [0,2,0,0,0,0|2,0,0]=4 6992 B12R1.28 FCCOCc1cncc(c1)F dbcc2595f1b42ef77984b45d13b0b06a [0,2,0,0,0,0|2,0,0]=4 6993 B12R1.28 FCCOCc1cncc(c1)I 2138a634167595f89cf544f7abb03f1d [0,2,0,0,0,0|2,0,0]=4 6994 B12R1.28 FCNCCc1cccc(c1)Br 63f95ad9afdafac9c0c58398008d9140 [0,2,0,0,0,0|1,0,0]=3 6995 B12R1.28 FCNCCc1cccc(c1)Cl 1a5022cf19c45426af5ea2234f529088 [0,2,0,0,0,0|1,0,0]=3 6996 B12R1.28 FCNCCc1cccc(c1)F 7803834c60c721df84b912fcbd31c5e3 [0,2,0,0,0,0|1,0,0]=3 6997 B12R1.28 FCNCCc1cccc(c1)I 9ad8ab4dfb25921bc02195f41c6a88d6 [0,2,0,0,0,0|1,0,0]=3 6998 B12R1.28 FCNCCc1cncc(c1)F 1cd018708abefeebf05e07d9ab1e8775 [0,2,0,0,0,0|2,0,0]=4 6999 B12R1.28 FCOCCc1cc(ccn1)Br 1d67ca73e80c287972ef70c072527093 [0,2,0,0,0,0|2,0,0]=4 7000 B12R1.28 FCOCCc1cccc(c1)Br 4ceda77946fa660e1bde11b804bc61bf [0,2,0,0,0,0|1,0,0]=3 7001 B12R1.28 FCOCCc1cccc(c1)Cl c3312cd6c6d4529fd33e4cdbb4ad83ea [0,2,0,0,0,0|1,0,0]=3 7002 B12R1.28 FCOCCc1cccc(c1)F 3aed3878adb707025955cb0be47782c7 [0,2,0,0,0,0|1,0,0]=3 7003 B12R1.28 FCOCCc1cccc(c1)I 555c4e52e5544fe1560ead1fd2baaa04 [0,2,0,0,0,0|1,0,0]=3 7004 B12R1.28 FCOCCc1cccc(n1)Br 9e2f58cfecc65f95e9eb8abf0ac88104 [0,2,0,0,0,0|2,0,0]=4 7005 B12R1.28 FCOCCc1cccc(n1)Cl 7a6d4f4f18125d0fb13ee8adef0de2ed [0,2,0,0,0,0|2,0,0]=4 7006 B12R1.28 FCOCCc1ccnc(c1)Cl 683fb80f0855177002d002b9fe5ee299 [0,2,0,0,0,0|2,0,0]=4 7007 B12R1.28 FCOCCc1cncc(c1)F d791c97a5a61c43b2cf809f073f53838 [0,2,0,0,0,0|2,0,0]=4 7008 B12R1.28 Fc1cc(ccn1)CNCCBr e832da1eec026f76959c697fb404224c [0,2,0,0,0,0|2,0,0]=4 7009 B12R1.28 Fc1cc(ccn1)CNCCI afa5e8d61359e62eb5a4df4c9f9f7ea2 [0,2,0,0,0,0|2,0,0]=4 7010 B12R1.28 Fc1cc(ccn1)CNCCS d652e76214e8dbf75b20a43ed1725bd1 [0,2,0,0,0,0|1,1,0]=4 7011 B12R1.28 Fc1cc(ccn1)COCCS 665fad169c7d0b32d61968755c4857a1 [0,2,0,0,0,0|1,1,0]=4 7012 B12R1.28 Fc1cc(ccn1)NCCCCl b74d5347f1fc271ab86fbe88584fc501 [0,2,0,0,0,0|2,0,0]=4 7013 B12R1.28 Fc1cc(ccn1)NCCCS 9ec39a08d3a9ae7f1999dc2d21adcce2 [0,2,0,0,0,0|1,1,0]=4 7014 B12R1.28 Fc1cc(ccn1)OCCCS c0a1f3690d3d39fa784848b9f4e7f3a5 [0,2,0,0,0,0|1,1,0]=4 7015 B12R1.28 Fc1cccc(c1)CNCCBr 506f094ea498024ae966b9d0ba6e14d4 [0,2,0,0,0,0|1,0,0]=3 7016 B12R1.28 Fc1cccc(c1)CNCCI d38c7b33aa5d62a638e183f4f4b82dbf [0,2,0,0,0,0|1,0,0]=3 7017 B12R1.28 Fc1cccc(c1)CNCCS a1f94b181fc0aabeee5680bbd229fcdc [0,2,0,0,0,0|0,1,0]=3 7018 B12R1.28 Fc1cccc(c1)COCCS 8abc65e02dcbf52f4ceee62118cddb07 [0,2,0,0,0,0|0,1,0]=3 7019 B12R1.28 Fc1cccc(c1)NCCCCl 094531d9b3eb8d8a70db119eaf87882b [0,2,0,0,0,0|1,0,0]=3 7020 B12R1.28 Fc1cccc(c1)NCCCS 199ff1ce92a3f647a23e1c1609c39884 [0,2,0,0,0,0|0,1,0]=3 7021 B12R1.28 Fc1cccc(c1)OCCCS 3ff5801d65a6ed1a4402137e97b0da73 [0,2,0,0,0,0|0,1,0]=3 7022 B12R1.28 Fc1cccc(n1)CNCCBr 3905ecb4e4fc0000c318a771636abbff [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.28 Fc1cccc(n1)CNCCI b6449d42531f359f00434bb737df3064 [0,2,0,0,0,0|2,0,0]=4 7024 B12R1.28 Fc1cccc(n1)CNCCS c5947ebb06f1cf2feeb31d9ae5338949 [0,2,0,0,0,0|1,1,0]=4 7025 B12R1.28 Fc1cccc(n1)COCCS 51602e82d1d4a97fade4acd2fcdfa9d8 [0,2,0,0,0,0|1,1,0]=4 7026 B12R1.28 Fc1cccc(n1)NCCCCl 6902a107e7b73d161df237774d1e4a78 [0,2,0,0,0,0|2,0,0]=4 7027 B12R1.28 Fc1cccc(n1)NCCCS 85288a18300949a82a26b0b4a0f21ba4 [0,2,0,0,0,0|1,1,0]=4 7028 B12R1.28 Fc1cccc(n1)OCCCS 0f26c01967ca2db6471d9c623cc23a61 [0,2,0,0,0,0|1,1,0]=4 7029 B12R1.28 Fc1ccnc(c1)COCCS 2e115053b9241b0e7d9ca89fafb71f53 [0,2,0,0,0,0|1,1,0]=4 7030 B12R1.28 Fc1ccnc(c1)NCCCCl c6229e4ba2f5aea87dd35471740c8529 [0,2,0,0,0,0|2,0,0]=4 7031 B12R1.28 Fc1ccnc(c1)NCCCS 2884715b08239f8eb1369eb14859f809 [0,2,0,0,0,0|1,1,0]=4 7032 B12R1.28 Fc1ccnc(c1)OCCCS 13996c3fca7e267d37ea3dfac5e79322 [0,2,0,0,0,0|1,1,0]=4 7033 B12R1.28 Fc1cncc(c1)CNCCBr ab19479e595983d7143c20e75c17312d [0,2,0,0,0,0|2,0,0]=4 7034 B12R1.28 Fc1cncc(c1)CNCCI dece732940f0913873e5843f339ccebb [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.28 Fc1cncc(c1)CNCCS 5dd3722b58f0cc2d7b2c13f9cb1ad374 [0,2,0,0,0,0|1,1,0]=4 7036 B12R1.28 Fc1cncc(c1)COCCS 6f6eebf965f2b7900513ddf43ec548fb [0,2,0,0,0,0|1,1,0]=4 7037 B12R1.28 Fc1cncc(c1)NCCCCl 3cc57af265543882704d03b7e8b0585b [0,2,0,0,0,0|2,0,0]=4 7038 B12R1.28 Fc1cncc(c1)NCCCS 9839a7903ca34b02da84997d9b0428a7 [0,2,0,0,0,0|1,1,0]=4 7039 B12R1.28 Fc1cncc(c1)OCCCS cf603ba5dc89e8c9c83893eda3531d05 [0,2,0,0,0,0|1,1,0]=4 7040 B12R1.28 ICCNCc1cccc(c1)I 84cafd462cbe5b29022c0af33af91f01 [0,2,0,0,0,0|1,0,0]=3 7041 B12R1.28 N#CCCNc1cccc(c1)Br 2b39080b86d4ba190d49381a5bb70ca6 [0,2,0,0,0,0|1,0,1]=4 7042 B12R1.28 N#CCCNc1cccc(c1)Cl c52658b4775ea7a92dff23b220abd75b [0,2,0,0,0,0|1,0,1]=4 7043 B12R1.28 N#CCCNc1cccc(c1)F 83d344b00acb8e101631212a33bf7fd4 [0,2,0,0,0,0|1,0,1]=4 7044 B12R1.28 N#CCCNc1cccc(c1)I e29c12054163ee2ae4b1ff4e16a46797 [0,2,0,0,0,0|1,0,1]=4 7045 B12R1.28 N#CCCNc1cccc(c1)S 18790b0c0aad13937cfbf3e98cb77a0c [0,2,0,0,0,0|1,0,1]=4 7046 B12R1.28 N#CCCOc1cccc(c1)Br 9dca7f86f66d918eb9e716ccbba769e4 [0,2,0,0,0,0|1,0,1]=4 7047 B12R1.28 N#CCCOc1cccc(c1)Cl 52d43a3762e01501bce90a345efe6c4d [0,2,0,0,0,0|1,0,1]=4 7048 B12R1.28 N#CCCOc1cccc(c1)F 215e1d8922003283b10c2205f67ce9f8 [0,2,0,0,0,0|1,0,1]=4 7049 B12R1.28 N#CCCOc1cccc(c1)I 97bd074d327e4842369c879c0acf2fee [0,2,0,0,0,0|1,0,1]=4 7050 B12R1.28 N#CCCOc1cccc(c1)S 17b2e3c71864beb3ec52a77a6d6b2aa2 [0,2,0,0,0,0|1,0,1]=4 7051 B12R1.28 N#CCNCc1cccc(c1)Br 879d2922403e1782ed45c331a89d3886 [0,2,0,0,0,0|1,0,1]=4 7052 B12R1.28 N#CCNCc1cccc(c1)Cl a58c2269647f4fefdffb9321719e5127 [0,2,0,0,0,0|1,0,1]=4 7053 B12R1.28 N#CCNCc1cccc(c1)F 56edcd4e0be78e73a041a16c5bad7b6e [0,2,0,0,0,0|1,0,1]=4 7054 B12R1.28 N#CCNCc1cccc(c1)I 3a3e976cc7243b807688ff31d0bc2dc1 [0,2,0,0,0,0|1,0,1]=4 7055 B12R1.28 N#CCOCc1cccc(c1)Br 88f95e5f5fbed1bf64ebb19ef84f835d [0,2,0,0,0,0|1,0,1]=4 7056 B12R1.28 N#CCOCc1cccc(c1)Cl 7700a6c5dd947a985b1594e143459ada [0,2,0,0,0,0|1,0,1]=4 7057 B12R1.28 N#CCOCc1cccc(c1)F 4f4ef263fbd70f4b9f6d9a22fe65760d [0,2,0,0,0,0|1,0,1]=4 7058 B12R1.28 N#CCOCc1cccc(c1)I ee900fe486c7dc42154b9ad8cf9528e1 [0,2,0,0,0,0|1,0,1]=4 7059 B12R1.28 N#CNCCc1cccc(c1)Br f6e612d0d9943970d6ce083ec1a487a9 [0,2,0,0,0,0|1,0,1]=4 7060 B12R1.28 N#CNCCc1cccc(c1)Cl baf9527724387139669f927602c8f532 [0,2,0,0,0,0|1,0,1]=4 7061 B12R1.28 N#CNCCc1cccc(c1)F 7ce7afac94ec11203951698d20b5fd9e [0,2,0,0,0,0|1,0,1]=4 7062 B12R1.28 NOCCNc1cc(ccn1)F 2b95d7cadab69555c0b11009e29c218b [0,2,0,0,0,0|2,0,0]=4 7063 B12R1.28 NOCCNc1cc(ccn1)O df9f10fba9de1de7ed36ba5253825ad2 [0,2,0,0,0,0|2,0,0]=4 7064 B12R1.28 NOCCNc1cc[nH]c(=O)c1 d3899ee2254b280c430c5712a0047a4f [0,2,0,0,0,0|2,0,0]=4 7065 B12R1.28 NOCCNc1ccc[n+](c1)[O-] fc7fdf20a832ea55e4ea38a1edada716 [0,2,0,0,0,0|2,0,0]=4 7066 B12R1.28 NOCCNc1cccc(=O)[nH]1 fbc46f645869b90ae4dc3a45e85f1246 [0,2,0,0,0,0|2,0,0]=4 7067 B12R1.28 NOCCNc1cccc(c1)F 9a5f4dd9237be9a87b6738f0c2397fd5 [0,2,0,0,0,0|1,0,0]=3 7068 B12R1.28 NOCCNc1cccc(c1)O bec84eb16af067f8a8a72737ac43b7ce [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.28 NOCCNc1cccc(c1)S 0eadd2bb23a4b8b41ae2c23bb73221e6 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.28 NOCCNc1cccc(n1)F af562833e35f92d87e05f342a37d7b7a [0,2,0,0,0,0|2,0,0]=4 7071 B12R1.28 NOCCNc1ccnc(c1)F d18b9efbc088db82f9d46233ba06b812 [0,2,0,0,0,0|2,0,0]=4 7072 B12R1.28 NOCCNc1cncc(c1)F 14ab871922564bc417e06c85d8646310 [0,2,0,0,0,0|2,0,0]=4 7073 B12R1.28 NOCCNc1cncc(c1)O 01b5598743679203f9cf5a0a10d05614 [0,2,0,0,0,0|2,0,0]=4 7074 B12R1.28 O/C=C\CNc1cccc(c1)Br 3ee34417ec78dab704e916487074f834 [0,2,0,0,0,0|0,0,2]=4 7075 B12R1.28 O/C=C\CNc1cccc(c1)Cl f488a48064ae669b722bbf26d9c2b93b [0,2,0,0,0,0|0,0,2]=4 7076 B12R1.28 O/C=C\CNc1cccc(c1)F 3257523b92b09d0fab6fa93a3930762e [0,2,0,0,0,0|0,0,2]=4 7077 B12R1.28 O/C=C\CNc1cccc(c1)I 1401d28c4b63360689e65d1b62f29df0 [0,2,0,0,0,0|0,0,2]=4 7078 B12R1.28 O/C=C\CNc1cccc(c1)S 769b6189eaf129133a621dee08420c31 [0,2,0,0,0,0|0,0,2]=4 7079 B12R1.28 O=CCCNc1cccc(c1)Br 8fbd2ec05e101aedb8eda3334b210049 [0,2,0,0,0,0|0,0,2]=4 7080 B12R1.28 O=CCCNc1cccc(c1)Cl 69c07bf3341c3fc872e468241b5742b7 [0,2,0,0,0,0|0,0,2]=4 7081 B12R1.28 O=CCCNc1cccc(c1)F f2b6f3766f268c3a60c3962e14c5bf3e [0,2,0,0,0,0|0,0,2]=4 7082 B12R1.28 O=CCCNc1cccc(c1)I 8448a7b603a7d40f159d40cc6b788826 [0,2,0,0,0,0|0,0,2]=4 7083 B12R1.28 O=CCCNc1cccc(c1)S 4df843387033e4dd01afdd6aa060a14e [0,2,0,0,0,0|0,0,2]=4 7084 B12R1.28 O=CCCOc1cccc(c1)Br 9bc28d28318a07962b975efd987df531 [0,2,0,0,0,0|0,0,2]=4 7085 B12R1.28 O=CCCOc1cccc(c1)Cl 48a21f948630697c9e81dd7d10a65d25 [0,2,0,0,0,0|0,0,2]=4 7086 B12R1.28 O=CCCOc1cccc(c1)F c871482171b370f790f5718b38007f32 [0,2,0,0,0,0|0,0,2]=4 7087 B12R1.28 O=CCCOc1cccc(c1)I 7f5ca1a3069ab6361e6f3a20ee172683 [0,2,0,0,0,0|0,0,2]=4 7088 B12R1.28 O=CCCOc1cccc(c1)S 64ef8b90a275d22fd358e5e768c45de4 [0,2,0,0,0,0|0,0,2]=4 7089 B12R1.28 O=CCNCc1cccc(c1)Br e0e2ddb37b8621f608eeece3d65ef949 [0,2,0,0,0,0|0,0,2]=4 7090 B12R1.28 O=CCNCc1cccc(c1)Cl 9636f0e9280a051f18b5b13d4ddc2059 [0,2,0,0,0,0|0,0,2]=4 7091 B12R1.28 O=CCNCc1cccc(c1)F 7f0ff82acc95a4829005987346c95f4c [0,2,0,0,0,0|0,0,2]=4 7092 B12R1.28 O=CCNCc1cccc(c1)I cb0cb9fd73bd72c81635c2fa60fd4f54 [0,2,0,0,0,0|0,0,2]=4 7093 B12R1.28 O=CCOCc1cccc(c1)Br 957a3191ce4c923e262fda75cb5ada64 [0,2,0,0,0,0|0,0,2]=4 7094 B12R1.28 O=CCOCc1cccc(c1)Cl 520d92abc13bd13f704a57c5f9eb6295 [0,2,0,0,0,0|0,0,2]=4 7095 B12R1.28 O=CCOCc1cccc(c1)F efd067383b692f41aae9e3ecabed2d6d [0,2,0,0,0,0|0,0,2]=4 7096 B12R1.28 O=CCOCc1cccc(c1)I fda2f44c6254b5be22bdef6cb20aee28 [0,2,0,0,0,0|0,0,2]=4 7097 B12R1.28 O=CNCCc1cccc(c1)Br eefcf700003f9cd109d13836e54f277d [0,2,0,0,0,0|0,0,2]=4 7098 B12R1.28 O=CNCCc1cccc(c1)Cl d4c88b189d7027c20056157eb1525ba4 [0,2,0,0,0,0|0,0,2]=4 7099 B12R1.28 O=CNCCc1cccc(c1)F d22bcc2e6c7014d8034482be1e2e158e [0,2,0,0,0,0|0,0,2]=4 7100 B12R1.28 O=CNCCc1cccc(c1)I 9c45a634df681e333c31a7eeca3a62c8 [0,2,0,0,0,0|0,0,2]=4 7101 B12R1.28 O=CNCCc1cccc(c1)O 1ff03f4f09dd5b246a6e6c59eef84eaa [0,2,0,0,0,0|0,0,2]=4 7102 B12R1.28 O=c1cc(cc[nH]1)CNCCBr 6740484c6e1659c2e3bd608233fed9f2 [0,2,0,0,0,0|2,0,0]=4 7103 B12R1.28 O=c1cc(cc[nH]1)CNCCF 76516604a2545bf87a5739f7682ef206 [0,2,0,0,0,0|2,0,0]=4 7104 B12R1.28 O=c1cc(cc[nH]1)CNCCI 229378c1f7b08f7e073f432b2c0d7243 [0,2,0,0,0,0|2,0,0]=4 7105 B12R1.28 O=c1cc(cc[nH]1)CNCCO 122feb3cbcca90a7651ce9083fc8ef2a [0,2,0,0,0,0|1,0,0]=3 7106 B12R1.28 O=c1cc(cc[nH]1)CNCCS d3435b9ee19ad5ea7838d2faf01495da [0,2,0,0,0,0|1,1,0]=4 7107 B12R1.28 O=c1cc(cc[nH]1)COCCF 6d36547d4d0c4558ee197d1cd57f6e3d [0,2,0,0,0,0|2,0,0]=4 7108 B12R1.28 O=c1cc(cc[nH]1)COCCS 68d8a92d254c5195a2995a65f993e10a [0,2,0,0,0,0|1,1,0]=4 7109 B12R1.28 O=c1cc(cc[nH]1)NCCCCl fd6b7f4f1b0c1be8c810a1c2f8a5a374 [0,2,0,0,0,0|2,0,0]=4 7110 B12R1.28 O=c1cc(cc[nH]1)NCCCO c433e728c320cbf69ebb9036f787d869 [0,2,0,0,0,0|1,0,0]=3 7111 B12R1.28 O=c1cc(cn[nH]1)NCCCO d8db0576b387c5f11f144f02528adac2 [0,2,0,0,0,0|2,0,0]=4 7112 B12R1.28 O=c1cccc([nH]1)NCCCCl 41b87fa6b7f637a724493c0b2acc8115 [0,2,0,0,0,0|2,0,0]=4 7113 B12R1.28 O=c1cccc([nH]1)NCCCO 4db784e09290c6c0590cfb4b1314a769 [0,2,0,0,0,0|1,0,0]=3 7114 B12R1.28 O=c1cccc([nH]1)OCCCF 6e20b2d9dadf489aba25c3df7dde10a6 [0,2,0,0,0,0|2,0,0]=4 7115 B12R1.28 O=c1cccc([nH]1)OCCCS 4aa2c9d2e6321843f4a96b2f073d65b5 [0,2,0,0,0,0|1,1,0]=4 7116 B12R1.28 O=c1ccnc([nH]1)NCCCO aae32b20fd598df97cf8f9274b731906 [0,2,0,0,0,0|2,0,0]=4 7117 B12R1.28 O=c1nc(cc[nH]1)CNCCO 93e32aa2ae2537c9e65da4bd1089d722 [0,2,0,0,0,0|2,0,0]=4 7118 B12R1.28 O=c1nc(cc[nH]1)NCCCO 453a5d82f07c0265fb5c80244da1fbdc [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.28 OCCCNc1cc(ccn1)Br f6a8b8f5d0856eb879339864201cccfd [0,2,0,0,0,0|1,0,0]=3 7120 B12R1.28 OCCCNc1cc(ccn1)Cl 986a88af866116997d00e33b4837e80b [0,2,0,0,0,0|1,0,0]=3 7121 B12R1.28 OCCCNc1cc(ccn1)F 4e027b78c0e645b9253dedb6423f8b54 [0,2,0,0,0,0|1,0,0]=3 7122 B12R1.28 OCCCNc1cc(ccn1)I f59415f31db33e14416d965de8f62ea6 [0,2,0,0,0,0|1,0,0]=3 7123 B12R1.28 OCCCNc1cc(cnn1)Br 964b5b061322ded125ca0ad63b8642bc [0,2,0,0,0,0|2,0,0]=4 7124 B12R1.28 OCCCNc1cc(cnn1)Cl fd30e74dd9cb85451794f16adaf98b41 [0,2,0,0,0,0|2,0,0]=4 7125 B12R1.28 OCCCNc1cc(ncn1)Br 3c2e34576c034b0f72697f8ea7e0fbea [0,2,0,0,0,0|2,0,0]=4 7126 B12R1.28 OCCCNc1cc(ncn1)Cl 516dd84c0b6bc806b994ede8fd60b058 [0,2,0,0,0,0|2,0,0]=4 7127 B12R1.28 OCCCNc1cc(ncn1)F 1733cf9257f3bf6dc34ff73a27cbf811 [0,2,0,0,0,0|2,0,0]=4 7128 B12R1.28 OCCCNc1cc(ncn1)I 8382f947176f3db06ac77448436c8706 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.28 OCCCNc1cc[nH]c(=S)c1 c25e5dc3056401fa8d27548d26096850 [0,2,0,0,0,0|1,0,0]=3 7130 B12R1.28 OCCCNc1cccc(c1)Br cf69fbba1731c7b7b182d73471a01be4 [0,2,0,0,0,0|0,0,0]=2 7131 B12R1.28 OCCCNc1cccc(c1)Cl 88f10fbe375978effa6eebb8a9188619 [0,2,0,0,0,0|0,0,0]=2 7132 B12R1.28 OCCCNc1cccc(c1)F b882697ea65ee7871f3124f2dd496ace [0,2,0,0,0,0|0,0,0]=2 7133 B12R1.28 OCCCNc1cccc(c1)I 78c4085590617010aec0ba4d6ba6f2fe [0,2,0,0,0,0|0,0,0]=2 7134 B12R1.28 OCCCNc1cccc(c1)O b8a1a453f36dea395f53aa0824bf7c84 [0,2,0,0,0,0|0,0,0]=2 7135 B12R1.28 OCCCNc1cccc(c1)S 9ca3bc3286df08cfa7f628c8e1f2aead [0,2,0,0,0,0|0,0,0]=2 7136 B12R1.28 OCCCNc1cccc(n1)Br dfa965d8be0fdaf41f92ed17df92c044 [0,2,0,0,0,0|1,0,0]=3 7137 B12R1.28 OCCCNc1cccc(n1)Cl 45cfeeb39d45507f4813a202326042c2 [0,2,0,0,0,0|1,0,0]=3 7138 B12R1.28 OCCCNc1cccc(n1)F ddedb1ae3d302d51470779bd99ee9b96 [0,2,0,0,0,0|1,0,0]=3 7139 B12R1.28 OCCCNc1cccc(n1)I 6c6d5ee0fd17b1e0ef63e4333240386d [0,2,0,0,0,0|1,0,0]=3 7140 B12R1.28 OCCCNc1ccnc(c1)Br 476c86a70b8a35d1b6d60490ee30fce7 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.28 OCCCNc1ccnc(c1)Cl 40ae508c5727d5a438fdffb9bdbc0b45 [0,2,0,0,0,0|1,0,0]=3 7142 B12R1.28 OCCCNc1ccnc(c1)F 72ae87844734d4aa93556cab23a59e8e [0,2,0,0,0,0|1,0,0]=3 7143 B12R1.28 OCCCNc1ccnc(c1)I 1105be78bfeaae71f88c420ef699a54e [0,2,0,0,0,0|1,0,0]=3 7144 B12R1.28 OCCCNc1ccnc(n1)Br f4c9c1d8dc8229ffb47d49869c3f4f9a [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.28 OCCCNc1ccnc(n1)Cl 5b5eb72cb3642c5f0c7997b6b1bf90b6 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.28 OCCCNc1ccnc(n1)F 9ef2b696c5b7bfa7ecf0f400574ec28d [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.28 OCCCNc1ccnc(n1)S 6b2c53a807059924946f4b8b2502fa53 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.28 OCCCNc1cncc(c1)Br 431b3f592b0911ee53fed806cddf888a [0,2,0,0,0,0|1,0,0]=3 7149 B12R1.28 OCCCNc1cncc(c1)Cl c5788972e431f39a67831570ec84a599 [0,2,0,0,0,0|1,0,0]=3 7150 B12R1.28 OCCCNc1cncc(c1)F 79ba0cb8bd5ca6ed5acadc43c820b29b [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.28 OCCCNc1cncc(c1)I 9c1de9f52ba7c087bc94042ef39558c2 [0,2,0,0,0,0|1,0,0]=3 7152 B12R1.28 OCCCNc1cncc(n1)Cl 49bf0be207ed886da175bef4979e68fb [0,2,0,0,0,0|2,0,0]=4 7153 B12R1.28 OCCCNc1cncc(n1)F 116cc826bbc8554390d944017ab96f42 [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.28 OCCCNc1cnnc(c1)Cl 7f41d2e4e2861929b51d7059ac347939 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.28 OCCCNc1cnnc(c1)F 3661072332d3bda42866b27449ae4339 [0,2,0,0,0,0|2,0,0]=4 7156 B12R1.28 OCCCNc1nccc(n1)Br 375ed73209486e221be0f376862b81c6 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.28 OCCCNc1nccc(n1)Cl 6369d25141e919fa1c959a2b99d943b8 [0,2,0,0,0,0|2,0,0]=4 7158 B12R1.28 OCCCNc1nccc(n1)F 039d4dab7ddef0eb29359d80005bb797 [0,2,0,0,0,0|2,0,0]=4 7159 B12R1.28 OCCCNc1nccc(n1)I ccaab91126730d7437d1c350a4f319ca [0,2,0,0,0,0|2,0,0]=4 7160 B12R1.28 OCCCNc1nccc(n1)S feb69ef59989364772af9c582874aa6f [0,2,0,0,0,0|2,0,0]=4 7161 B12R1.28 OCCNCc1cc(ccn1)Br 811409fa99bfcbd9ae815817e82eb602 [0,2,0,0,0,0|1,0,0]=3 7162 B12R1.28 OCCNCc1cc(ccn1)Cl 9d88225fbe6444326bc46920142c5e97 [0,2,0,0,0,0|1,0,0]=3 7163 B12R1.28 OCCNCc1cccc(c1)Br 269adac2794c703a867a6cdfbdcc4b31 [0,2,0,0,0,0|0,0,0]=2 7164 B12R1.28 OCCNCc1cccc(c1)Cl 12da828289841255f4989b01d4fb368f [0,2,0,0,0,0|0,0,0]=2 7165 B12R1.28 OCCNCc1cccc(c1)F 4b3f9f0d35d39d22594c2266a910e961 [0,2,0,0,0,0|0,0,0]=2 7166 B12R1.28 OCCNCc1cccc(c1)I dabfb0966332881d2eb3473e30b644ce [0,2,0,0,0,0|0,0,0]=2 7167 B12R1.28 OCCNCc1cccc(n1)Br 8a468ffc1995caa8bac2337fcbdcf33b [0,2,0,0,0,0|1,0,0]=3 7168 B12R1.28 OCCNCc1cccc(n1)Cl 25209a0d4e4a1e8774a4b0b324031e5b [0,2,0,0,0,0|1,0,0]=3 7169 B12R1.28 OCCNCc1cccc(n1)F bea4cc6274f92afd7eb8ba5f84a76cc9 [0,2,0,0,0,0|1,0,0]=3 7170 B12R1.28 OCCNCc1ccnc(c1)Br 2e3b2d61408253bf428dd5845ce9fe37 [0,2,0,0,0,0|1,0,0]=3 7171 B12R1.28 OCCNCc1ccnc(c1)Cl 9aed950ce5fa155849dc73abf31abddb [0,2,0,0,0,0|1,0,0]=3 7172 B12R1.28 OCCNCc1ccnc(c1)F d72956889edb2fc1b0f54f3743b1a46b [0,2,0,0,0,0|1,0,0]=3 7173 B12R1.28 OCCNCc1ccnc(n1)Cl c6b1f77457dc2fa67fb72b18c89ffdd6 [0,2,0,0,0,0|2,0,0]=4 7174 B12R1.28 OCCNCc1cncc(c1)Br 04e1fd12950a4edc30506be6658585cb [0,2,0,0,0,0|1,0,0]=3 7175 B12R1.28 OCCNCc1cncc(c1)Cl 81833d4779c7a21d81c30385d4e7ae55 [0,2,0,0,0,0|1,0,0]=3 7176 B12R1.28 OCCNCc1cncc(c1)F 622e7f3d6562551576082aa1aec41063 [0,2,0,0,0,0|1,0,0]=3 7177 B12R1.28 OCCNCc1cncc(n1)Cl ae0f72ffcbd97e9b8febff354c344c23 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.28 OCCNCc1nccc(n1)Cl 1565d47a76f62874ffcc3730791c6c7b [0,2,0,0,0,0|2,0,0]=4 7179 B12R1.28 OCNCCc1cccc(c1)Br 3aa38b14d893ea561c6d7be0b882b46e [0,2,0,0,0,0|0,0,0]=2 7180 B12R1.28 OCNCCc1cccc(c1)Cl 10611e4fe6f0ad3695177e63a8cf825e [0,2,0,0,0,0|0,0,0]=2 7181 B12R1.28 OCNCCc1cccc(c1)F 88d3334a709a0b42373bc0c7574dca21 [0,2,0,0,0,0|0,0,0]=2 7182 B12R1.28 OCNCCc1cccc(c1)I 5daf6c5becb322704670a9c1193bd5a3 [0,2,0,0,0,0|0,0,0]=2 7183 B12R1.28 OCNCCc1cncc(c1)F 9a3d41db8a8ffbc99cdca618b1680d94 [0,2,0,0,0,0|1,0,0]=3 7184 B12R1.28 Oc1cccc(c1)NCCCCl de7bfd3663d7e43e0e8f79d6f6f663e8 [0,2,0,0,0,0|1,0,0]=3 7185 B12R1.28 S=c1cc(cc[nH]1)NCCCS 1f257ec95c80495731d1aeba4be54480 [0,2,0,0,0,0|1,1,0]=4 7186 B12R1.28 SCCCNc1cc(ccn1)Br b1707ba86b7002fad5baa013fe9c4ea2 [0,2,0,0,0,0|1,1,0]=4 7187 B12R1.28 SCCCNc1cc(ccn1)Cl b9615b882d0bb25a9296173d1bf2d1af [0,2,0,0,0,0|1,1,0]=4 7188 B12R1.28 SCCCNc1cc(ccn1)I 49bd3faccca08af852a919e959e313cb [0,2,0,0,0,0|1,1,0]=4 7189 B12R1.28 SCCCNc1cccc(c1)Br c5e5a6c29e3438dcb4f6f117c29a1f87 [0,2,0,0,0,0|0,1,0]=3 7190 B12R1.28 SCCCNc1cccc(c1)Cl 7dab5b443edf014f6c5d4a44b2c4ad2a [0,2,0,0,0,0|0,1,0]=3 7191 B12R1.28 SCCCNc1cccc(c1)I 32f6a0335d0e29c8e60b8e6e6b1a46f1 [0,2,0,0,0,0|0,1,0]=3 7192 B12R1.28 SCCCNc1cccc(c1)S 13d71a201fce4434d9fb9f873530dfbe [0,2,0,0,0,0|0,1,0]=3 7193 B12R1.28 SCCCNc1cccc(n1)Br 3fba27e9b4d640f638f5ad677c152f2a [0,2,0,0,0,0|1,1,0]=4 7194 B12R1.28 SCCCNc1cccc(n1)Cl 0304d4ebc57e8070c1b84c7a184fabf8 [0,2,0,0,0,0|1,1,0]=4 7195 B12R1.28 SCCCNc1cccc(n1)I b7ef78719498a9e50d76474b67dd49e5 [0,2,0,0,0,0|1,1,0]=4 7196 B12R1.28 SCCCNc1ccnc(c1)Br 90fb82fa870ea2eb11c8cb3be7a83340 [0,2,0,0,0,0|1,1,0]=4 7197 B12R1.28 SCCCNc1ccnc(c1)Cl 98c793c6d5f97652b9aa0cf3f8d1cbd0 [0,2,0,0,0,0|1,1,0]=4 7198 B12R1.28 SCCCNc1ccnc(c1)I f7d4260c8665852c253e431dd3606ff1 [0,2,0,0,0,0|1,1,0]=4 7199 B12R1.28 SCCCNc1cncc(c1)Br 4fad5fdf73ee306534579b4e2f8d4403 [0,2,0,0,0,0|1,1,0]=4 7200 B12R1.28 SCCCNc1cncc(c1)Cl fe7bd363078420abf4f60a5837371cc0 [0,2,0,0,0,0|1,1,0]=4 7201 B12R1.28 SCCCNc1cncc(c1)I 46cab89d16883e36fd9d1cd5491d70b8 [0,2,0,0,0,0|1,1,0]=4 7202 B12R1.28 SCCCOc1cc(ccn1)Br 6843a6ca0abcb65f90af006bf0e0933d [0,2,0,0,0,0|1,1,0]=4 7203 B12R1.28 SCCCOc1cc(ccn1)Cl 790e4eed3748040b742c7b212401407a [0,2,0,0,0,0|1,1,0]=4 7204 B12R1.28 SCCCOc1cccc(c1)Br 694c125cbc9b74e234f907bad21e1476 [0,2,0,0,0,0|0,1,0]=3 7205 B12R1.28 SCCCOc1cccc(c1)Cl a659b4da7bb502926693b2463441ff4a [0,2,0,0,0,0|0,1,0]=3 7206 B12R1.28 SCCCOc1cccc(c1)I 77d5bac49fc2e792054051cdea34586a [0,2,0,0,0,0|0,1,0]=3 7207 B12R1.28 SCCCOc1cccc(c1)S 69671bc5e424420434e35c35bf3a6fd8 [0,2,0,0,0,0|0,1,0]=3 7208 B12R1.28 SCCCOc1cccc(n1)Br 30ab89d5225fd9513ffd5fd2075f3a7a [0,2,0,0,0,0|1,1,0]=4 7209 B12R1.28 SCCCOc1ccnc(c1)Br 9629d7da92c20e9d395369a8ffda36f9 [0,2,0,0,0,0|1,1,0]=4 7210 B12R1.28 SCCCOc1ccnc(c1)Cl d9cc6ef26016a69b58f8c6092c497467 [0,2,0,0,0,0|1,1,0]=4 7211 B12R1.28 SCCCOc1cncc(c1)Cl d68185a0587459cc04e06427fbebc8cf [0,2,0,0,0,0|1,1,0]=4 7212 B12R1.28 SCCCOc1cncc(c1)I fffa98318733393a4b90cfc78fa844d8 [0,2,0,0,0,0|1,1,0]=4 7213 B12R1.28 SCCNCc1cc(ccn1)Br 701f2db0881d081a7ab57fed8da2b5ef [0,2,0,0,0,0|1,1,0]=4 7214 B12R1.28 SCCNCc1cc(ccn1)Cl cd27ba851ad0eb109a5cbf20553cbd17 [0,2,0,0,0,0|1,1,0]=4 7215 B12R1.28 SCCNCc1cccc(c1)Br 5d070a08d4470619e09054ab75a69b02 [0,2,0,0,0,0|0,1,0]=3 7216 B12R1.28 SCCNCc1cccc(c1)Cl fd44b9b3de5f995549bdbe5c45044b5f [0,2,0,0,0,0|0,1,0]=3 7217 B12R1.28 SCCNCc1cccc(c1)I e10eb4f1f6db83bad36826b20d276fa9 [0,2,0,0,0,0|0,1,0]=3 7218 B12R1.28 SCCNCc1cccc(n1)Br b3a0efac633d2ba62bda7d621932b691 [0,2,0,0,0,0|1,1,0]=4 7219 B12R1.28 SCCNCc1cccc(n1)Cl 8f6e90b001f21d9c8f46d448465e4fa0 [0,2,0,0,0,0|1,1,0]=4 7220 B12R1.28 SCCNCc1ccnc(c1)Br 64c0cd33a57f89a8e8dd3dc158fd6d41 [0,2,0,0,0,0|1,1,0]=4 7221 B12R1.28 SCCNCc1ccnc(c1)Cl 3f854fb44fcb766c51d120449f9b8a47 [0,2,0,0,0,0|1,1,0]=4 7222 B12R1.28 SCCNCc1cncc(c1)Br d5572b78a778947a0d2a32e7762ea0d1 [0,2,0,0,0,0|1,1,0]=4 7223 B12R1.28 SCCNCc1cncc(c1)Cl 2582ca1c8a4d7c79b4855bdb335f864a [0,2,0,0,0,0|1,1,0]=4 7224 B12R1.28 SCCOCc1cc(ccn1)Br 8be98bac35f1e526c63f8be32bc967f1 [0,2,0,0,0,0|1,1,0]=4 7225 B12R1.28 SCCOCc1cc(ccn1)Cl 6fdc9d3530d02acbb441d8c5fcbbca24 [0,2,0,0,0,0|1,1,0]=4 7226 B12R1.28 SCCOCc1cc(ccn1)I 869c4413cd20664aba82b7d39b23183c [0,2,0,0,0,0|1,1,0]=4 7227 B12R1.28 SCCOCc1cccc(c1)Br 9b0f7e02614b195ce19dbc655b74e8c2 [0,2,0,0,0,0|0,1,0]=3 7228 B12R1.28 SCCOCc1cccc(c1)Cl 3aaede370ad1f6069eaafb0c682e2011 [0,2,0,0,0,0|0,1,0]=3 7229 B12R1.28 SCCOCc1cccc(c1)I 5eeb99910ed72a196d67ee1e0e492959 [0,2,0,0,0,0|0,1,0]=3 7230 B12R1.28 SCCOCc1cccc(n1)Br 220cd10e9b3d9986e6eade2f8f677e84 [0,2,0,0,0,0|1,1,0]=4 7231 B12R1.28 SCCOCc1cccc(n1)Cl 3a44e85fa16815771fecb04ffdf4f439 [0,2,0,0,0,0|1,1,0]=4 7232 B12R1.28 SCCOCc1cccc(n1)I 585e9c89e52c1b724aa72d45714beffe [0,2,0,0,0,0|1,1,0]=4 7233 B12R1.28 SCCOCc1ccnc(c1)Br 0821e2606e6acd944f58b22d11bf32bd [0,2,0,0,0,0|1,1,0]=4 7234 B12R1.28 SCCOCc1ccnc(c1)Cl 9a605057177655d0e5071ec9dc3b491c [0,2,0,0,0,0|1,1,0]=4 7235 B12R1.28 SCCOCc1cncc(c1)Br 474409d7c462eb486a99b7a1de81dbc4 [0,2,0,0,0,0|1,1,0]=4 7236 B12R1.28 SCCOCc1cncc(c1)Cl 219d943daf332c654985493800b9be41 [0,2,0,0,0,0|1,1,0]=4 7237 B12R1.28 SCCOCc1cncc(c1)I acd2a46139a9cde2a9059f26b748aec8 [0,2,0,0,0,0|1,1,0]=4 7238 B12R1.28 Sc1cccc(c1)NCCCCl 00ff4909bf6ffa253d373787b90982d4 [0,2,0,0,0,0|1,0,0]=3 7239 B12R1.28 [O-][n+]1cccc(c1)CNCCF 7d0930d9aff1a601405f7af998699447 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.28 [O-][n+]1cccc(c1)CNCCO 889bd8913c88480b6df48dab2d0c3ae6 [0,2,0,0,0,0|1,0,0]=3 7241 B12R1.28 [O-][n+]1cccc(c1)CNCCS b17896355defb87059b48e0206c5c402 [0,2,0,0,0,0|1,1,0]=4 7242 B12R1.28 [O-][n+]1cccc(c1)COCCF 9384553f6205c9d4f9a1ce22ace03c24 [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.28 [O-][n+]1cccc(c1)COCCS cfbd50d8f640972f4006387bfeffd329 [0,2,0,0,0,0|1,1,0]=4 7244 B12R1.28 [O-][n+]1cccc(c1)NCCCCl 419762ad7dfe8c355b4eb4ea2bc1b282 [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.28 [O-][n+]1cccc(c1)NCCCO 8b1888d183201af83070c792ff6d2dcb [0,2,0,0,0,0|1,0,0]=3 7246 B12R1.28 [O-][n+]1cccc(c1)OCCCF 1cca746e55b9966693c8d751ee74e194 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.28 [O-][n+]1cccc(c1)OCCCS f5e3091833c47bc8813c637e90f72ce4 [0,2,0,0,0,0|1,1,0]=4 7248 B12R1.28 [O-][n+]1ccnc(c1)NCCCO 7ebc10f663d3a02583974b1a346d2dff [0,2,0,0,0,0|2,0,0]=4 7249 B12R1.50 CC(CO)Nc1cc(ccn1)Br 2db262ee0de2e007f8a5dec2eb9292a5 [0,2,0,0,0,0|2,0,0]=4 7250 B12R1.50 CC(CO)Nc1cc(ccn1)Cl 6b823c91ff296c296a64a30b8f5b3e62 [0,2,0,0,0,0|2,0,0]=4 7251 B12R1.50 CC(CO)Nc1cc(ccn1)F 62e1b4be9c844ddeeed8f04265df3073 [0,2,0,0,0,0|2,0,0]=4 7252 B12R1.50 CC(CO)Nc1cc(ccn1)I 5660c296509b0f04f2a652236d75a831 [0,2,0,0,0,0|2,0,0]=4 7253 B12R1.50 CC(CO)Nc1cc[nH]c(=S)c1 ab9922629ae5f6878290baa4fa5c137e [0,2,0,0,0,0|2,0,0]=4 7254 B12R1.50 CC(CO)Nc1cccc(c1)Br 576ec4f6677be1f0394edeaf258b38fe [0,2,0,0,0,0|1,0,0]=3 7255 B12R1.50 CC(CO)Nc1cccc(c1)Cl bd22220cbe1e26dbecd73c43bc0875f8 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.50 CC(CO)Nc1cccc(c1)F 61b69c3784d43bb9b9681ef8141ee922 [0,2,0,0,0,0|1,0,0]=3 7257 B12R1.50 CC(CO)Nc1cccc(c1)I 6634a846fe603d296254a7ec9e7b692c [0,2,0,0,0,0|1,0,0]=3 7258 B12R1.50 CC(CO)Nc1cccc(n1)I 31b2740522a5abc0b28216a96a08f828 [0,2,0,0,0,0|2,0,0]=4 7259 B12R1.50 CC(CO)Nc1ccnc(c1)Br 4ca01050bdcb1d13ec38353364a49280 [0,2,0,0,0,0|2,0,0]=4 7260 B12R1.50 CC(CO)Nc1ccnc(c1)Cl bd274ba12ef1ab2e584cacd15d1af4e3 [0,2,0,0,0,0|2,0,0]=4 7261 B12R1.50 CC(CO)Nc1ccnc(c1)F 74ef6597f750eb0da3175b3242f8907b [0,2,0,0,0,0|2,0,0]=4 7262 B12R1.50 CC(CO)Nc1ccnc(c1)I b92810927a9d85f2a94eab6ab4ce8138 [0,2,0,0,0,0|2,0,0]=4 7263 B12R1.50 CC(CO)Nc1cncc(c1)Br 35101df469554e4f4e3dccffffcd7598 [0,2,0,0,0,0|2,0,0]=4 7264 B12R1.50 CC(CO)Nc1cncc(c1)Cl 9cd6dd7ce678ed3c9777339923035391 [0,2,0,0,0,0|2,0,0]=4 7265 B12R1.50 CC(CO)Nc1cncc(c1)F bce7a232ec681d20b05074d852fdb4d3 [0,2,0,0,0,0|2,0,0]=4 7266 B12R1.50 CC(CO)Nc1cncc(c1)I 82f9a79820c9539597abe5327cff4234 [0,2,0,0,0,0|2,0,0]=4 7267 B12R1.50 CCC(C)Nc1cccc(c1)Br 1d66578ce06ff9734ac9091e085e6a07 [0,2,0,0,0,0|2,0,0]=4 7268 B12R1.50 CCC(C)Nc1cccc(c1)C d7cf6e3b62030f874de6f1eb9d16cf4f [0,2,0,0,0,0|2,0,0]=4 7269 B12R1.50 CCC(C)Nc1cccc(c1)Cl 08bdcd143bf3141bf35886f1a7a48241 [0,2,0,0,0,0|2,0,0]=4 7270 B12R1.50 CCC(C)Nc1cccc(c1)F abc1ee7f668b8358dc6ca8fd4a50a6d5 [0,2,0,0,0,0|2,0,0]=4 7271 B12R1.50 CCC(C)Nc1cccc(c1)I bc6d04f9805b80597b81c6888c542900 [0,2,0,0,0,0|2,0,0]=4 7272 B12R1.50 CCC(C)Nc1cccc(c1)S 2cd18a9ced79be6a90be5bf41232bef9 [0,2,0,0,0,0|2,0,0]=4 7273 B12R1.50 CCC(C)Oc1cccc(c1)Br 11f5b596601cd571c59ff2afebc8ce7a [0,2,0,0,0,0|2,0,0]=4 7274 B12R1.50 CCC(C)Oc1cccc(c1)C 9cbbc47209d16c8e877df0d39e5bcab2 [0,2,0,0,0,0|2,0,0]=4 7275 B12R1.50 CCC(C)Oc1cccc(c1)Cl 3dfa34a86dfbb1225b2fc77d38aaa045 [0,2,0,0,0,0|2,0,0]=4 7276 B12R1.50 CCC(C)Oc1cccc(c1)F 11c1cebedbe6e61c8d433bebe0c72b96 [0,2,0,0,0,0|2,0,0]=4 7277 B12R1.50 CCC(C)Oc1cccc(c1)I 7ed5e0b105802053e06ca681572fa199 [0,2,0,0,0,0|2,0,0]=4 7278 B12R1.50 CCC(C)Oc1cccc(c1)S 4218a788a21d0fc160d2648a272c1309 [0,2,0,0,0,0|2,0,0]=4 7279 B12R1.50 CCN(C)Cc1cccc(c1)Br 0cfb611857c5cb7cc30f39c3873140b0 [0,2,0,0,0,0|2,0,0]=4 7280 B12R1.50 CCN(C)Cc1cccc(c1)C 53ad3a118e4ee122b8b7018696871a03 [0,2,0,0,0,0|2,0,0]=4 7281 B12R1.50 CCN(C)Cc1cccc(c1)Cl e6a716bb03372171d841e30f8f33fb19 [0,2,0,0,0,0|2,0,0]=4 7282 B12R1.50 CCN(C)Cc1cccc(c1)F f82e676ee923805ac44e861b9bf86187 [0,2,0,0,0,0|2,0,0]=4 7283 B12R1.50 CCN(C)Cc1cccc(c1)I e43924ee04038b2970f0d94ad73ebdd0 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.50 CC[C@@H](C)Nc1cccc(c1)C 45d939f81c7b7d38cc39ca453cc6d8b9 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.50 CC[C@H](C)Nc1cccc(c1)C 5181036d0ad680b57bb138220216ae0c [0,2,0,0,0,0|2,0,0]=4 7286 B12R1.50 CN(CF)Cc1cccc(c1)Br 6775fcdab4ed66eef72cf962bfbcd2bd [0,2,0,0,0,0|2,0,0]=4 7287 B12R1.50 CN(CF)Cc1cccc(c1)Cl 47b8e773794dda913d7489d774847e23 [0,2,0,0,0,0|2,0,0]=4 7288 B12R1.50 CN(CF)Cc1cccc(c1)F fddef7f62e811634383c4be44d3ad4c2 [0,2,0,0,0,0|2,0,0]=4 7289 B12R1.50 CN(CF)Cc1cccc(c1)I ba46f25f84a9adbaee66606d056f8d9f [0,2,0,0,0,0|2,0,0]=4 7290 B12R1.50 CN(CO)Cc1cc(ccn1)Cl f11bb6e783514016814a663278294af9 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.50 CN(CO)Cc1cccc(c1)Br 598209607c72aa6d8108b132f4b46d7e [0,2,0,0,0,0|1,0,0]=3 7292 B12R1.50 CN(CO)Cc1cccc(c1)Cl 2945da4e469cee97956e9210dfcdfe64 [0,2,0,0,0,0|1,0,0]=3 7293 B12R1.50 CN(CO)Cc1cccc(c1)F 6a7f560609911b9b7b05731cdc2a168a [0,2,0,0,0,0|1,0,0]=3 7294 B12R1.50 CN(CO)Cc1cccc(c1)I f120238df6abba66af1a68aaee18110e [0,2,0,0,0,0|1,0,0]=3 7295 B12R1.50 CN(CO)Cc1cccc(n1)Br d3ae22e02e1855166dd2fa95834d7f8b [0,2,0,0,0,0|2,0,0]=4 7296 B12R1.50 CN(CO)Cc1ccnc(c1)Cl d5842e04c212e2e82ae691ce06d9edcd [0,2,0,0,0,0|2,0,0]=4 7297 B12R1.50 CN(CO)Cc1cncc(c1)Br a467f8629329981ef63f4f9197d99585 [0,2,0,0,0,0|2,0,0]=4 7298 B12R1.50 CN(CO)Cc1cncc(c1)F 7dfc2157dd910fa7b10494199d8c11bc [0,2,0,0,0,0|2,0,0]=4 7299 B12R1.50 C[C@@H](CO)Nc1cc(ccn1)Br ad61851c051c125d5694d6a575c498ad [0,2,0,0,0,0|2,0,0]=4 7300 B12R1.50 C[C@@H](CO)Nc1cc(ccn1)F b5b2f8636267af7c9663189207d797c9 [0,2,0,0,0,0|2,0,0]=4 7301 B12R1.50 C[C@@H](CO)Nc1cc(ccn1)I 32f7d49c7fdb0f6ee00927febb40e03c [0,2,0,0,0,0|2,0,0]=4 7302 B12R1.50 C[C@@H](CO)Nc1cc[nH]c(=S)c1 83087698439216ddbf013aecc7de49d6 [0,2,0,0,0,0|2,0,0]=4 7303 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Br e12c135b7138e7c817f229b4b8639d64 [0,2,0,0,0,0|1,0,0]=3 7304 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Cl b6aa20cbf8f24853667a022c40a8057e [0,2,0,0,0,0|1,0,0]=3 7305 B12R1.50 C[C@@H](CO)Nc1cccc(c1)F c93de07c16abf3a73ffced01d0a7bfc9 [0,2,0,0,0,0|1,0,0]=3 7306 B12R1.50 C[C@@H](CO)Nc1cccc(c1)I 63762b133b4c8dcbd72ab2f4bdb23f98 [0,2,0,0,0,0|1,0,0]=3 7307 B12R1.50 C[C@@H](CO)Nc1ccnc(c1)Br bb58d96af3bce423c93af1e19272e820 [0,2,0,0,0,0|2,0,0]=4 7308 B12R1.50 C[C@@H](CO)Nc1ccnc(c1)Cl 0f3a6c1c87562e3cffc82f4c2ced67f5 [0,2,0,0,0,0|2,0,0]=4 7309 B12R1.50 C[C@@H](CO)Nc1ccnc(c1)F dab6bd86fdc403c75d5277ad94aa75a5 [0,2,0,0,0,0|2,0,0]=4 7310 B12R1.50 C[C@@H](CO)Nc1ccnc(c1)I c1df10b1f0783445f904e00e661f8245 [0,2,0,0,0,0|2,0,0]=4 7311 B12R1.50 C[C@@H](CO)Nc1cncc(c1)Br 2c0a4f9edab83f035549f092863a7a06 [0,2,0,0,0,0|2,0,0]=4 7312 B12R1.50 C[C@@H](CO)Nc1cncc(c1)Cl bba7a81e53611335195b3c14cb4a3c79 [0,2,0,0,0,0|2,0,0]=4 7313 B12R1.50 C[C@@H](CO)Nc1cncc(c1)F b1958567279506ec38d63307d2a97d8a [0,2,0,0,0,0|2,0,0]=4 7314 B12R1.50 C[C@@H](CO)Nc1cncc(c1)I 9f3f266bfef0f259410d5b43cf657169 [0,2,0,0,0,0|2,0,0]=4 7315 B12R1.50 C[C@H](CO)Nc1cc(ccn1)Br d99999c237948d766fb7d5fdc8e6adbc [0,2,0,0,0,0|2,0,0]=4 7316 B12R1.50 C[C@H](CO)Nc1cc(ccn1)F d90d1d34a7312c3add16362237114a7f [0,2,0,0,0,0|2,0,0]=4 7317 B12R1.50 C[C@H](CO)Nc1cc(ccn1)I d7fb66eb22eb6d55215ed51cece958c1 [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.50 C[C@H](CO)Nc1cc[nH]c(=S)c1 857be84da7963d963226818a366cd801 [0,2,0,0,0,0|2,0,0]=4 7319 B12R1.50 C[C@H](CO)Nc1cccc(c1)Br caa603dbf3d611872408e6a5a99c2208 [0,2,0,0,0,0|1,0,0]=3 7320 B12R1.50 C[C@H](CO)Nc1cccc(c1)Cl d80340fe9b92189a6899bc5d360147f0 [0,2,0,0,0,0|1,0,0]=3 7321 B12R1.50 C[C@H](CO)Nc1cccc(c1)F 8c3d08c899d303dc21916719c2ded833 [0,2,0,0,0,0|1,0,0]=3 7322 B12R1.50 C[C@H](CO)Nc1cccc(c1)I e332daa1e085ab96b6afa02650eceef0 [0,2,0,0,0,0|1,0,0]=3 7323 B12R1.50 C[C@H](CO)Nc1ccnc(c1)Br 734b74ac500fe54e9734862a91066ceb [0,2,0,0,0,0|2,0,0]=4 7324 B12R1.50 C[C@H](CO)Nc1ccnc(c1)Cl 4739a4fb977c2de6a7df25c67fe250b2 [0,2,0,0,0,0|2,0,0]=4 7325 B12R1.50 C[C@H](CO)Nc1ccnc(c1)F 856eb7184b84c5f208a53d2f32f39adf [0,2,0,0,0,0|2,0,0]=4 7326 B12R1.50 C[C@H](CO)Nc1ccnc(c1)I 2e6ea6a287c6113fb422f73eef8a2056 [0,2,0,0,0,0|2,0,0]=4 7327 B12R1.50 C[C@H](CO)Nc1cncc(c1)Br ade9b85c451a03158ed181312036d6fc [0,2,0,0,0,0|2,0,0]=4 7328 B12R1.50 C[C@H](CO)Nc1cncc(c1)Cl f0064f0121e93ff558e0e513bf24b5c0 [0,2,0,0,0,0|2,0,0]=4 7329 B12R1.50 C[C@H](CO)Nc1cncc(c1)F 25251bdf059cd98bede35bc957def282 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.50 C[C@H](CO)Nc1cncc(c1)I 93b02cec2b28c25913d991da4ccee97e [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.50 Cc1cc(ccn1)CN(C)CO 21067f1742b5627052525269440d9336 [0,2,0,0,0,0|2,0,0]=4 7332 B12R1.50 Cc1cc(ccn1)NC(C)CO 2ac4636e4bbc1085e4fc56d2304387de [0,2,0,0,0,0|2,0,0]=4 7333 B12R1.50 Cc1cc(ccn1)N[C@@H](C)CO e23eb371aeb3e72e31f73352402809b8 [0,2,0,0,0,0|2,0,0]=4 7334 B12R1.50 Cc1cc(ccn1)N[C@H](C)CO 7269fb2696030224225b518a6c2af004 [0,2,0,0,0,0|2,0,0]=4 7335 B12R1.50 Cc1cccc(c1)CN(C)CF 609d411a38c58a3e2228564e503d49d3 [0,2,0,0,0,0|2,0,0]=4 7336 B12R1.50 Cc1cccc(c1)CN(C)CO 9ce835e7a7f8a76d68ac785fdcc22b43 [0,2,0,0,0,0|1,0,0]=3 7337 B12R1.50 Cc1cccc(c1)NC(C)CO c23f82ac252bf3ee5441826bde19dba5 [0,2,0,0,0,0|1,0,0]=3 7338 B12R1.50 Cc1cccc(c1)N[C@@H](C)CO b575cd99ac56e48b2608cbaccd98fff4 [0,2,0,0,0,0|1,0,0]=3 7339 B12R1.50 Cc1cccc(c1)N[C@H](C)CO 8c38b6b94b7f7840ff18f43638e4f1b0 [0,2,0,0,0,0|1,0,0]=3 7340 B12R1.50 Cc1cccc(n1)CN(C)CO 8bd5bb4e8b9ae489a1030c646b528e3a [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.50 Cc1cccc(n1)NC(C)CO 45bab502bddd24a4fe806c81b040a3c6 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.50 Cc1ccnc(c1)CN(C)CO e7b9333f2a8ba87271a9d6bb4164b7c9 [0,2,0,0,0,0|2,0,0]=4 7343 B12R1.50 Cc1ccnc(c1)NC(C)CO e96b903edfe1b8f4df8295dcfd62c601 [0,2,0,0,0,0|2,0,0]=4 7344 B12R1.50 Cc1ccnc(c1)N[C@@H](C)CO 5fafaaeda45da0ad3cefa424d4e6e230 [0,2,0,0,0,0|2,0,0]=4 7345 B12R1.50 Cc1ccnc(c1)N[C@H](C)CO 2323fcbf1c7dc53f44ee76c516b12bc5 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.50 Cc1cncc(c1)NC(C)CO ef6faecefc32627c2a505f235efd3f9d [0,2,0,0,0,0|2,0,0]=4 7347 B12R1.50 Cc1cncc(c1)N[C@@H](C)CO d4eba8ee68b5a8f0739a160b2c450602 [0,2,0,0,0,0|2,0,0]=4 7348 B12R1.50 Cc1cncc(c1)N[C@H](C)CO 7b0f504278d2e19e98afab563e91dd77 [0,2,0,0,0,0|2,0,0]=4 7349 B12R1.50 O=C(CO)Nc1cccc(c1)I b9f53ca927845b9cf845279d5be47e9f [0,2,0,0,0,0|1,0,1]=4 7350 B12R1.100 CCCNc1cc(cc(c1)Br)Br 04ffd172ce38774d6bdadd5b6d29b581 [0,2,0,0,0,0|2,0,0]=4 7351 B12R1.100 CCCNc1cc(cc(c1)Br)C 04dab09ca4c3e308e1067188395e8c4e [0,2,0,0,0,0|2,0,0]=4 7352 B12R1.100 CCCNc1cc(cc(c1)Br)Cl 67f0c7e94d3f650cef72b70b7258cab3 [0,2,0,0,0,0|2,0,0]=4 7353 B12R1.100 CCCNc1cc(cc(c1)Br)F daf7408b5535aa80c58eab99dcfa46d0 [0,2,0,0,0,0|2,0,0]=4 7354 B12R1.100 CCCNc1cc(cc(c1)C)C 1fe2c852be043d834883fd91d1697918 [0,2,0,0,0,0|2,0,0]=4 7355 B12R1.100 CCCNc1cc(cc(c1)Cl)C a92562a5c296ad462a3f553259287ec4 [0,2,0,0,0,0|2,0,0]=4 7356 B12R1.100 CCCNc1cc(cc(c1)Cl)Cl 602cb0699dcbddb8031059a7679bef8c [0,2,0,0,0,0|2,0,0]=4 7357 B12R1.100 CCCNc1cc(cc(c1)Cl)F ef26ea131d87df22eb8c5d6647486b4f [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.100 CCCNc1cc(cc(c1)F)C 0c81ed2559673e164ddf34a06ca0db2b [0,2,0,0,0,0|2,0,0]=4 7359 B12R1.100 CCCNc1cc(cc(c1)F)F cd77b43574e3ee91b6aca770a8630233 [0,2,0,0,0,0|2,0,0]=4 7360 B12R1.100 CCCNc1cc(cc(c1)I)Br 1b77d8d6ce1ae34fd7f3cffffeed1785 [0,2,0,0,0,0|2,0,0]=4 7361 B12R1.100 CCCNc1cc(cc(c1)I)C ba1431da73e99f43206ddde0f84e8354 [0,2,0,0,0,0|2,0,0]=4 7362 B12R1.100 CCCNc1cc(cc(c1)I)Cl 7df42e1919cde1e3e020f97bb9617289 [0,2,0,0,0,0|2,0,0]=4 7363 B12R1.100 CCCNc1cc(cc(c1)I)F fb6ba4a6ffd11a0695ffd2fe0c963029 [0,2,0,0,0,0|2,0,0]=4 7364 B12R1.100 CCCNc1cc(cc(c1)I)I fc9cd2cec022ebd024446d3796757ba6 [0,2,0,0,0,0|2,0,0]=4 7365 B12R1.100 CCCNc1cc(cc(c1)S)F aedde32b77d7ef57a08fdf1112685f5b [0,2,0,0,0,0|2,0,0]=4 7366 B12R1.100 CCCOc1cc(cc(c1)Br)Br 863e83c62c2f8f7986d9fa0f361733eb [0,2,0,0,0,0|2,0,0]=4 7367 B12R1.100 CCCOc1cc(cc(c1)Br)C 2903e9f96f84f419dfd033ffca547c1c [0,2,0,0,0,0|2,0,0]=4 7368 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 3649f5614ffc6c8d21a9329354eb494a [0,2,0,0,0,0|2,0,0]=4 7369 B12R1.100 CCCOc1cc(cc(c1)Br)F 4e01128c4ac526000ae6efc3af0a806f [0,2,0,0,0,0|2,0,0]=4 7370 B12R1.100 CCCOc1cc(cc(c1)C)C 134add496cb9c337d3a40fb8121a4488 [0,2,0,0,0,0|2,0,0]=4 7371 B12R1.100 CCCOc1cc(cc(c1)Cl)C 2e7ebe7964c148149ca5148f123b8956 [0,2,0,0,0,0|2,0,0]=4 7372 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl f86cfe1b94d33b32a8975183a728d95a [0,2,0,0,0,0|2,0,0]=4 7373 B12R1.100 CCCOc1cc(cc(c1)Cl)F af07993dee062fcccb43a2f22555f783 [0,2,0,0,0,0|2,0,0]=4 7374 B12R1.100 CCCOc1cc(cc(c1)F)C 374b08781a5e1cb24854fd3bc0d1b6af [0,2,0,0,0,0|2,0,0]=4 7375 B12R1.100 CCCOc1cc(cc(c1)F)F 8795b0a38109c02dc49af00912040b00 [0,2,0,0,0,0|2,0,0]=4 7376 B12R1.100 CCCOc1cc(cc(c1)I)Br c4359c07b07267dde11907a2db44558f [0,2,0,0,0,0|2,0,0]=4 7377 B12R1.100 CCCOc1cc(cc(c1)I)C 7ca9d693223a2f91815c373955ef3739 [0,2,0,0,0,0|2,0,0]=4 7378 B12R1.100 CCCOc1cc(cc(c1)I)Cl 5d790671d58d00e5a954196ba9bfc690 [0,2,0,0,0,0|2,0,0]=4 7379 B12R1.100 CCCOc1cc(cc(c1)I)F be64c05866ef923a0e213fbcf42bdf56 [0,2,0,0,0,0|2,0,0]=4 7380 B12R1.100 CCNCc1cc(cc(c1)Br)Br 6b348b727fc72aae052ad83343aa1584 [0,2,0,0,0,0|2,0,0]=4 7381 B12R1.100 CCNCc1cc(cc(c1)Br)C 642a721aca05c20e139770b89150792c [0,2,0,0,0,0|2,0,0]=4 7382 B12R1.100 CCNCc1cc(cc(c1)Br)Cl df31e6140ad5cf1ffa8d9b10efcaf13b [0,2,0,0,0,0|2,0,0]=4 7383 B12R1.100 CCNCc1cc(cc(c1)Br)F 76c42562a71200fc821d0ecbf2e7620e [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.100 CCNCc1cc(cc(c1)C)C 1b4b6106416b3fe5470c41cb0b87dae2 [0,2,0,0,0,0|2,0,0]=4 7385 B12R1.100 CCNCc1cc(cc(c1)Cl)C 10b24f0f962b22d37dac720a931411e2 [0,2,0,0,0,0|2,0,0]=4 7386 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 1d0da723067a8afc95d2814ea5311a6c [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.100 CCNCc1cc(cc(c1)Cl)F da21231daec75047d11f2da85baff5dc [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.100 CCNCc1cc(cc(c1)F)C 62e77066dff655349908ea6c5bff8351 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.100 CCNCc1cc(cc(c1)F)F 5d364f70ad78bd6d8ffc81399bcdb55c [0,2,0,0,0,0|2,0,0]=4 7390 B12R1.100 CCOCc1cc(cc(c1)Br)Br 1f5ecfd0f2ad6f316450ebae07754e14 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.100 CCOCc1cc(cc(c1)Br)C 01f5f56b538ea7bc2d477c1d711d0c9d [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.100 CCOCc1cc(cc(c1)Br)Cl 19e3564b821f26ed4fc08f1f889a9e38 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.100 CCOCc1cc(cc(c1)Br)F 7d03fa5d75a8a575ac4a1413274fe633 [0,2,0,0,0,0|2,0,0]=4 7394 B12R1.100 CCOCc1cc(cc(c1)C)C c48435aacec65995984bddb5b48de10b [0,2,0,0,0,0|2,0,0]=4 7395 B12R1.100 CCOCc1cc(cc(c1)Cl)C f4329fdded9bcaec588b4fd25937dd83 [0,2,0,0,0,0|2,0,0]=4 7396 B12R1.100 CCOCc1cc(cc(c1)Cl)Cl add5612dc24387378182d9c18ac31630 [0,2,0,0,0,0|2,0,0]=4 7397 B12R1.100 CCOCc1cc(cc(c1)Cl)F 4ba7f732a9b04ade87875d4f054866ce [0,2,0,0,0,0|2,0,0]=4 7398 B12R1.100 CCOCc1cc(cc(c1)F)C 12b3c4e02bef889f60d5f11ea82f6bb7 [0,2,0,0,0,0|2,0,0]=4 7399 B12R1.100 CCOCc1cc(cc(c1)F)F 8691f1f8d5567a5de21e4068f4b425ff [0,2,0,0,0,0|2,0,0]=4 7400 B12R1.100 CCOCc1cc(cc(c1)I)Br 4e7ab607768544b91453b3315f8a2be7 [0,2,0,0,0,0|2,0,0]=4 7401 B12R1.100 CCOCc1cc(cc(c1)I)C 1f327318a6da35a92e975ae23d419ad7 [0,2,0,0,0,0|2,0,0]=4 7402 B12R1.100 CCOCc1cc(cc(c1)I)Cl 9c97b005035fab639fd68c322aa80992 [0,2,0,0,0,0|2,0,0]=4 7403 B12R1.100 CCOCc1cc(cc(c1)I)F 3da8b2d2efe1c0f5eb3a9880f5ddba56 [0,2,0,0,0,0|2,0,0]=4 7404 B12R1.100 CCOCc1cc(cc(c1)I)I 1ba71f8cf73d213f2e42a4cc7a05e4ab [0,2,0,0,0,0|2,0,0]=4 7405 B12R1.100 Cc1cc(cc(=O)o1)NCCO eeefb1e4966f513504c5d40ea9b92f86 [0,2,0,0,0,0|2,0,0]=4 7406 B12R1.100 Cc1cc(cc(c1)CNCF)Br 255d715441d82eddd1b3214553605161 [0,2,0,0,0,0|2,0,0]=4 7407 B12R1.100 Cc1cc(cc(c1)CNCF)C 593923ffb799704e96dd0f66214c312a [0,2,0,0,0,0|2,0,0]=4 7408 B12R1.100 Cc1cc(cc(c1)CNCF)Cl c947c42569396cbc8ba334674ff0d808 [0,2,0,0,0,0|2,0,0]=4 7409 B12R1.100 Cc1cc(cc(c1)CNCF)F 554c310fc4e31e41eb78ea41d06ba427 [0,2,0,0,0,0|2,0,0]=4 7410 B12R1.100 Cc1cc(cc(c1)CNCO)Br 0be5c78f46c15109c3f1ba92a0463d14 [0,2,0,0,0,0|1,0,0]=3 7411 B12R1.100 Cc1cc(cc(c1)CNCO)C c1c38cbfcd056789c6ba8ebf5e0de443 [0,2,0,0,0,0|1,0,0]=3 7412 B12R1.100 Cc1cc(cc(c1)CNCO)Cl bce28101bf033dffc2c88fbe6cf248b7 [0,2,0,0,0,0|1,0,0]=3 7413 B12R1.100 Cc1cc(cc(c1)CNCO)F 87a5d6f7916cdb2444cc9487c607b382 [0,2,0,0,0,0|1,0,0]=3 7414 B12R1.100 Cc1cc(cc(c1)COCF)Br 6cf5ec2b1154708ff50ed3443f99b7ca [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.100 Cc1cc(cc(c1)COCF)C f6ca9b7fa7a800350f7fd33bcb711ab7 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.100 Cc1cc(cc(c1)COCF)Cl cdfef85265433399d6f5410ca6042fff [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.100 Cc1cc(cc(c1)COCF)F c881fe6fc137b9b03b4cf11ededea718 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.100 Cc1cc(cc(c1)COCF)I 644fee82ce60f5f0c078bd3971bc66bf [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.100 Cc1cc(cc(c1)NCCF)Br 6e794e348cd4adb7f7152ccfef67d6ce [0,2,0,0,0,0|2,0,0]=4 7420 B12R1.100 Cc1cc(cc(c1)NCCF)C 6d5e6ddba979605e6aac99bd0ec4324e [0,2,0,0,0,0|2,0,0]=4 7421 B12R1.100 Cc1cc(cc(c1)NCCF)Cl 0249b3d66f99d8bb3f6d07aaaef13f44 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.100 Cc1cc(cc(c1)NCCF)F eac91228c06a85fbf8f0ee4e7b8f0906 [0,2,0,0,0,0|2,0,0]=4 7423 B12R1.100 Cc1cc(cc(c1)NCCF)I 81af59ad56a9d5e538c4571f5ef948c8 [0,2,0,0,0,0|2,0,0]=4 7424 B12R1.100 Cc1cc(cc(c1)NCCI)C 62a0883bed0832a1f25ff78a72f25b15 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.100 Cc1cc(cc(c1)NCCI)F 7a73709eabb7b82d9c86ed2d2a84ad5f [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.100 Cc1cc(cc(c1)NCCO)Br 476bf62e98cda701d1cff88dad3452aa [0,2,0,0,0,0|1,0,0]=3 7427 B12R1.100 Cc1cc(cc(c1)NCCO)C 316aafdfdbd98e73e184cdfc7f396f0c [0,2,0,0,0,0|1,0,0]=3 7428 B12R1.100 Cc1cc(cc(c1)NCCO)Cl 9270e7544a126a15cd48da2bc6e906f7 [0,2,0,0,0,0|1,0,0]=3 7429 B12R1.100 Cc1cc(cc(c1)NCCO)F b65dcfa2357cd81ebf8a431b2eaf5617 [0,2,0,0,0,0|1,0,0]=3 7430 B12R1.100 Cc1cc(cc(c1)NCCO)I 359587f08598d6fdd0a974269d95d232 [0,2,0,0,0,0|1,0,0]=3 7431 B12R1.100 Cc1cc(cc(c1)NCCS)Br 3ce1b04e5bb4be641b40e8c62baec9b2 [0,2,0,0,0,0|1,1,0]=4 7432 B12R1.100 Cc1cc(cc(c1)NCCS)C 2039e7e124a5eb23b326787c7bef5627 [0,2,0,0,0,0|1,1,0]=4 7433 B12R1.100 Cc1cc(cc(c1)NCCS)Cl 2c07cc952cbed2bb33f2b48d7a6f1fc5 [0,2,0,0,0,0|1,1,0]=4 7434 B12R1.100 Cc1cc(cc(c1)NCCS)F af8a8e79cf86b40bd250d34739b8d04d [0,2,0,0,0,0|1,1,0]=4 7435 B12R1.100 Cc1cc(cc(c1)NCCS)I f8182e048f2a91b6ab0efa27cff51d5e [0,2,0,0,0,0|1,1,0]=4 7436 B12R1.100 Cc1cc(cc(c1)OCCF)Br f997a38fbccbe939c098ba98b67dd334 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.100 Cc1cc(cc(c1)OCCF)C 3dbf4a7a0b3b0b114c37b1d954f72a45 [0,2,0,0,0,0|2,0,0]=4 7438 B12R1.100 Cc1cc(cc(c1)OCCF)Cl fdadea7b5832710278d01b8ca59abca5 [0,2,0,0,0,0|2,0,0]=4 7439 B12R1.100 Cc1cc(cc(c1)OCCF)F 1589cdcf3d306dd960ece4259bfd910f [0,2,0,0,0,0|2,0,0]=4 7440 B12R1.100 Cc1cc(cc(c1)OCCF)I 4e0a24acd311a7196266d7d11eee4d42 [0,2,0,0,0,0|2,0,0]=4 7441 B12R1.100 Cc1cc(cc(c1)OCCS)Br be200df3654c44f6dda86aab85a736b4 [0,2,0,0,0,0|1,1,0]=4 7442 B12R1.100 Cc1cc(cc(c1)OCCS)C 666ab665fd0e6ee8415db612d38befad [0,2,0,0,0,0|1,1,0]=4 7443 B12R1.100 Cc1cc(cc(c1)OCCS)Cl 9c7d8a695cd9bd2cef9cbc99b969d91a [0,2,0,0,0,0|1,1,0]=4 7444 B12R1.100 Cc1cc(cc(c1)OCCS)F 9a03e175de861b6d6cd9b4e092d21cb0 [0,2,0,0,0,0|1,1,0]=4 7445 B12R1.100 Cc1cc(cc(c1)OCCS)I 37585ab0b0d7b9bbcafde7efc82d9465 [0,2,0,0,0,0|1,1,0]=4 7446 B12R1.100 Cc1cc(cc(n1)Br)CNCO 5e5328977a294779f927a4d2e5a717ab [0,2,0,0,0,0|2,0,0]=4 7447 B12R1.100 Cc1cc(cc(n1)Br)NCCO fd6159fad990de5a479e4e65b2731568 [0,2,0,0,0,0|2,0,0]=4 7448 B12R1.100 Cc1cc(cc(n1)C)CNCO c8fff97eaea58d2c5f0a8182571d5373 [0,2,0,0,0,0|2,0,0]=4 7449 B12R1.100 Cc1cc(cc(n1)C)NCCO db0af44c2091d2ae3858d167dc762671 [0,2,0,0,0,0|2,0,0]=4 7450 B12R1.100 Cc1cc(cc(n1)CNCO)Br 918445a075448b6397f6ee79f7114d51 [0,2,0,0,0,0|2,0,0]=4 7451 B12R1.100 Cc1cc(cc(n1)Cl)NCCO 012c4988c9a13e151b6f8a97181743b2 [0,2,0,0,0,0|2,0,0]=4 7452 B12R1.100 Cc1cc(cc(n1)F)NCCO d8094db21e7f76909e0acd9c1179af61 [0,2,0,0,0,0|2,0,0]=4 7453 B12R1.100 Cc1cc(nc(c1)NCCO)Br fb4ad557057fcc91039110d34524b50f [0,2,0,0,0,0|2,0,0]=4 7454 B12R1.100 Cc1cc(nc(c1)NCCO)C 7b22fc25612ce1eb56c05709b71cc12c [0,2,0,0,0,0|2,0,0]=4 7455 B12R1.100 Cc1cc(nc(c1)NCCO)Cl af1b2492c6fcc5c2c7b8c7c56dd72eb0 [0,2,0,0,0,0|2,0,0]=4 7456 B12R1.100 Cc1cc(nc(c1)NCCO)F ae75c227836232a83db916dfa1abbf50 [0,2,0,0,0,0|2,0,0]=4 7457 B12R1.100 FCCNc1cc(cc(c1)Br)Br 2b9c4aebc879824ed688c5c6b72c6ade [0,2,0,0,0,0|2,0,0]=4 7458 B12R1.100 FCCNc1cc(cc(c1)Br)Cl 13911af53d52c13896e799941b055a51 [0,2,0,0,0,0|2,0,0]=4 7459 B12R1.100 FCCNc1cc(cc(c1)Br)F 7cb8febc8c57c45a8565b307ce1a906c [0,2,0,0,0,0|2,0,0]=4 7460 B12R1.100 FCCNc1cc(cc(c1)Cl)Cl 0047eaea135862ab1a8bc9b2a5be18ae [0,2,0,0,0,0|2,0,0]=4 7461 B12R1.100 FCCNc1cc(cc(c1)Cl)F 7488662599e923bfcabb59960b7692fa [0,2,0,0,0,0|2,0,0]=4 7462 B12R1.100 FCCNc1cc(cc(c1)F)F b8ab82042782581e79006405dc8c3905 [0,2,0,0,0,0|2,0,0]=4 7463 B12R1.100 FCCNc1cc(cc(c1)I)Br e50f8043d8c422cbfa32678459021cb2 [0,2,0,0,0,0|2,0,0]=4 7464 B12R1.100 FCCNc1cc(cc(c1)I)Cl 895357bb3e0fdc90c0bb3665d7866b2a [0,2,0,0,0,0|2,0,0]=4 7465 B12R1.100 FCCNc1cc(cc(c1)I)F c7572489b18ad66676c08bd5290adb1b [0,2,0,0,0,0|2,0,0]=4 7466 B12R1.100 FCCNc1cc(cc(c1)I)I 64192d6859eacc1592e23b4715921985 [0,2,0,0,0,0|2,0,0]=4 7467 B12R1.100 FCCOc1cc(cc(c1)Br)Br 01827c49389ce258fa855b2a21395392 [0,2,0,0,0,0|2,0,0]=4 7468 B12R1.100 FCCOc1cc(cc(c1)Br)Cl a7eb88f7dab77b607e9b61bc135effd7 [0,2,0,0,0,0|2,0,0]=4 7469 B12R1.100 FCCOc1cc(cc(c1)Br)F 2ba036d0db86966f9ab40e11c53e8cb7 [0,2,0,0,0,0|2,0,0]=4 7470 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl d5b5b3ded9ec312d41c2b4949b4cca1a [0,2,0,0,0,0|2,0,0]=4 7471 B12R1.100 FCCOc1cc(cc(c1)Cl)F 2fa61cb973a92888d2d4011dbaac5e33 [0,2,0,0,0,0|2,0,0]=4 7472 B12R1.100 FCCOc1cc(cc(c1)F)F 6d15d5d63db68b1062e0616fc29b4ab3 [0,2,0,0,0,0|2,0,0]=4 7473 B12R1.100 FCCOc1cc(cc(c1)I)Br e6e92d1f8b762452d87b92a12c30acec [0,2,0,0,0,0|2,0,0]=4 7474 B12R1.100 FCCOc1cc(cc(c1)I)Cl 72cf13c68792efa29bb07fe135b8e82d [0,2,0,0,0,0|2,0,0]=4 7475 B12R1.100 FCCOc1cc(cc(c1)I)F a18ab72fb5e655c7dd616df79a88ce25 [0,2,0,0,0,0|2,0,0]=4 7476 B12R1.100 FCNCc1cc(cc(c1)Br)Br af40fea3a18f60aed84d701e2bdae2d2 [0,2,0,0,0,0|2,0,0]=4 7477 B12R1.100 FCNCc1cc(cc(c1)Br)Cl 5bfb22bea493d5c1a419f38fc228d6ae [0,2,0,0,0,0|2,0,0]=4 7478 B12R1.100 FCNCc1cc(cc(c1)Br)F 15d94fbe221d7da8f48f894cd49f2ef6 [0,2,0,0,0,0|2,0,0]=4 7479 B12R1.100 FCNCc1cc(cc(c1)Cl)Cl b0dc22e38e6edcb234c0d046f08e3180 [0,2,0,0,0,0|2,0,0]=4 7480 B12R1.100 FCNCc1cc(cc(c1)Cl)F 0bfeb922a2c5c0cd57ba384ca93400df [0,2,0,0,0,0|2,0,0]=4 7481 B12R1.100 FCNCc1cc(cc(c1)F)F fd95b3e2ba83eaf85c823c05f207ef26 [0,2,0,0,0,0|2,0,0]=4 7482 B12R1.100 FCOCc1cc(cc(c1)Br)Br 35a434cb683ee382bbb6bb4294404b79 [0,2,0,0,0,0|2,0,0]=4 7483 B12R1.100 FCOCc1cc(cc(c1)Br)Cl 11cae986c71595047d8ec9e34ed7566e [0,2,0,0,0,0|2,0,0]=4 7484 B12R1.100 FCOCc1cc(cc(c1)Br)F a19cfb47a0b58b0d5ea0628c82d6badd [0,2,0,0,0,0|2,0,0]=4 7485 B12R1.100 FCOCc1cc(cc(c1)Cl)Cl 440dbe4dff5d545f3717a2a275052b59 [0,2,0,0,0,0|2,0,0]=4 7486 B12R1.100 FCOCc1cc(cc(c1)Cl)F 5f711c4ad7455f2bae77883c51515d34 [0,2,0,0,0,0|2,0,0]=4 7487 B12R1.100 FCOCc1cc(cc(c1)F)F 6825990264f343b5f833db444b4c8866 [0,2,0,0,0,0|2,0,0]=4 7488 B12R1.100 FCOCc1cc(cc(c1)I)Br 22a4d99785ab4b01ea44685c76d5bff5 [0,2,0,0,0,0|2,0,0]=4 7489 B12R1.100 FCOCc1cc(cc(c1)I)Cl 5950c54d0feacf856d17814815a236d3 [0,2,0,0,0,0|2,0,0]=4 7490 B12R1.100 FCOCc1cc(cc(c1)I)F 10747697bf1ca886942a0359b365e52f [0,2,0,0,0,0|2,0,0]=4 7491 B12R1.100 FCOCc1cc(cc(c1)I)I 209acc7d1051f5bcb3cf8f1a978dcdbf [0,2,0,0,0,0|2,0,0]=4 7492 B12R1.100 Fc1cc(cc(c1)NCCBr)S 019bb7c5d9ab78091b715e7d2ed4c234 [0,2,0,0,0,0|2,0,0]=4 7493 B12R1.100 Fc1cc(cc(c1)NCCI)F 509c8cae53fc4c10ea2a9e151079a94f [0,2,0,0,0,0|2,0,0]=4 7494 B12R1.100 Fc1cc(cc(c1)NCCI)S 65316b8501c5c1e1eaabbb10cd8559c7 [0,2,0,0,0,0|2,0,0]=4 7495 B12R1.100 Fc1cc(cc(c1)NCCS)Br 52e3a0bce03bb6be91a0eaf626cb69fb [0,2,0,0,0,0|1,1,0]=4 7496 B12R1.100 Fc1cc(cc(c1)NCCS)Cl 2777a8c501046c671c6686cf3387b322 [0,2,0,0,0,0|1,1,0]=4 7497 B12R1.100 Fc1cc(cc(c1)NCCS)F c0a9299d679fe1032051b470cda389de [0,2,0,0,0,0|1,1,0]=4 7498 B12R1.100 Fc1cc(cc(c1)NCCS)I 33632f780cd8a19940f3c0e04180139d [0,2,0,0,0,0|1,1,0]=4 7499 B12R1.100 Fc1cc(cc(c1)NCCS)S 71f85f69da54ff9df9b71927b0566087 [0,2,0,0,0,0|1,1,0]=4 7500 B12R1.100 Fc1cc(cc(c1)OCCS)Br 4e84b138516e69dd48ecda36339bf4b2 [0,2,0,0,0,0|1,1,0]=4 7501 B12R1.100 Fc1cc(cc(c1)OCCS)Cl ea485f279ac17eb1cb53b5f988d99a9e [0,2,0,0,0,0|1,1,0]=4 7502 B12R1.100 Fc1cc(cc(c1)OCCS)F 8175e62cf776697e852decd569ef732d [0,2,0,0,0,0|1,1,0]=4 7503 B12R1.100 Fc1cc(cc(c1)OCCS)I 9b651a0eaacf9446668ff052376b1fa2 [0,2,0,0,0,0|1,1,0]=4 7504 B12R1.100 Nc1cc(cc(c1)NCCBr)N 8adc5f2252f45622ceb5e65ebd58bef3 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.100 Nc1cc(cc(c1)NCCI)N 13b9143b89abd6b4ff0702f286e64d7b [0,2,0,0,0,0|2,0,0]=4 7506 B12R1.100 Nc1cc(cc(c1)NCCO)N a64c3f19e7214447153e786bca8e2667 [0,2,0,0,0,0|1,0,0]=3 7507 B12R1.100 Nc1cc(cc(c1)NCCS)N 09689a30a8a1a5de8b7dbae6d434c84c [0,2,0,0,0,0|1,1,0]=4 7508 B12R1.100 Nc1cc(cc(n1)N)NCCO 593d4c535997f3f4423294891e53a7df [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.100 O=c1cc(cc([nH]1)F)NCCO 4bf5eae5b4dd3c7855284dec0f0bed1b [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.100 OCCNc1cc(cc(c1)Br)Br 215bb41f5cb87d68568f26f2683d58da [0,2,0,0,0,0|1,0,0]=3 7511 B12R1.100 OCCNc1cc(cc(c1)Br)Cl 0cce0eb21dbf818fe97f24a7d155fe4d [0,2,0,0,0,0|1,0,0]=3 7512 B12R1.100 OCCNc1cc(cc(c1)Br)F 701823a7c738d6c4a1e7e4e42b2b02f8 [0,2,0,0,0,0|1,0,0]=3 7513 B12R1.100 OCCNc1cc(cc(c1)Cl)Cl 9354e656adad6c2ac281505032e51435 [0,2,0,0,0,0|1,0,0]=3 7514 B12R1.100 OCCNc1cc(cc(c1)Cl)F 65dd092e83cb331513ccc34abb6a6eb0 [0,2,0,0,0,0|1,0,0]=3 7515 B12R1.100 OCCNc1cc(cc(c1)F)F edaf4dabbfc3781629b65a58ab6f26e8 [0,2,0,0,0,0|1,0,0]=3 7516 B12R1.100 OCCNc1cc(cc(c1)I)Br 6c867ef3b565708c00cd463e8ceea6c5 [0,2,0,0,0,0|1,0,0]=3 7517 B12R1.100 OCCNc1cc(cc(c1)I)Cl b4571f99816fd6ad868d3c066144f68d [0,2,0,0,0,0|1,0,0]=3 7518 B12R1.100 OCCNc1cc(cc(c1)I)F 970ff24ec1e8ccf9b6ec16b2a307b991 [0,2,0,0,0,0|1,0,0]=3 7519 B12R1.100 OCCNc1cc(cc(c1)I)I 7bc423ffefaeafd5cfca0b3dafd75ad5 [0,2,0,0,0,0|1,0,0]=3 7520 B12R1.100 OCCNc1cc(cc(c1)S)F 442dedb29f487fadd66e091ae034088e [0,2,0,0,0,0|1,0,0]=3 7521 B12R1.100 OCCNc1cc(cc(n1)Br)Br 3da111ea9b67f34e533aee9780ad8c35 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.100 OCCNc1cc(cc(n1)Br)Cl df9876dad24fa54c2c1aaaeb4b93cd99 [0,2,0,0,0,0|2,0,0]=4 7523 B12R1.100 OCCNc1cc(cc(n1)Cl)Br 6621a03574460113e65eff70e4ff8cb6 [0,2,0,0,0,0|2,0,0]=4 7524 B12R1.100 OCCNc1cc(cc(n1)Cl)Cl 5d359c264e3f83f990c6d4c69ebc5a9d [0,2,0,0,0,0|2,0,0]=4 7525 B12R1.100 OCCNc1cc(cc(n1)Cl)F 103236e4b10eb8399825e6dbc04725db [0,2,0,0,0,0|2,0,0]=4 7526 B12R1.100 OCCNc1cc(cc(n1)Cl)I 3bb8208206b95ed128fdc53e622c1b65 [0,2,0,0,0,0|2,0,0]=4 7527 B12R1.100 OCCNc1cc(cc(n1)F)Br 4a16628bf66edde6ea1db2964f6474c8 [0,2,0,0,0,0|2,0,0]=4 7528 B12R1.100 OCCNc1cc(nc(c1)Br)Br a98c25d5da9f39c38ba65565847377f3 [0,2,0,0,0,0|2,0,0]=4 7529 B12R1.100 OCCNc1cc(nc(c1)Br)Cl 260f9168dd7aad9852ac3ecd9ca06fdb [0,2,0,0,0,0|2,0,0]=4 7530 B12R1.100 OCCNc1cc(nc(c1)Cl)Cl 8755679a7db428ed8c72cc0875cc6ec0 [0,2,0,0,0,0|2,0,0]=4 7531 B12R1.100 OCCNc1cc(nc(c1)Cl)F fdbbcefc9628c512d15ae8af6e02a331 [0,2,0,0,0,0|2,0,0]=4 7532 B12R1.100 OCCNc1cc(nc(c1)F)F 0c3427a61b05f8253af7a74202e2f846 [0,2,0,0,0,0|2,0,0]=4 7533 B12R1.100 OCNCc1cc(cc(c1)Br)Br fd32bba03b1e9276b840240f90590cac [0,2,0,0,0,0|1,0,0]=3 7534 B12R1.100 OCNCc1cc(cc(c1)Br)Cl c822c65febbb8a1b0ece371f7b741462 [0,2,0,0,0,0|1,0,0]=3 7535 B12R1.100 OCNCc1cc(cc(c1)Br)F 379ed17f1f5e6002c3a6d32be2bb7a98 [0,2,0,0,0,0|1,0,0]=3 7536 B12R1.100 OCNCc1cc(cc(c1)Cl)Cl 772429971fe22f2b38a60aa1920fe91c [0,2,0,0,0,0|1,0,0]=3 7537 B12R1.100 OCNCc1cc(cc(c1)Cl)F f9c01c04e891fa0015c663cac340f303 [0,2,0,0,0,0|1,0,0]=3 7538 B12R1.100 OCNCc1cc(cc(c1)F)F 24c94ee22df899ea4df08b8a19f665ef [0,2,0,0,0,0|1,0,0]=3 7539 B12R1.100 OCNCc1cc(cc(n1)Cl)Cl c202f4fd76b68f954c6a514b19e5b6b1 [0,2,0,0,0,0|2,0,0]=4 7540 B12R1.100 OCNCc1cc(nc(c1)Cl)Cl adbc9fce599f7080878b8accf14e9731 [0,2,0,0,0,0|2,0,0]=4 7541 B12R1.100 Oc1cc(cc(c1)NCCS)F 461d45ec2d40dab2b2c0cb311909480f [0,2,0,0,0,0|1,1,0]=4 7542 B12R1.100 Oc1cc(cc(c1)NCCS)O aaa003e59e588eb86d5aaa1bce410040 [0,2,0,0,0,0|1,1,0]=4 7543 B12R1.100 SCCNc1cc(cc(c1)Br)Br 1542d5d221791daf7ed7f948c5e0d5b3 [0,2,0,0,0,0|1,1,0]=4 7544 B12R1.100 SCCNc1cc(cc(c1)Br)Cl d4670bee25d3c331b4e2ee661141fd55 [0,2,0,0,0,0|1,1,0]=4 7545 B12R1.100 SCCNc1cc(cc(c1)Cl)Cl 59193afc8f4b66fe77d97e7b04fd541b [0,2,0,0,0,0|1,1,0]=4 7546 B12R1.100 SCCNc1cc(cc(c1)I)Br eb8a974ae2abc0bf2ba0616e34b13308 [0,2,0,0,0,0|1,1,0]=4 7547 B12R1.100 SCCNc1cc(cc(c1)I)Cl 01ea19656b8fa79631108d48522b666f [0,2,0,0,0,0|1,1,0]=4 7548 B12R1.100 SCCNc1cc(cc(c1)I)I 20214fce00f3aba4010f00ce656091c5 [0,2,0,0,0,0|1,1,0]=4 7549 B12R1.100 SCCNc1cc(cc(c1)S)S e563a2cfb799ee9c8ee6f5c727d172c0 [0,2,0,0,0,0|1,1,0]=4 7550 B12R1.100 SCCOc1cc(cc(c1)Br)Br f94b6a0f97c76f3bb5d46b6b53ae591f [0,2,0,0,0,0|1,1,0]=4 7551 B12R1.100 SCCOc1cc(cc(c1)Br)Cl 1a7c6ba75e702269e0070a3a4f5d5533 [0,2,0,0,0,0|1,1,0]=4 7552 B12R1.100 SCCOc1cc(cc(c1)Cl)Cl 4bbb6762d6827a71c7695fad55ff82b8 [0,2,0,0,0,0|1,1,0]=4 7553 B12R1.100 SCCOc1cc(cc(c1)I)Br f6823b618285634fa266fcaf34404898 [0,2,0,0,0,0|1,1,0]=4 7554 B12R1.100 SCCOc1cc(cc(c1)I)Cl 4d7895e685576ff39f4db290ec6e5aaa [0,2,0,0,0,0|1,1,0]=4 7555 B12R1.226 CC(C)CNc1cccc(c1)Br 47f96ede91384a2957a9f738bcf7cbb7 [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.226 CC(C)CNc1cccc(c1)Cl b77efea477419bad137ef23a5b33cfdb [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.226 CC(C)CNc1cccc(c1)F 4fe892f19d398f74f696f31fe8fec9d4 [0,2,0,0,0,0|2,0,0]=4 7558 B12R1.226 CC(C)CNc1cccc(c1)I a713b158e8d2e866fe5954e27f6736a8 [0,2,0,0,0,0|2,0,0]=4 7559 B12R1.226 CC(C)CNc1cccc(c1)S d8df0c59c2a95482a973f3e4b2ca8288 [0,2,0,0,0,0|2,0,0]=4 7560 B12R1.226 CC(C)COc1cccc(c1)Br 78b9893bdd66fbb7fd676a9f9d9a6b5c [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.226 CC(C)COc1cccc(c1)Cl 17fc81f1248afd3345d318121f9a6be5 [0,2,0,0,0,0|2,0,0]=4 7562 B12R1.226 CC(C)COc1cccc(c1)F 952f6b6f6d9d7e5903334a6085f9ca2b [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.226 CC(C)COc1cccc(c1)I 825de32ad6ba816c4a9b0b15d9f5b09d [0,2,0,0,0,0|2,0,0]=4 7564 B12R1.226 CC(C)COc1cccc(c1)S 1e2cf6d2ce302e2dbeb13d96800a69ca [0,2,0,0,0,0|2,0,0]=4 7565 B12R1.226 CC(C)NCc1cccc(c1)Br 1c3c944c566959e7eef7efc9a8c8251c [0,2,0,0,0,0|2,0,0]=4 7566 B12R1.226 CC(C)NCc1cccc(c1)Cl 9dbc94fad7d16f41b15b3aebc8ca545b [0,2,0,0,0,0|2,0,0]=4 7567 B12R1.226 CC(C)NCc1cccc(c1)F 3787b7b4f5a6fda7587bfa332950191c [0,2,0,0,0,0|2,0,0]=4 7568 B12R1.226 CC(C)NCc1cccc(c1)I d4cf7394a008619606fd5e038404d76e [0,2,0,0,0,0|2,0,0]=4 7569 B12R1.226 CC(C)OCc1cccc(c1)Br 879562350b15275860c09e604131f21c [0,2,0,0,0,0|2,0,0]=4 7570 B12R1.226 CC(C)OCc1cccc(c1)Cl c3629f30972b60636a5bcff8690532c9 [0,2,0,0,0,0|2,0,0]=4 7571 B12R1.226 CC(C)OCc1cccc(c1)F 9a739aed0fdfe4226f0a5132088c54a0 [0,2,0,0,0,0|2,0,0]=4 7572 B12R1.226 CC(C)OCc1cccc(c1)I bf4c5f71e0f6d55a1580b32357b1183d [0,2,0,0,0,0|2,0,0]=4 7573 B12R1.226 CC(O)CNc1cc(ccn1)Br 4eb75113648cbcdd9f085f4cb97ba67f [0,2,0,0,0,0|2,0,0]=4 7574 B12R1.226 CC(O)CNc1cc(ccn1)Cl 2f5be7214cdb8b3e284b1eb1ed5ee7f5 [0,2,0,0,0,0|2,0,0]=4 7575 B12R1.226 CC(O)CNc1cc(ccn1)F 21f5483da5ae45e7d097182623f22a69 [0,2,0,0,0,0|2,0,0]=4 7576 B12R1.226 CC(O)CNc1cc(ccn1)I e88beb584feee4f1bf0fa29e79faf809 [0,2,0,0,0,0|2,0,0]=4 7577 B12R1.226 CC(O)CNc1cc[nH]c(=S)c1 675d40e4efe7cad1b51fee02575cee92 [0,2,0,0,0,0|2,0,0]=4 7578 B12R1.226 CC(O)CNc1cccc(c1)Br 1313cc150d07e3249eb16f742927aba5 [0,2,0,0,0,0|1,0,0]=3 7579 B12R1.226 CC(O)CNc1cccc(c1)Cl b0b36293e53ebea3215e5b365b1c91a1 [0,2,0,0,0,0|1,0,0]=3 7580 B12R1.226 CC(O)CNc1cccc(c1)F 7b51f8f85220316ed6f71fbb6c6e04a1 [0,2,0,0,0,0|1,0,0]=3 7581 B12R1.226 CC(O)CNc1cccc(c1)I e3b39e215b46b137d14817575c01ba24 [0,2,0,0,0,0|1,0,0]=3 7582 B12R1.226 CC(O)CNc1cccc(c1)S 78e49f113d0630c078debe2e470f3646 [0,2,0,0,0,0|1,0,0]=3 7583 B12R1.226 CC(O)CNc1cccc(n1)Br 600a21101ec147af960b049dc357cb45 [0,2,0,0,0,0|2,0,0]=4 7584 B12R1.226 CC(O)CNc1cccc(n1)Cl 6249d33464a0922906315c0826fdb5fa [0,2,0,0,0,0|2,0,0]=4 7585 B12R1.226 CC(O)CNc1cccc(n1)F 1d15f0d9b31cdbefc2079c301be686b8 [0,2,0,0,0,0|2,0,0]=4 7586 B12R1.226 CC(O)CNc1cccc(n1)I 7cc58b0d323c56e7f4787fe1a4fc323f [0,2,0,0,0,0|2,0,0]=4 7587 B12R1.226 CC(O)CNc1ccnc(c1)Br dfd126cba0eb1d2e070d8a03732e582a [0,2,0,0,0,0|2,0,0]=4 7588 B12R1.226 CC(O)CNc1ccnc(c1)Cl b44bac36c5e0c498f5a79e32ffd90ca8 [0,2,0,0,0,0|2,0,0]=4 7589 B12R1.226 CC(O)CNc1ccnc(c1)F 32fd0709675178143ebd3e328bc6c4f0 [0,2,0,0,0,0|2,0,0]=4 7590 B12R1.226 CC(O)CNc1ccnc(c1)I 67eb1e4018e55de61bae6b4a9eaff9b7 [0,2,0,0,0,0|2,0,0]=4 7591 B12R1.226 CC(O)CNc1cncc(c1)Br fc8eb3052bf1ddf413f1b8865c1db6e3 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.226 CC(O)CNc1cncc(c1)Cl 4a8053a285dce96c427cf3e32cf583b6 [0,2,0,0,0,0|2,0,0]=4 7593 B12R1.226 CC(O)CNc1cncc(c1)F cb6b848bcd5792e0288b2cef34b25331 [0,2,0,0,0,0|2,0,0]=4 7594 B12R1.226 CC(O)CNc1cncc(c1)I a60ccf3153cdfd1a71cfabf6e4af740c [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.226 C[C@@H](O)CNc1cc(ccn1)Br fcf580093fbbd52f043e03905b045f63 [0,2,0,0,0,0|2,0,0]=4 7596 B12R1.226 C[C@@H](O)CNc1cc(ccn1)F 7c627a34d8002e71d16001b63a9cbf8d [0,2,0,0,0,0|2,0,0]=4 7597 B12R1.226 C[C@@H](O)CNc1cc(ccn1)I f7b4921822a28b03f652dcfb546b0d56 [0,2,0,0,0,0|2,0,0]=4 7598 B12R1.226 C[C@@H](O)CNc1cc[nH]c(=S)c1 166c739d44b867455eff0bcc231dc4e5 [0,2,0,0,0,0|2,0,0]=4 7599 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 7f47c7e325073bbe1ddb7b38bff8b932 [0,2,0,0,0,0|1,0,0]=3 7600 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 8246dcd52dcd9ed0dbef7338a7f127b3 [0,2,0,0,0,0|1,0,0]=3 7601 B12R1.226 C[C@@H](O)CNc1cccc(c1)F e736be531156c2b7166ca634fb8a70ce [0,2,0,0,0,0|1,0,0]=3 7602 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 4db71a0fd089913b0233a85b00396803 [0,2,0,0,0,0|1,0,0]=3 7603 B12R1.226 C[C@@H](O)CNc1ccnc(c1)Br 89856843cbe45518810f43c5a9c13e4b [0,2,0,0,0,0|2,0,0]=4 7604 B12R1.226 C[C@@H](O)CNc1ccnc(c1)Cl 8e87aed991c96e126489801232854c34 [0,2,0,0,0,0|2,0,0]=4 7605 B12R1.226 C[C@@H](O)CNc1ccnc(c1)F 70ff665587c887d1afa5505f70b20c92 [0,2,0,0,0,0|2,0,0]=4 7606 B12R1.226 C[C@@H](O)CNc1ccnc(c1)I eacb0e15ace996ea8fe319421d09d312 [0,2,0,0,0,0|2,0,0]=4 7607 B12R1.226 C[C@@H](O)CNc1cncc(c1)Cl 9c2d006a345a336b57e335fe828be629 [0,2,0,0,0,0|2,0,0]=4 7608 B12R1.226 C[C@@H](O)CNc1cncc(c1)F 3b97406ad533c2c660aa09de33e1cbfa [0,2,0,0,0,0|2,0,0]=4 7609 B12R1.226 C[C@@H](O)CNc1cncc(c1)I 6ee4ec67faef77ee55359e9b44f7ed3d [0,2,0,0,0,0|2,0,0]=4 7610 B12R1.226 C[C@H](O)CNc1cc(ccn1)Br d536e481fe4c90fc963dc23b065e9b43 [0,2,0,0,0,0|2,0,0]=4 7611 B12R1.226 C[C@H](O)CNc1cc(ccn1)Cl 0909db7c52624d39930d8f407ae9ee98 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.226 C[C@H](O)CNc1cc(ccn1)F a0ed839dbcb0777e4867b4fd0827e01f [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.226 C[C@H](O)CNc1cc(ccn1)I bd8f803a572755a40ed5e2557333ed9a [0,2,0,0,0,0|2,0,0]=4 7614 B12R1.226 C[C@H](O)CNc1cc[nH]c(=S)c1 e0c9c561956b4f8f54b14facdaaab781 [0,2,0,0,0,0|2,0,0]=4 7615 B12R1.226 C[C@H](O)CNc1cccc(c1)Br a49c8030ae048c6affea28034df1531a [0,2,0,0,0,0|1,0,0]=3 7616 B12R1.226 C[C@H](O)CNc1cccc(c1)Cl 2370f8fa6414cdc9dd596258b1f50ab7 [0,2,0,0,0,0|1,0,0]=3 7617 B12R1.226 C[C@H](O)CNc1cccc(c1)F 81dcc6ac1cc4da1e70d103a206dd18af [0,2,0,0,0,0|1,0,0]=3 7618 B12R1.226 C[C@H](O)CNc1cccc(c1)I f90f80969bfd6ec1423e67f3dd3ecafa [0,2,0,0,0,0|1,0,0]=3 7619 B12R1.226 C[C@H](O)CNc1cccc(c1)S 0421b4bf0fcc630d12159982ed02f691 [0,2,0,0,0,0|1,0,0]=3 7620 B12R1.226 C[C@H](O)CNc1cccc(n1)Br ea4df55d31e5320ffa1278f605e2a2f2 [0,2,0,0,0,0|2,0,0]=4 7621 B12R1.226 C[C@H](O)CNc1cccc(n1)Cl 8745136b6a3f41e6e727975a1b08a5e1 [0,2,0,0,0,0|2,0,0]=4 7622 B12R1.226 C[C@H](O)CNc1cccc(n1)F 05bd3522c8043b7e1283f8782a1976cc [0,2,0,0,0,0|2,0,0]=4 7623 B12R1.226 C[C@H](O)CNc1cccc(n1)I 8127a06ebfe0b430aa70b036cb2f20ce [0,2,0,0,0,0|2,0,0]=4 7624 B12R1.226 C[C@H](O)CNc1ccnc(c1)Br eaf2f0f30c28d3d50b4ae34a86fa945b [0,2,0,0,0,0|2,0,0]=4 7625 B12R1.226 C[C@H](O)CNc1ccnc(c1)Cl 099ad97284595dd0b37ea8b0859c3418 [0,2,0,0,0,0|2,0,0]=4 7626 B12R1.226 C[C@H](O)CNc1ccnc(c1)F 79efc6c69fe2cdfb7a782d68e764551f [0,2,0,0,0,0|2,0,0]=4 7627 B12R1.226 C[C@H](O)CNc1ccnc(c1)I 23a347fd05b294388e97d2fdeb63c013 [0,2,0,0,0,0|2,0,0]=4 7628 B12R1.226 C[C@H](O)CNc1cncc(c1)Br 695ae5760ac9c2c44e85378edfdae2ba [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.226 C[C@H](O)CNc1cncc(c1)Cl 76e576e540f9c330176b3eb0b27ae183 [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.226 C[C@H](O)CNc1cncc(c1)F 380df7038475fed73e414ddfc49473f4 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.226 C[C@H](O)CNc1cncc(c1)I 9097c77693e818acf3b1d0abefbd3802 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.226 Cc1cc(ccn1)NCC(C)O 2a2144a7c838a20ceb594a2ca539ddfe [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.226 Cc1cc(ccn1)NC[C@@H](C)O 3b9a6c7a62350d8700326020ad0ef7e4 [0,2,0,0,0,0|2,0,0]=4 7634 B12R1.226 Cc1cc(ccn1)NC[C@H](C)O 7e7b9809785d6a953208ca1e8d34f1d4 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.226 Cc1cccc(c1)CNC(C)C 409614b24510f7aec784aa24e2d29ef2 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.226 Cc1cccc(c1)COC(C)C ac14bed03bb08492372420f353b99c52 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.226 Cc1cccc(c1)NCC(=O)O 70649742ccf1605dab9ff92fff0b0048 [0,2,0,0,0,0|1,0,1]=4 7638 B12R1.226 Cc1cccc(c1)NCC(C)C 4d0c9075dc953be03bb974637f4ee812 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.226 Cc1cccc(c1)NCC(C)O 6ec20ee81cd6564f027fad7c9046635a [0,2,0,0,0,0|1,0,0]=3 7640 B12R1.226 Cc1cccc(c1)NCC(F)F 81d0e59adb7d407ab4b688185206bf1c [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O b7ae52517241209d5ba2933489a9a337 [0,2,0,0,0,0|1,0,0]=3 7642 B12R1.226 Cc1cccc(c1)NC[C@H](C)O 1a909dc0c3197c842cec2d227814451e [0,2,0,0,0,0|1,0,0]=3 7643 B12R1.226 Cc1cccc(c1)OCC(=O)O 786604a4d9b6b5a28358b6494e3779c8 [0,2,0,0,0,0|1,0,1]=4 7644 B12R1.226 Cc1cccc(c1)OCC(C)C a573d64150ab49ed03c4bef1c7ab030b [0,2,0,0,0,0|2,0,0]=4 7645 B12R1.226 Cc1cccc(c1)OCC(F)F 66a6ee211418aa2b98b10f48a814c6c2 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.226 Cc1cccc(n1)NCC(C)O ab7a789a6298d797de7936cb64d58021 [0,2,0,0,0,0|2,0,0]=4 7647 B12R1.226 Cc1cccc(n1)NC[C@H](C)O 53ec20956490ee5f75534d2e8b2a9312 [0,2,0,0,0,0|2,0,0]=4 7648 B12R1.226 Cc1ccnc(c1)NCC(C)O 8a949be7710933378e8e032c40724451 [0,2,0,0,0,0|2,0,0]=4 7649 B12R1.226 Cc1ccnc(c1)NC[C@@H](C)O 6f8908c07b9e740bad3fded4ee895786 [0,2,0,0,0,0|2,0,0]=4 7650 B12R1.226 Cc1ccnc(c1)NC[C@H](C)O c15c721a5b484d333e68b6cb07a3c97f [0,2,0,0,0,0|2,0,0]=4 7651 B12R1.226 Cc1cncc(c1)NCC(C)O b294a425e1b2496a5059b3d30e4ae850 [0,2,0,0,0,0|2,0,0]=4 7652 B12R1.226 Cc1cncc(c1)NC[C@@H](C)O 826a5a2883e032112179a32ef6422c41 [0,2,0,0,0,0|2,0,0]=4 7653 B12R1.226 Cc1cncc(c1)NC[C@H](C)O 4d98f7f58f71e7537b2412a834bb3b7c [0,2,0,0,0,0|2,0,0]=4 7654 B12R1.226 FC(F)CNc1cccc(c1)Br d877c23a1d6ba60ff8904263c1a819b6 [0,2,0,0,0,0|2,0,0]=4 7655 B12R1.226 FC(F)CNc1cccc(c1)Cl d98b436985610892d442e099120f728b [0,2,0,0,0,0|2,0,0]=4 7656 B12R1.226 FC(F)CNc1cccc(c1)I 59025a6ef57d092585c3717a1ddf478a [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.226 FC(F)CNc1cccc(c1)S 8e4a7dbc1d4053b292b9267a06c0d9ae [0,2,0,0,0,0|2,0,0]=4 7658 B12R1.226 FC(F)COc1cccc(c1)Br 69a3d8505535c71714505d7f0a635e9f [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.226 FC(F)COc1cccc(c1)Cl bffa38f16f538d728edcbef1d06807f3 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.226 FC(F)COc1cccc(c1)I 32fe9c2e854075b8dd4e9027b6eb14ae [0,2,0,0,0,0|2,0,0]=4 7661 B12R1.226 FC(F)COc1cccc(c1)S 5da16e673d95b37aa3279b95aabf3254 [0,2,0,0,0,0|2,0,0]=4 7662 B12R1.226 Fc1cccc(c1)NCC(F)F ee44dc9504499f6317ca45940546246d [0,2,0,0,0,0|2,0,0]=4 7663 B12R1.226 Fc1cccc(c1)OCC(F)F 7ad3e8299688bad64f8263fad8bc51f5 [0,2,0,0,0,0|2,0,0]=4 7664 B12R1.226 O=C(O)CNc1cccc(c1)Br 9278e11a40bd0c998d6708a7d8d19cec [0,2,0,0,0,0|1,0,1]=4 7665 B12R1.226 O=C(O)CNc1cccc(c1)Cl 8c61f8028006442c9d2649d1f957fd7d [0,2,0,0,0,0|1,0,1]=4 7666 B12R1.226 O=C(O)CNc1cccc(c1)F b6b54d04a07f3216d0a04238f5fba3c1 [0,2,0,0,0,0|1,0,1]=4 7667 B12R1.226 O=C(O)CNc1cccc(c1)I 3367bac10174c84517b534b631544e4f [0,2,0,0,0,0|1,0,1]=4 7668 B12R1.226 O=C(O)CNc1cccc(c1)S fc8191f1550f855ffd0b67405c376481 [0,2,0,0,0,0|1,0,1]=4 7669 B12R1.226 O=C(O)COc1cccc(c1)Br e18aee2a75703ec32ea93890efc3e7f5 [0,2,0,0,0,0|1,0,1]=4 7670 B12R1.226 O=C(O)COc1cccc(c1)Cl 4a28b0a0b2d269e23d85b0a61be6911d [0,2,0,0,0,0|1,0,1]=4 7671 B12R1.226 O=C(O)COc1cccc(c1)F cb013db402aed90397054cf12c2b0390 [0,2,0,0,0,0|1,0,1]=4 7672 B12R1.226 O=C(O)COc1cccc(c1)I 804ac6165bd2b28fc1b6fc8e01f174fa [0,2,0,0,0,0|1,0,1]=4 7673 B12R1.226 O=C(O)COc1cccc(c1)S bd8deb7f8bafa7f0f3024aeb5dcbddd5 [0,2,0,0,0,0|1,0,1]=4 7674 B12R1.382 C#Cc1cc(ccn1)NCCO 38e6f393d85b924d9ad39897db6cf4c9 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.382 C#Cc1cccc(c1)CNCC 817f8c79d5ab46f56c030498585bba27 [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.382 C#Cc1cccc(c1)CNCF 1ba4cbe344bc433623b1b40eb161f78f [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.382 C#Cc1cccc(c1)CNCO 7ea42023f49dc7ade2f2d4847946d091 [0,2,0,0,0,0|1,0,0]=3 7678 B12R1.382 C#Cc1cccc(c1)COCC 0aefc46aa3bedf4fffaf0aca59b2af8f [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.382 C#Cc1cccc(c1)COCF 2d8212ac7e40435e35a91a53da22b807 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.382 C#Cc1cccc(c1)NCCC 48cb5fd6f15463f0eecd350ea224d5ed [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.382 C#Cc1cccc(c1)NCCF f2f0d83a0eff4615d3a8fcc9143990a4 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.382 C#Cc1cccc(c1)NCCO e8d8b0742301fa09edea0474d4ce5ebe [0,2,0,0,0,0|1,0,0]=3 7683 B12R1.382 C#Cc1cccc(c1)NCCS b0498e8946349f6fa94e7b62dfb0a65c [0,2,0,0,0,0|1,1,0]=4 7684 B12R1.382 C#Cc1cccc(c1)OCCC e802ba880defb96a8a52b892f1515404 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.382 C#Cc1cccc(c1)OCCF 6ada66d60d27799f30d337a7ee728ad7 [0,2,0,0,0,0|2,0,0]=4 7686 B12R1.382 C#Cc1cccc(c1)OCCS cee1c7d2b916e7c7a09b1f837e643fb6 [0,2,0,0,0,0|1,1,0]=4 7687 B12R1.382 C#Cc1cccc(n1)NCCO 297e6c8aa282720bc59f358ffba3b234 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.382 C#Cc1ccnc(c1)NCCO 842e47511ecc925c98750e4dd2575a4b [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.382 C#Cc1cncc(c1)NCCO 70ef0f60ed84a7e70f8ae81be466cab0 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.382 C=Cc1cc(ccn1)NCCO e08ed4fa0e9cd0958fae01c8559c8a4a [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.382 C=Cc1cccc(c1)COCC ab7097d3cc7fbef14952297b4960b713 [0,2,0,0,0,0|2,0,0]=4 7692 B12R1.382 C=Cc1cccc(c1)COCF cc674916704e1083581ec4cdb1e01e0b [0,2,0,0,0,0|2,0,0]=4 7693 B12R1.382 C=Cc1cccc(c1)NCCBr 199fd6ce72fb9c36ae09818b6c0ff6ad [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.382 C=Cc1cccc(c1)NCCC ba02dca6552e93f25052165b0e6277cb [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.382 C=Cc1cccc(c1)NCCF c4756baa41576cba1a1aa24a355d3a55 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.382 C=Cc1cccc(c1)NCCI 459ec8365228bc0e8cd45666150a93c5 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.382 C=Cc1cccc(c1)NCCO 5b68736fbe92a3f6690bfc2577e1d9a4 [0,2,0,0,0,0|1,0,0]=3 7698 B12R1.382 C=Cc1cccc(c1)NCCS 3499e208067cac3622b16175775a2cf7 [0,2,0,0,0,0|1,1,0]=4 7699 B12R1.382 C=Cc1cccc(c1)OCCC 17035cc7a5f79f5722c9102a227ed3d6 [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.382 C=Cc1cccc(c1)OCCF 2d228a7f2085b458d25a6740cd52e9b8 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.382 C=Cc1cccc(c1)OCCS 8a7852f85bbab85df511257f83245ccb [0,2,0,0,0,0|1,1,0]=4 7702 B12R1.382 C=Cc1cccc(n1)NCCO fe3183f35ba94a3c0066f76ce2a59feb [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.382 C=Cc1ccnc(c1)NCCO 258d665c4c7e394af48ce1487397cab1 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.382 CCCNc1cccc(c1)C#N a2eb5b352059d7a9f0087f055aa7dca0 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.382 CCCNc1cccc(c1)C=O 86db3c7624ad38ce56be3bba817833bd [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.382 CCCNc1cccc(c1)CBr 8df2f1b37b7ed9bbd65c2fc377c80d53 [0,2,0,0,0,0|2,0,0]=4 7707 B12R1.382 CCCNc1cccc(c1)CC 61552c9dbea55b0507de0d62bd637cf4 [0,2,0,0,0,0|2,0,0]=4 7708 B12R1.382 CCCNc1cccc(c1)CF 25c29314c04fb6497dfa07090da80763 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.382 CCCNc1cccc(c1)CO b9bfec98c4c18aa7e2b2505fe0f0fa2f [0,2,0,0,0,0|2,0,0]=4 7710 B12R1.382 CCCNc1cccc(c1)CS 841a5c78f4e1b6d3c2314372314e5fd7 [0,2,0,0,0,0|2,0,0]=4 7711 B12R1.382 CCCNc1cccc(c1)OC 796ed24fdd9f08a548b117ecbe4d9026 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.382 CCCNc1cccc(c1)ON 9864d8eccf3700966a241b152147731a [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.382 CCCNc1cccc(c1)SC 0519ac730415516920cf28b38885fce7 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.382 CCCOc1cccc(c1)C#N 21c0f09b4edb490bd5ce77af8b4d2ba2 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.382 CCCOc1cccc(c1)C=O 21f91abf3f9aa4f00ed6592132e8491a [0,2,0,0,0,0|2,0,0]=4 7716 B12R1.382 CCCOc1cccc(c1)CC ffb15cc2ed39bd20514d6a2afc6a39c6 [0,2,0,0,0,0|2,0,0]=4 7717 B12R1.382 CCCOc1cccc(c1)OC f3db11136b3cbf782c2286c6e3ca943e [0,2,0,0,0,0|2,0,0]=4 7718 B12R1.382 CCCOc1cccc(c1)SC ad41ee52aa0a583b4d47f6e588d6185f [0,2,0,0,0,0|2,0,0]=4 7719 B12R1.382 CCNCc1cccc(c1)C#N 34f68bfb6c1581c3e55f4f91a9e059e4 [0,2,0,0,0,0|2,0,0]=4 7720 B12R1.382 CCNCc1cccc(c1)CC 5eaa260b3d0d999df37ca3bdff8d70cd [0,2,0,0,0,0|2,0,0]=4 7721 B12R1.382 CCNCc1cccc(c1)CO b99393bf72a32cd83525a4c7f2eb0594 [0,2,0,0,0,0|2,0,0]=4 7722 B12R1.382 CCNCc1cccc(c1)OC d05423d998f2bee005b62c5b32cff4a4 [0,2,0,0,0,0|2,0,0]=4 7723 B12R1.382 CCNCc1cccc(c1)SC 9a346411aa4b7630fb76d07cff593047 [0,2,0,0,0,0|2,0,0]=4 7724 B12R1.382 CCOCc1cccc(c1)C#N 0e4786b32b8eb00b2fe888cc0869f568 [0,2,0,0,0,0|2,0,0]=4 7725 B12R1.382 CCOCc1cccc(c1)C=O c456bcdabdece2523f46d420d0823e08 [0,2,0,0,0,0|2,0,0]=4 7726 B12R1.382 CCOCc1cccc(c1)CC a10b7fc60b0542d0179ffe953fd82eb5 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.382 CCOCc1cccc(c1)OC 78fd4a0b593b5164575c02afa53f8542 [0,2,0,0,0,0|2,0,0]=4 7728 B12R1.382 CCOCc1cccc(c1)SC 48b4eefaff5189e77715acb2a4c3e18b [0,2,0,0,0,0|2,0,0]=4 7729 B12R1.382 CCc1cc(ccn1)NCCO 162fc905bcd552831077cce6ce03c0f8 [0,2,0,0,0,0|2,0,0]=4 7730 B12R1.382 CCc1cccc(c1)CNCF 4d183dcfec2a36b1884e98e43b6b1352 [0,2,0,0,0,0|2,0,0]=4 7731 B12R1.382 CCc1cccc(c1)CNCO f24268b85b4fe188cbb97f6c6ef50caa [0,2,0,0,0,0|1,0,0]=3 7732 B12R1.382 CCc1cccc(c1)COCF 3cff9aa9d416950e6b0ef8fda0507686 [0,2,0,0,0,0|2,0,0]=4 7733 B12R1.382 CCc1cccc(c1)NCCBr 10ff50637c8611afcf19e5ab3804ee13 [0,2,0,0,0,0|2,0,0]=4 7734 B12R1.382 CCc1cccc(c1)NCCF 582f0e72cdfc2d717514f3692079e436 [0,2,0,0,0,0|2,0,0]=4 7735 B12R1.382 CCc1cccc(c1)NCCI c3a3074348e2909e92c1f853266dd572 [0,2,0,0,0,0|2,0,0]=4 7736 B12R1.382 CCc1cccc(c1)NCCO 2f80a20955be527f1730bf8c264a9561 [0,2,0,0,0,0|1,0,0]=3 7737 B12R1.382 CCc1cccc(c1)NCCS 19c08bb9b80ae2b64c7952cf12118063 [0,2,0,0,0,0|1,1,0]=4 7738 B12R1.382 CCc1cccc(c1)OCCF 4e886a06521fd3f56703504bda0a995f [0,2,0,0,0,0|2,0,0]=4 7739 B12R1.382 CCc1cccc(c1)OCCS 7f54e4bf6eabf3d427f103463baaa367 [0,2,0,0,0,0|1,1,0]=4 7740 B12R1.382 CCc1cccc(n1)NCCO 2fb43500a594a6228b213ee4f5ed1829 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.382 CCc1ccnc(c1)NCCO fec89656239241771e6e26bdae7ded11 [0,2,0,0,0,0|2,0,0]=4 7742 B12R1.382 CCc1cncc(c1)NCCO 5d07dba075ccf74ae0254c37556a25b3 [0,2,0,0,0,0|2,0,0]=4 7743 B12R1.382 COc1cc(ccn1)CNCO b4763b17b6a71a34554211123d96e56c [0,2,0,0,0,0|2,0,0]=4 7744 B12R1.382 COc1cc(ccn1)NCCO 051169fe8af5303e233e10da5ff8e14b [0,2,0,0,0,0|2,0,0]=4 7745 B12R1.382 COc1cccc(c1)CNCF 9c4f1047517003ebf37ea9781c2ce133 [0,2,0,0,0,0|2,0,0]=4 7746 B12R1.382 COc1cccc(c1)CNCO 0711493d98a6b00a36bcf9962ea7a16e [0,2,0,0,0,0|1,0,0]=3 7747 B12R1.382 COc1cccc(c1)COCF a80d272b226a4a4a6711719d5ced3a42 [0,2,0,0,0,0|2,0,0]=4 7748 B12R1.382 COc1cccc(c1)NCCF 9aee43291355eb159919eb7a754f87e0 [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.382 COc1cccc(c1)NCCI 0e055fdc0fbf14eb31f7a007f4b8f253 [0,2,0,0,0,0|2,0,0]=4 7750 B12R1.382 COc1cccc(c1)NCCO b88e08f1d57ce07af36e71c0c77a75d9 [0,2,0,0,0,0|1,0,0]=3 7751 B12R1.382 COc1cccc(c1)NCCS e399560d322290fa850fbba42b7052ed [0,2,0,0,0,0|1,1,0]=4 7752 B12R1.382 COc1cccc(c1)OCCF f57333ad0bc8d1b4145e15b16506543a [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.382 COc1cccc(c1)OCCS 888913f9b44546952cafc5ed89624e88 [0,2,0,0,0,0|1,1,0]=4 7754 B12R1.382 COc1cccc(n1)CNCO fb2957d353cdcf263cf99d2e058490d9 [0,2,0,0,0,0|2,0,0]=4 7755 B12R1.382 COc1cccc(n1)NCCO 95a15e3c23f26edba544e738e07f43a9 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.382 COc1ccnc(c1)CNCO 2171adbd0747272049fca97fc56e5e34 [0,2,0,0,0,0|2,0,0]=4 7757 B12R1.382 COc1ccnc(c1)NCCO ce474ae8d1b7fd6d622fc644de7157e2 [0,2,0,0,0,0|2,0,0]=4 7758 B12R1.382 COc1cncc(c1)CNCO 689fef9ccb41f4b9286187c871a469bf [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.382 COc1cncc(c1)NCCO 08a183854693b3435194eaaae6e2489b [0,2,0,0,0,0|2,0,0]=4 7760 B12R1.382 CSc1cc(ccn1)NCCO d3c91d89474d15f0a0a250b1c95904fd [0,2,0,0,0,0|2,0,0]=4 7761 B12R1.382 CSc1cccc(c1)CNCF 0a67ea6edf634443dc9b65e7cb17148e [0,2,0,0,0,0|2,0,0]=4 7762 B12R1.382 CSc1cccc(c1)CNCO 0e9f943f9f22145bb300e5e15cf6bbb8 [0,2,0,0,0,0|1,0,0]=3 7763 B12R1.382 CSc1cccc(c1)COCF 78c482146023719c2d5b31a926c6cf62 [0,2,0,0,0,0|2,0,0]=4 7764 B12R1.382 CSc1cccc(c1)NCCBr c5254a30f06344fd9016e4b5a67e5e8c [0,2,0,0,0,0|2,0,0]=4 7765 B12R1.382 CSc1cccc(c1)NCCF 9c1b119556ead663da90d9b289c13f44 [0,2,0,0,0,0|2,0,0]=4 7766 B12R1.382 CSc1cccc(c1)NCCI 98a2d5c1914f14cce15030adb2a9e6cf [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.382 CSc1cccc(c1)NCCO e070f2467f011077d88ab5350b5a3a81 [0,2,0,0,0,0|1,0,0]=3 7768 B12R1.382 CSc1cccc(c1)NCCS 9bb90d64a2f93244876c24e461ca91a4 [0,2,0,0,0,0|1,1,0]=4 7769 B12R1.382 CSc1cccc(c1)OCCF 1aebb32a2a3bf081c8d7ba3bb549490b [0,2,0,0,0,0|2,0,0]=4 7770 B12R1.382 CSc1cccc(c1)OCCS 80868521a7ffbb6855cf24e762c42e54 [0,2,0,0,0,0|1,1,0]=4 7771 B12R1.382 CSc1cccc(n1)NCCO f239d6d2cb4ef7fb09b6b8898e12872b [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.382 CSc1ccnc(c1)NCCO c3e9cb14b3e909ef216dc000a809f234 [0,2,0,0,0,0|2,0,0]=4 7773 B12R1.382 FCCNc1cccc(c1)CBr 6670c6295a669f8ae43464c125815e7b [0,2,0,0,0,0|2,0,0]=4 7774 B12R1.382 FCCNc1cccc(c1)CF 1377a2c7d21d213fb85f72f25f75caa7 [0,2,0,0,0,0|2,0,0]=4 7775 B12R1.382 FCCNc1cccc(c1)CS ef428b14f58af526599e57cdbecbbd2d [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.382 FCc1cccc(c1)NCCBr 5540c5346099951734578309aa91eb01 [0,2,0,0,0,0|2,0,0]=4 7777 B12R1.382 FCc1cccc(c1)NCCI ba2752e32d67d47361eea1a35affae44 [0,2,0,0,0,0|2,0,0]=4 7778 B12R1.382 FCc1cccc(c1)NCCS 9f686e7d17bc206c79866b6ffab077e0 [0,2,0,0,0,0|1,1,0]=4 7779 B12R1.382 N#Cc1cc(ccn1)NCCO cf985e0a68569cfed9ae7782e949adf1 [0,2,0,0,0,0|2,0,0]=4 7780 B12R1.382 N#Cc1cccc(c1)CNCF a901025bbb09bc3d0315de4809aa43e5 [0,2,0,0,0,0|2,0,0]=4 7781 B12R1.382 N#Cc1cccc(c1)CNCO bde0d21f17ff1b9adc31e46db3294340 [0,2,0,0,0,0|1,0,0]=3 7782 B12R1.382 N#Cc1cccc(c1)COCF 373a36cc1387e36baf8dd69f9d487213 [0,2,0,0,0,0|2,0,0]=4 7783 B12R1.382 N#Cc1cccc(c1)NCCF 4bdab8cef523bfb6e4a503d1c8b0f8a7 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.382 N#Cc1cccc(c1)NCCO 88a2b108c62948749cae8b893b10796a [0,2,0,0,0,0|1,0,0]=3 7785 B12R1.382 N#Cc1cccc(c1)NCCS 64e5d8fa1611bd84253af8a64b9d9d3b [0,2,0,0,0,0|1,1,0]=4 7786 B12R1.382 N#Cc1cccc(c1)OCCF 2541d5edef6e44cb833f35f475581080 [0,2,0,0,0,0|2,0,0]=4 7787 B12R1.382 N#Cc1cccc(c1)OCCS df39c94abdd39edfe51accc86dd2401c [0,2,0,0,0,0|1,1,0]=4 7788 B12R1.382 N#Cc1cccc(n1)NCCO 0f0687f42e8dc84ed1e63bb2b4f5220b [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.382 N#Cc1ccnc(c1)NCCO 5e1ffaa5d8a21a3cb9d885233fe4e85e [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.382 N#Cc1cncc(c1)NCCO 4e7fd1de26543cbecf0031c3a489a8c3 [0,2,0,0,0,0|2,0,0]=4 7791 B12R1.382 NOc1cccc(c1)NCCBr 04664b2e581963213be25d1fd44662b1 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.382 NOc1cccc(c1)NCCI dc4b0b33597cf2ff1c65bc1800eae7b7 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.382 NOc1cccc(c1)NCCO 353fe9f4a5dd47a8dd42445df1851ad0 [0,2,0,0,0,0|1,0,0]=3 7794 B12R1.382 NOc1cccc(c1)NCCS afb7d58a50a484436f87b99fdfc80f1a [0,2,0,0,0,0|1,1,0]=4 7795 B12R1.382 O=Cc1cc(ccn1)NCCO 2e08c05021427cc5237e0f430659d28c [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.382 O=Cc1cccc(c1)COCF f26840990b42affca6386156f8d741c7 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.382 O=Cc1cccc(c1)NCCBr 413e65f0f38a970264dd2826bebbd3d3 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.382 O=Cc1cccc(c1)NCCF 6845ce35297e7ccf85e26bdf57b77cb2 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.382 O=Cc1cccc(c1)NCCI 1870fd9a7556534baf442d764fdabed9 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.382 O=Cc1cccc(c1)NCCO fc8e39f56787c566bdba0358c9b6d861 [0,2,0,0,0,0|1,0,0]=3 7801 B12R1.382 O=Cc1cccc(c1)NCCS 3f1fc8e47c42a5ec0e419d228efedb23 [0,2,0,0,0,0|1,1,0]=4 7802 B12R1.382 O=Cc1cccc(c1)OCCF 95d98d6b8c3d81781dec19f2a083a18e [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.382 O=Cc1cccc(c1)OCCS 2dc9886b8012ed24ac97363ce66733f2 [0,2,0,0,0,0|1,1,0]=4 7804 B12R1.382 O=Cc1cccc(n1)NCCO c8dfb27cac6575498df3fdaa7123b408 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.382 O=Cc1ccnc(c1)NCCO d6c9919adfe5d04b2b9bf11c74f9c6f4 [0,2,0,0,0,0|2,0,0]=4 7806 B12R1.382 O=Cc1cncc(c1)NCCO 226f4d4fd01a7b54aa552194238bcde4 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.382 OCCNc1cc(ccn1)CCl cf9486ba907a7bde6294a0b24dd79b4e [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.382 OCCNc1cc(ccn1)CF 67cef08fec140ee29526bd1f87147484 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.382 OCCNc1cc(ccn1)CO 362cac45997b70789f3ddf41e184e26a [0,2,0,0,0,0|2,0,0]=4 7810 B12R1.382 OCCNc1cccc(c1)CBr e2c3b93e9a8c9550ea96fb0028bb0340 [0,2,0,0,0,0|1,0,0]=3 7811 B12R1.382 OCCNc1cccc(c1)CF 6f3722d9f43d2cfef2b38cff1e7ee502 [0,2,0,0,0,0|1,0,0]=3 7812 B12R1.382 OCCNc1cccc(c1)CO 0808b90153323c04d03b0677204cae85 [0,2,0,0,0,0|1,0,0]=3 7813 B12R1.382 OCCNc1cccc(c1)CS 1b123da646152eec33a298c791f96111 [0,2,0,0,0,0|1,0,0]=3 7814 B12R1.382 OCCNc1cccc(n1)CO 1e574fe684cddd4da5b11d606f5df1e0 [0,2,0,0,0,0|2,0,0]=4 7815 B12R1.382 OCCNc1ccnc(c1)CO 1bc384cc704817ae63bddb15d0234718 [0,2,0,0,0,0|2,0,0]=4 7816 B12R1.382 OCCNc1cncc(c1)CCl b5e0110f75e122c593363db5582bfc6a [0,2,0,0,0,0|2,0,0]=4 7817 B12R1.382 OCCNc1cncc(c1)CO e77e09cd47a5d486a33d65e94c83e501 [0,2,0,0,0,0|2,0,0]=4 7818 B12R1.382 OCNCc1cccc(c1)CO 630ae6eba165db38f26a3e3eabeb16a9 [0,2,0,0,0,0|1,0,0]=3 7819 B12R1.382 OCNCc1cccc(n1)CO 649b5c1afe08c0d7da59642cdc0843d7 [0,2,0,0,0,0|2,0,0]=4 7820 B12R1.382 OCc1cccc(c1)CNCF c6b1ffa6387014593af4e1f5b945f78a [0,2,0,0,0,0|2,0,0]=4 7821 B12R1.382 OCc1cccc(c1)NCCBr 6137a7e43ad1b643ed52b1737468a2a9 [0,2,0,0,0,0|2,0,0]=4 7822 B12R1.382 OCc1cccc(c1)NCCF c3f4f0823c3c49048fc6516c6ee1b003 [0,2,0,0,0,0|2,0,0]=4 7823 B12R1.382 OCc1cccc(c1)NCCI cc30551dfd65f0066ce2e311ca8f055b [0,2,0,0,0,0|2,0,0]=4 7824 B12R1.382 OCc1cccc(c1)NCCS ec06786165cd8c877e01d82cb0b58b19 [0,2,0,0,0,0|1,1,0]=4 7825 B12R1.382 SCCNc1cccc(c1)CBr be787b5513c41454507844f064faa5ad [0,2,0,0,0,0|1,1,0]=4 7826 B12R1.382 SCCNc1cccc(c1)CS f02fd193f13f7487207c9125120e0944 [0,2,0,0,0,0|1,1,0]=4 7827 B12R1.382 SCc1cccc(c1)NCCBr a41818bc10351046784eadc9a5e97c6b [0,2,0,0,0,0|2,0,0]=4 7828 B12R1.382 SCc1cccc(c1)NCCI 28d7034a55e1f44225ed3fadcdcde83b [0,2,0,0,0,0|2,0,0]=4 7829 B12R1.8 BrCCNCCc1ccccc1 44438bbdc203ba2a96e00daceba19cdb [0,2,0,0,0,0|1,0,0]=3 7830 B12R1.8 BrCCNCCc1ccccn1 9a06bde2821ec808c3f7baa49dbbb136 [0,2,0,0,0,0|2,0,0]=4 7831 B12R1.8 BrCCNCCc1cccnc1 d7f4e91980611b9c6a9d67fde3f5b289 [0,2,0,0,0,0|2,0,0]=4 7832 B12R1.8 BrCCNCCc1ccncc1 ba1243a8e4e9a5eab4ccd20a3c98cc85 [0,2,0,0,0,0|2,0,0]=4 7833 B12R1.8 BrCCNCSc1ccccc1 b2e3f633ef77399c1c780c49854458d2 [0,2,0,0,0,0|1,0,0]=3 7834 B12R1.8 C#CCCCNc1ccccc1 74fc175421dbc3b424699e770c0c2fc6 [0,2,0,0,0,0|1,0,0]=3 7835 B12R1.8 C#CCCCNc1ccccn1 f74918c9b775b912144ccd5ebf7491f1 [0,2,0,0,0,0|2,0,0]=4 7836 B12R1.8 C#CCCCNc1cccnc1 4d793259f81a9b3f47a88810245ef340 [0,2,0,0,0,0|2,0,0]=4 7837 B12R1.8 C#CCCCNc1ccncc1 4d3332786b1fc04e4a5c86eb34820b5b [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.8 C#CCCCOc1ccccn1 ca998b2f242d93f6215c87905ac5ff4d [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.8 C#CCCCOc1cccnc1 6e82f3984c1aed7b5310718b60212439 [0,2,0,0,0,0|2,0,0]=4 7840 B12R1.8 C#CCCCOc1ccncc1 9077065c77eafde1fc77dbf83d0d972d [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.8 C#CCCNCc1ccccc1 9efcf95ab875a3743cf2704fb10ab2d7 [0,2,0,0,0,0|1,0,0]=3 7842 B12R1.8 C#CCCNCc1ccccn1 59d980bd17be4025beef06b5145435ba [0,2,0,0,0,0|2,0,0]=4 7843 B12R1.8 C#CCCNCc1cccnc1 dc431d5bca4968cf851b34dc6dc26130 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.8 C#CCCNCc1ccncc1 852f3c180c6d953cc8152a672783baad [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.8 C#CCCOCc1ccccc1 97bbe114df19205ca39f984806a809da [0,2,0,0,0,0|1,0,0]=3 7846 B12R1.8 C#CCCOCc1ccccn1 36747d1196f3892bc1aba905204206de [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.8 C#CCCOCc1cccnc1 b08e9ff94f6e2e21148b56790b0235b3 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.8 C#CCCOCc1ccncc1 6578d78953a5af77cd674f7737c05db0 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.8 C#CCNCCc1ccccc1 92e5ef2f7dd8ca50296fc5c10a5e2140 [0,2,0,0,0,0|1,0,0]=3 7850 B12R1.8 C#CCNCCc1ccccn1 e1cf6dd033aadde6da07434202745395 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.8 C#CCNCCc1cccnc1 e60b4d1abf32bb9fd8746da8f436489d [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.8 C#CCNCCc1ccncc1 c64471921438c4519b11dff9e39caf1f [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.8 C#CCOCCc1ccccc1 1e82b640f7f45e3a6d3d3fcd5bd127f6 [0,2,0,0,0,0|1,0,0]=3 7854 B12R1.8 C#CCOCCc1ccccn1 9893f75bd965843947744e3b27cc7da1 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.8 C#CCOCCc1cccnc1 d7ccc976f9d62df6e2aab2082fe6ddfb [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.8 C#CCOCCc1ccncc1 5e03604e158db99f11ef01f90386ed59 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.8 C/C=C/CNCc1ccccc1 696910dabaeed0573317ce9dc7d987f1 [0,2,0,0,0,0|1,0,1]=4 7858 B12R1.8 C/C=C/COCc1ccccc1 bedaf623f7df2efe6975ff88cd723c7c [0,2,0,0,0,0|1,0,1]=4 7859 B12R1.8 C/C=C\CNCc1ccccc1 fd8d6b82f6381d759806df05cfd6b008 [0,2,0,0,0,0|1,0,1]=4 7860 B12R1.8 C/C=C\COCc1ccccc1 bb9ff25480a2f7ddd7050e8b042c0009 [0,2,0,0,0,0|1,0,1]=4 7861 B12R1.8 C=CCCCNc1ccccc1 1d0bca19d381bcc4d59024edc1b06712 [0,2,0,0,0,0|1,0,0]=3 7862 B12R1.8 C=CCCCNc1ccccn1 e5808d19518398a1ac1fb2845617301a [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.8 C=CCCCNc1cccnc1 11477e53917592052a1591895da3280a [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.8 C=CCCCNc1ccncc1 c31eda044feff49129c74bc2d9aee1ec [0,2,0,0,0,0|2,0,0]=4 7865 B12R1.8 C=CCCCOc1ccccn1 b12ceda17d9a41bf4b369bab098a20b1 [0,2,0,0,0,0|2,0,0]=4 7866 B12R1.8 C=CCCCOc1cccnc1 5c58204161942709abe54e55301587ae [0,2,0,0,0,0|2,0,0]=4 7867 B12R1.8 C=CCCCOc1ccncc1 90ac7fc0fb036164f203d04468894f5e [0,2,0,0,0,0|2,0,0]=4 7868 B12R1.8 C=CCCNCc1ccccc1 7be44c4294c0af7fca2ca0fbee344b88 [0,2,0,0,0,0|1,0,0]=3 7869 B12R1.8 C=CCCNCc1ccccn1 b22afe97d1e37a0dc13465eb79fd6586 [0,2,0,0,0,0|2,0,0]=4 7870 B12R1.8 C=CCCNCc1cccnc1 2aeb50c38e39d9f819e417af44d77a5c [0,2,0,0,0,0|2,0,0]=4 7871 B12R1.8 C=CCCNCc1ccncc1 5bdefe499eb3871094a4dd8a4e9958ac [0,2,0,0,0,0|2,0,0]=4 7872 B12R1.8 C=CCCOCc1ccccc1 000cda704ecf3c98644bbc2e7f9bf607 [0,2,0,0,0,0|1,0,0]=3 7873 B12R1.8 C=CCCOCc1ccccn1 47e99f56f368e6a19737a4a3f652cca6 [0,2,0,0,0,0|2,0,0]=4 7874 B12R1.8 C=CCCOCc1cccnc1 b4aed6e156172cb2992ef59635076b41 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.8 C=CCCOCc1ccncc1 260748b694c3beffda2c33f2ca32655b [0,2,0,0,0,0|2,0,0]=4 7876 B12R1.8 C=CCNCCc1ccccc1 e4db187976e48a8658dbc174b43f52d7 [0,2,0,0,0,0|1,0,0]=3 7877 B12R1.8 C=CCNCCc1ccccn1 550ce1388b16ef35cb65525117331fc9 [0,2,0,0,0,0|2,0,0]=4 7878 B12R1.8 C=CCNCCc1cccnc1 f98eee683f799eff06b2337ea980f7f3 [0,2,0,0,0,0|2,0,0]=4 7879 B12R1.8 C=CCNCCc1ccncc1 ad6c7a7cf72d4cce0392e7cb64360c80 [0,2,0,0,0,0|2,0,0]=4 7880 B12R1.8 C=CCOCCc1ccccc1 173678d3e3d21c00d8c7f5a8565ba584 [0,2,0,0,0,0|1,0,0]=3 7881 B12R1.8 C=CCOCCc1ccccn1 28adb9ab585b603d110dbc02f096f29c [0,2,0,0,0,0|2,0,0]=4 7882 B12R1.8 C=CCOCCc1cccnc1 317fc51bbefe02d6eba4d9c58adb99c3 [0,2,0,0,0,0|2,0,0]=4 7883 B12R1.8 C=CCOCCc1ccncc1 168fd21bb8ad1506f0ade4f0cca9b157 [0,2,0,0,0,0|2,0,0]=4 7884 B12R1.8 C=COCCNc1ccccc1 3a1f98f63177a0d5afcfdcd488fa8e7f [0,2,0,0,0,0|1,0,0]=3 7885 B12R1.8 C=COCCNc1ccccn1 d058c97108c98511d70ae23f12f7359e [0,2,0,0,0,0|2,0,0]=4 7886 B12R1.8 C=COCCNc1cccnc1 b34671aad62ff8e345a45320b03e3aba [0,2,0,0,0,0|2,0,0]=4 7887 B12R1.8 C=COCCNc1ccncc1 fa29dcc6bd1fa99630ee792625ae4d48 [0,2,0,0,0,0|2,0,0]=4 7888 B12R1.8 CC#CCNCc1ccccc1 8c1f08f42380d385ee55fb616f0806b5 [0,2,0,0,0,0|1,0,1]=4 7889 B12R1.8 CC#CCOCc1ccccc1 2b91241b0f7d27af23601ef3b65fea8e [0,2,0,0,0,0|1,0,1]=4 7890 B12R1.8 CC/C=C/CNc1ccccc1 ae4615a47949f31d5764aa26c0be3c5c [0,2,0,0,0,0|1,0,1]=4 7891 B12R1.8 CC=CCNCc1ccccc1 ccb966671e75f827f9356a0f248353fa [0,2,0,0,0,0|1,0,1]=4 7892 B12R1.8 CC=CCOCc1ccccc1 dcaa6de30aada804690dc36fa942dd3d [0,2,0,0,0,0|1,0,1]=4 7893 B12R1.8 CCCCCNc1ccccc1 91c03911249f1a729a636c2485e854e3 [0,2,0,0,0,0|1,0,0]=3 7894 B12R1.8 CCCCCNc1ccccn1 585f24212680e3bfc425e0aec0b439c2 [0,2,0,0,0,0|2,0,0]=4 7895 B12R1.8 CCCCCNc1cccnc1 5fa826aa2d84f836457483e84a27413b [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.8 CCCCCNc1ccncc1 c8c0d07b57d58f944b73cd42db77f640 [0,2,0,0,0,0|2,0,0]=4 7897 B12R1.8 CCCCCOc1ccccn1 c51e7a702fec97dea4ed5e55e57ef936 [0,2,0,0,0,0|2,0,0]=4 7898 B12R1.8 CCCCCOc1cccnc1 42835187bb2a96f147e75f8d7bf5c0be [0,2,0,0,0,0|2,0,0]=4 7899 B12R1.8 CCCCCOc1ccncc1 3d667a33e0f6f9349f26cd5c20bf8187 [0,2,0,0,0,0|2,0,0]=4 7900 B12R1.8 CCCCNCc1ccccc1 0ab7d34979c69bc4acd6ef46bb666f9a [0,2,0,0,0,0|1,0,0]=3 7901 B12R1.8 CCCCNCc1ccccn1 1dacaf15214ef41cb3c2f1c9818fbd94 [0,2,0,0,0,0|2,0,0]=4 7902 B12R1.8 CCCCNCc1cccnc1 f62a7991eabce63e2457be2a93ae29e8 [0,2,0,0,0,0|2,0,0]=4 7903 B12R1.8 CCCCNCc1ccncc1 d7fdf09c2c934be58dbd6e9ec30494ab [0,2,0,0,0,0|2,0,0]=4 7904 B12R1.8 CCCCOCc1ccccc1 e7a2ea9d8e76018a19cac6b1863869f7 [0,2,0,0,0,0|1,0,0]=3 7905 B12R1.8 CCCCOCc1ccccn1 bdbee8dba51183bb4dac05ec623e6fd7 [0,2,0,0,0,0|2,0,0]=4 7906 B12R1.8 CCCCOCc1cccnc1 e919bcaf101899d0377d8f05c8edc329 [0,2,0,0,0,0|2,0,0]=4 7907 B12R1.8 CCCCOCc1ccncc1 5c9bdd1b1ccd1eb8838682c13573b707 [0,2,0,0,0,0|2,0,0]=4 7908 B12R1.8 CCCNCCc1ccccc1 de4634a5b10be0583379bf36a55fd975 [0,2,0,0,0,0|1,0,0]=3 7909 B12R1.8 CCCNCCc1ccccn1 db4179a8136b988593f56bef0e41421d [0,2,0,0,0,0|2,0,0]=4 7910 B12R1.8 CCCNCCc1cccnc1 1e462df2b0ae672e64302eccd1ccbf55 [0,2,0,0,0,0|2,0,0]=4 7911 B12R1.8 CCCNCCc1ccncc1 75fa7087d9d322d4fb962981385838e0 [0,2,0,0,0,0|2,0,0]=4 7912 B12R1.8 CCCOCCc1ccccc1 6ff048bac0fc069e37a7f6359e53917a [0,2,0,0,0,0|1,0,0]=3 7913 B12R1.8 CCCOCCc1ccccn1 495b2e5857432868e8dc4db07751a420 [0,2,0,0,0,0|2,0,0]=4 7914 B12R1.8 CCCOCCc1cccnc1 04113a7c0c0fc7a249f8441dcdeb4b99 [0,2,0,0,0,0|2,0,0]=4 7915 B12R1.8 CCCOCCc1ccncc1 528887ae5600fb3f47428d9b5b2b2fc5 [0,2,0,0,0,0|2,0,0]=4 7916 B12R1.8 CCNC/C=C/c1ccccc1 c4e37c1c9c7a04432ce233e4ac762fd0 [0,2,0,0,0,0|1,0,1]=4 7917 B12R1.8 CCNCCCc1ccccc1 b7715a69dd85035a729bcc3298689ab5 [0,2,0,0,0,0|1,0,0]=3 7918 B12R1.8 CCNCCCc1ccccn1 048a807537b42fb54187509210f6e12c [0,2,0,0,0,0|2,0,0]=4 7919 B12R1.8 CCNCCCc1cccnc1 3373f8695160430ad61e1df554bf48e4 [0,2,0,0,0,0|2,0,0]=4 7920 B12R1.8 CCNCCCc1ccncc1 1312ae4c95d1a1c5d3e95a7869565a5a [0,2,0,0,0,0|2,0,0]=4 7921 B12R1.8 CCNCCOc1ccccc1 d5ddae3ded59ed35e9c0403b52d833f2 [0,2,0,0,0,0|1,0,0]=3 7922 B12R1.8 CCNCCOc1ccccn1 f517badbab06764c0d778d5166959ef7 [0,2,0,0,0,0|2,0,0]=4 7923 B12R1.8 CCNCCOc1cccnc1 adb1131ba5508d4c001efaf388a270f7 [0,2,0,0,0,0|2,0,0]=4 7924 B12R1.8 CCOC/C=C/c1ccccc1 6f0f2808fd7750fbafef94eda36a57cc [0,2,0,0,0,0|0,0,2]=4 7925 B12R1.8 CCOC/C=C\c1ccccc1 718b8db828f50aaf9df65554f6d18358 [0,2,0,0,0,0|0,0,2]=4 7926 B12R1.8 CCOCC#Cc1ccccc1 a3a92c3f297e8d8da3f37815c5bdf50e [0,2,0,0,0,0|0,0,2]=4 7927 B12R1.8 CCOCC=Cc1ccccc1 ea6af70ca1c55ffae7ca4fca9bfef55c [0,2,0,0,0,0|0,0,2]=4 7928 B12R1.8 CCOCCCC1=CCC=CC1 c736e524db2f6bc6d387404d01ab523e [0,2,0,0,0,0|0,0,2]=4 7929 B12R1.8 CCOCCCc1ccccc1 95c4d5e38aabc377fa248d955f0dc679 [0,2,0,0,0,0|0,0,0]=2 7930 B12R1.8 CCOCCCc1ccccn1 859085eeaedc4a3c650b307e46d76a73 [0,2,0,0,0,0|1,0,0]=3 7931 B12R1.8 CCOCCCc1cccnc1 5173637fbf4b8276cf79cd9d0837d422 [0,2,0,0,0,0|1,0,0]=3 7932 B12R1.8 CCOCCCc1ccncc1 48fe4d63de940c0c26169b537e6586f9 [0,2,0,0,0,0|1,0,0]=3 7933 B12R1.8 CCOCCCc1cnccn1 96377e577044f54d4eefcfd8ca347005 [0,2,0,0,0,0|2,0,0]=4 7934 B12R1.8 CCOCCCc1ncccn1 91b7e5dbb1003691bde7168b7868a4b2 [0,2,0,0,0,0|2,0,0]=4 7935 B12R1.8 CCOCCNc1ccccc1 d4241708f39fbdf3b0b47b3411df7d4e [0,2,0,0,0,0|1,0,0]=3 7936 B12R1.8 CCOCCNc1ccccn1 c924cdaad90ee79ffea92abd5325e8fd [0,2,0,0,0,0|2,0,0]=4 7937 B12R1.8 CCOCCNc1cccnc1 1e5823b67f834b1b6e334c78d0ca748a [0,2,0,0,0,0|2,0,0]=4 7938 B12R1.8 CCOCCNc1ccncc1 260b7c9e21e5dbc4931cda801e5b3f25 [0,2,0,0,0,0|2,0,0]=4 7939 B12R1.8 CCOCCOc1ccccc1 7cc50880b35d5d523b8ebe021571ca68 [0,2,0,0,0,0|1,0,0]=3 7940 B12R1.8 CCOCCOc1ccccn1 f5da0aa9fa2ad7dc4a95c1eb6c04963e [0,2,0,0,0,0|2,0,0]=4 7941 B12R1.8 CCOCCOc1cccnc1 90da2abbb29c3a2804fd3529fe27903c [0,2,0,0,0,0|2,0,0]=4 7942 B12R1.8 CCOCCOc1ccncc1 58cc63725af75927174d6514028cc9ba [0,2,0,0,0,0|2,0,0]=4 7943 B12R1.8 CCOCCSc1ccccc1 673ed7aececbd7276e2d946a99a864ba [0,2,0,0,0,0|1,0,0]=3 7944 B12R1.8 CCOCCSc1ccccn1 39f6195046a78c2bf820f28d6480fc87 [0,2,0,0,0,0|2,0,0]=4 7945 B12R1.8 CCOCNCc1ccccc1 ad1ac49e8362d6c3a7ef7f4bc168f4ac [0,2,0,0,0,0|1,0,0]=3 7946 B12R1.8 CCOCNCc1ccccn1 ee5ecc87187447710671c4e404ab5d67 [0,2,0,0,0,0|2,0,0]=4 7947 B12R1.8 CCOCNCc1cccnc1 77dc363b01d495a6518051d104958a2f [0,2,0,0,0,0|2,0,0]=4 7948 B12R1.8 CCOCNCc1ccncc1 030d2e2cead04e3196eb6c2ccd092890 [0,2,0,0,0,0|2,0,0]=4 7949 B12R1.8 CCOCOCc1ccccn1 14f99fa0e6d24bdb50dcb8c7585da890 [0,2,0,0,0,0|2,0,0]=4 7950 B12R1.8 CCSCCNc1ccccc1 3aa28a6af03561c4dff60fa2d0f2630b [0,2,0,0,0,0|1,0,0]=3 7951 B12R1.8 CCSCCNc1ccccn1 9ac125fe19f7981ccaa6c3050039d522 [0,2,0,0,0,0|2,0,0]=4 7952 B12R1.8 CCSCCNc1cccnc1 a626c8afe0b69622b1713a0faff348bc [0,2,0,0,0,0|2,0,0]=4 7953 B12R1.8 CCSCCNc1ccncc1 c0b412122d4dc80e66e392673c31ad9c [0,2,0,0,0,0|2,0,0]=4 7954 B12R1.8 CCSCCOc1ccccn1 fb856e4b8d5fc3246866ee7d11418749 [0,2,0,0,0,0|2,0,0]=4 7955 B12R1.8 CCSCCOc1cccnc1 7a1b433bc628cddad8cf57c9341a16cf [0,2,0,0,0,0|2,0,0]=4 7956 B12R1.8 CCSCCOc1ccncc1 39d2441591cd99866c275069dfb9b929 [0,2,0,0,0,0|2,0,0]=4 7957 B12R1.8 COCCCNc1ccccc1 3df3fc4fbaedb1dd760b4a37be035630 [0,2,0,0,0,0|0,0,0]=2 7958 B12R1.8 COCCCNc1ccccn1 b3704682ea886739d8d3ef30bc747ee7 [0,2,0,0,0,0|1,0,0]=3 7959 B12R1.8 COCCCNc1cccnc1 f137f9251ed366e53ff206e14110778d [0,2,0,0,0,0|1,0,0]=3 7960 B12R1.8 COCCCNc1cccnn1 0867dbc8a1e919f5687237df8b00ee39 [0,2,0,0,0,0|2,0,0]=4 7961 B12R1.8 COCCCNc1ccncc1 c41a6489b75ed922ab6364283a988c83 [0,2,0,0,0,0|1,0,0]=3 7962 B12R1.8 COCCCNc1ccncn1 23de1961866255004167f81da3017c08 [0,2,0,0,0,0|2,0,0]=4 7963 B12R1.8 COCCCNc1ccnnc1 482d48d22282b092d142b326295e5759 [0,2,0,0,0,0|2,0,0]=4 7964 B12R1.8 COCCCNc1cnccn1 90e3e9e86ab90ed9e921777b834fa746 [0,2,0,0,0,0|2,0,0]=4 7965 B12R1.8 COCCCNc1cncnc1 7ce6f66e60b032ca0a02dd16d577dba6 [0,2,0,0,0,0|2,0,0]=4 7966 B12R1.8 COCCCNc1ncccn1 480c5a81b857b38c618cd05b3f52a0d1 [0,2,0,0,0,0|2,0,0]=4 7967 B12R1.8 COCCCOc1ccccn1 43bfda6a85c42f66b9ce84c1adba5682 [0,2,0,0,0,0|1,0,0]=3 7968 B12R1.8 COCCCOc1cccnc1 ec958672fe26ba1a178ae65969d24489 [0,2,0,0,0,0|1,0,0]=3 7969 B12R1.8 COCCCOc1ccncc1 e5daa8a0ea56b79b7618cce89f1cbf45 [0,2,0,0,0,0|1,0,0]=3 7970 B12R1.8 COCCCOc1ccnnc1 de835978fbdf9eda775885fc2041c619 [0,2,0,0,0,0|2,0,0]=4 7971 B12R1.8 COCCCOc1cnccn1 4f95f96243168ed43dbf37c4d9fe539d [0,2,0,0,0,0|2,0,0]=4 7972 B12R1.8 COCCCOc1cncnc1 c2af0f3c2761f8294132e0cfd27af0ba [0,2,0,0,0,0|2,0,0]=4 7973 B12R1.8 COCCCOc1ncccn1 d66ba8a7816f55b7cd98f4a77a3b6b45 [0,2,0,0,0,0|2,0,0]=4 7974 B12R1.8 COCCNCc1ccccc1 8a36d3044a8140246d8590cb65467526 [0,2,0,0,0,0|0,0,0]=2 7975 B12R1.8 COCCNCc1ccccn1 3f19c45c0ff011efc1b5c3ee20b6b35e [0,2,0,0,0,0|1,0,0]=3 7976 B12R1.8 COCCNCc1cccnc1 daeeb1b2dd3039141ded10f95692d744 [0,2,0,0,0,0|1,0,0]=3 7977 B12R1.8 COCCNCc1cccnn1 a3daf10b8adf2cf4d79827dc7ea4a6f3 [0,2,0,0,0,0|2,0,0]=4 7978 B12R1.8 COCCNCc1ccncc1 92207752fd88ce5ce5c8380c92f4a083 [0,2,0,0,0,0|1,0,0]=3 7979 B12R1.8 COCCNCc1ccncn1 0d6b868d49b753831674cc5f72e15b3d [0,2,0,0,0,0|2,0,0]=4 7980 B12R1.8 COCCNCc1ccnnc1 97877682aba2997329d71d8db4517a75 [0,2,0,0,0,0|2,0,0]=4 7981 B12R1.8 COCCNCc1cnccn1 d0b6464b1143809f82269d8dad799fee [0,2,0,0,0,0|2,0,0]=4 7982 B12R1.8 COCCNCc1cncnc1 dfc8973741d21af3b66e8a5a334d4a29 [0,2,0,0,0,0|2,0,0]=4 7983 B12R1.8 COCCNCc1ncccn1 3fc29e851ff60de01e407a1881432eb4 [0,2,0,0,0,0|2,0,0]=4 7984 B12R1.8 COCCOCc1ccccc1 b9f846e77ac1098b75510b938c502133 [0,2,0,0,0,0|0,0,0]=2 7985 B12R1.8 COCCOCc1ccccn1 86c9ea446a5f0c2dbf739a9c1ec4af6f [0,2,0,0,0,0|1,0,0]=3 7986 B12R1.8 COCCOCc1cccnc1 317f931a4364675768525b7f79270a0e [0,2,0,0,0,0|1,0,0]=3 7987 B12R1.8 COCCOCc1cccnn1 6408daff7922ff99d328664433bb04e5 [0,2,0,0,0,0|2,0,0]=4 7988 B12R1.8 COCCOCc1ccncc1 777776af9843b5789a5e9b603c11672b [0,2,0,0,0,0|1,0,0]=3 7989 B12R1.8 COCCOCc1ccncn1 59ec7095bcafcd2ebc843842861ad8b2 [0,2,0,0,0,0|2,0,0]=4 7990 B12R1.8 COCCOCc1ccnnc1 f7c7ecd9a959a29af49aff3bfc077589 [0,2,0,0,0,0|2,0,0]=4 7991 B12R1.8 COCCOCc1cnccn1 02c82acf474fda95b7a7a381228a4ada [0,2,0,0,0,0|2,0,0]=4 7992 B12R1.8 COCCOCc1cncnc1 1823843e1e532cf8f5b2bd4dceb2b802 [0,2,0,0,0,0|2,0,0]=4 7993 B12R1.8 COCCOCc1ncccn1 04048f4ff54770269cf5dda97ff92668 [0,2,0,0,0,0|2,0,0]=4 7994 B12R1.8 COCNCCc1ccccc1 a912e7467b1cfbc21e322d32a6dcd9f6 [0,2,0,0,0,0|0,0,0]=2 7995 B12R1.8 COCNCCc1ccccn1 d2388531e21389a0bbeb6695b6cea49d [0,2,0,0,0,0|1,0,0]=3 7996 B12R1.8 COCNCCc1cccnc1 3064a84f6232ed938ac5d787283e4e47 [0,2,0,0,0,0|1,0,0]=3 7997 B12R1.8 COCNCCc1ccncc1 6b569331b6ff5ac4e281457fad47a423 [0,2,0,0,0,0|1,0,0]=3 7998 B12R1.8 COCNCCc1ccncn1 1a854ed5d386c0daae0e95e611f8fdfc [0,2,0,0,0,0|2,0,0]=4 7999 B12R1.8 COCNCCc1cnccn1 bf87a3331ba42ace588710d5b4856175 [0,2,0,0,0,0|2,0,0]=4 8000 B12R1.8 COCNCCc1ncccn1 8fba07c89cace42bbb581fd44efdd301 [0,2,0,0,0,0|2,0,0]=4 8001 B12R1.8 COCOCCc1ccccc1 770adb91b0343cd94d912838fb402d30 [0,2,0,0,0,0|0,0,0]=2 8002 B12R1.8 COCOCCc1ccccn1 844ec6012059e3e290cbbc2ae5f59230 [0,2,0,0,0,0|1,0,0]=3 8003 B12R1.8 COCOCCc1cccnc1 9d4fdcdb68f5067a05286e77e6f5164f [0,2,0,0,0,0|1,0,0]=3 8004 B12R1.8 COCOCCc1ccncc1 2305f86484e3fbdb87c5f93fceb814cd [0,2,0,0,0,0|1,0,0]=3 8005 B12R1.8 COCOCCc1ccncn1 748dcf5b02a15aaeacebf409cccd24eb [0,2,0,0,0,0|2,0,0]=4 8006 B12R1.8 COCOCCc1cnccn1 5608489fa47adaf76825900029a862da [0,2,0,0,0,0|2,0,0]=4 8007 B12R1.8 COCOCCc1cncnc1 460c7b5d38cd9aea31f9dc754bb3a431 [0,2,0,0,0,0|2,0,0]=4 8008 B12R1.8 COCOCCc1ncccn1 d724c05e27dfc7afdcc3f434b6962bf3 [0,2,0,0,0,0|2,0,0]=4 8009 B12R1.8 CSCCCNc1ccccc1 4e1411f18abc16ae61e9748ad3fe9913 [0,2,0,0,0,0|0,1,0]=3 8010 B12R1.8 CSCCCNc1ccccn1 80fd9025455749dcd8da4ebce8a4f0a8 [0,2,0,0,0,0|1,1,0]=4 8011 B12R1.8 CSCCCNc1cccnc1 a65744a1c0bfc4ffc8f90d3d751e8fd9 [0,2,0,0,0,0|1,1,0]=4 8012 B12R1.8 CSCCCNc1ccncc1 8937538f26cbfac38fa144dc16ba30f6 [0,2,0,0,0,0|1,1,0]=4 8013 B12R1.8 CSCCCOc1ccccn1 3ffe432bdcd1a250a9ca21e1fd86b1e9 [0,2,0,0,0,0|1,1,0]=4 8014 B12R1.8 CSCCCOc1cccnc1 86df670b3262b86521b899f8575ac879 [0,2,0,0,0,0|1,1,0]=4 8015 B12R1.8 CSCCCOc1ccncc1 55e2a767f068d3518a4625983214ce1a [0,2,0,0,0,0|1,1,0]=4 8016 B12R1.8 CSCCNCc1ccccc1 0d4e7f51d968ec32ec790202ae2a515e [0,2,0,0,0,0|0,1,0]=3 8017 B12R1.8 CSCCNCc1ccccn1 1637bb4fe5437c10ef5060198d868124 [0,2,0,0,0,0|1,1,0]=4 8018 B12R1.8 CSCCNCc1cccnc1 ecfab7d8e375ad1f8b77b31b8d0610f7 [0,2,0,0,0,0|1,1,0]=4 8019 B12R1.8 CSCCNCc1ccncc1 51ffe14c2037889bed6c70473f493ea0 [0,2,0,0,0,0|1,1,0]=4 8020 B12R1.8 CSCCOCc1ccccc1 84c183c4a4472a4f34bccedb678bad7b [0,2,0,0,0,0|0,1,0]=3 8021 B12R1.8 CSCCOCc1ccccn1 4347aa5a5271fb25a5cc77c30dfa8a82 [0,2,0,0,0,0|1,1,0]=4 8022 B12R1.8 CSCCOCc1cccnc1 2805e860271ae018830b9c6b9d160171 [0,2,0,0,0,0|1,1,0]=4 8023 B12R1.8 CSCCOCc1ccncc1 da1bc6e1cdfc850ef0acdf1a6cc8da23 [0,2,0,0,0,0|1,1,0]=4 8024 B12R1.8 CSCNCCc1ccccc1 8cb9946ee650f17d4a684e0a1795e862 [0,2,0,0,0,0|0,1,0]=3 8025 B12R1.8 CSCNCCc1ccccn1 1805bded532b1b9756c352b14606e2a1 [0,2,0,0,0,0|1,1,0]=4 8026 B12R1.8 CSCNCCc1cccnc1 a572540020592b533113991945b4ad18 [0,2,0,0,0,0|1,1,0]=4 8027 B12R1.8 CSCNCCc1ccncc1 03b3401fdb1cdeb25dbd38f4797d54c8 [0,2,0,0,0,0|1,1,0]=4 8028 B12R1.8 CSCOCCc1ccccc1 ae45fc1dadd522ae78b6ec0b53b58cbe [0,2,0,0,0,0|0,1,0]=3 8029 B12R1.8 CSCOCCc1ccccn1 40581d5eea60828490877c6330a8a9e0 [0,2,0,0,0,0|1,1,0]=4 8030 B12R1.8 CSCOCCc1cccnc1 f9735501f5c0f5766f3d2359d2e2e003 [0,2,0,0,0,0|1,1,0]=4 8031 B12R1.8 CSCOCCc1ccncc1 0eb83f8787ae71ed3ae7d5be71f64369 [0,2,0,0,0,0|1,1,0]=4 8032 B12R1.8 Cl/C=C/CNCc1ccccc1 a8bbb089bed3b2a5f6790add18c02ea9 [0,2,0,0,0,0|1,0,1]=4 8033 B12R1.8 Cl/C=C/COCc1ccccc1 39b96fd9c849369483b32d20bd300028 [0,2,0,0,0,0|1,0,1]=4 8034 B12R1.8 Cl/C=C\CNCc1ccccc1 e1a2a29c75c0d3cbf63e02bd9dd9f68f [0,2,0,0,0,0|1,0,1]=4 8035 B12R1.8 Cl/C=C\COCc1ccccc1 469db4a6443d937d123185062feb7af0 [0,2,0,0,0,0|1,0,1]=4 8036 B12R1.8 ClC=CCOCc1ccccc1 c5abd2a914006a75903d903e7480679b [0,2,0,0,0,0|1,0,1]=4 8037 B12R1.8 ClCCCCNc1ccccc1 8d4b10d9b5325336494f2a30a6b84cc2 [0,2,0,0,0,0|1,0,0]=3 8038 B12R1.8 ClCCCCNc1ccccn1 91d68bf25a8019630edf3def244c8724 [0,2,0,0,0,0|2,0,0]=4 8039 B12R1.8 ClCCCCNc1cccnc1 b8f5fa4e5c888fdc44d8ce08412f3c22 [0,2,0,0,0,0|2,0,0]=4 8040 B12R1.8 ClCCCCNc1ccncc1 cb55373bcc657a348b8951479b216fc6 [0,2,0,0,0,0|2,0,0]=4 8041 B12R1.8 ClCCCNCc1ccccc1 8f799c9e441fd632be62e26270cf2f35 [0,2,0,0,0,0|1,0,0]=3 8042 B12R1.8 ClCCCNCc1ccccn1 96ae9d70c035a2cbcba2fe24aaa3ffdc [0,2,0,0,0,0|2,0,0]=4 8043 B12R1.8 ClCCCNCc1cccnc1 fcf275c1364e995d69fad995850b6783 [0,2,0,0,0,0|2,0,0]=4 8044 B12R1.8 FCCCCNc1ccccc1 8c2145855632f0dc060333e90dbf6d6e [0,2,0,0,0,0|1,0,0]=3 8045 B12R1.8 FCCCCNc1ccccn1 3356af4d3cce46c847f383ba1fe33929 [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.8 FCCCCNc1cccnc1 b306cc7c8a3a8e54e4f76d4c4c74a414 [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.8 FCCCCNc1ccncc1 17fb431f81c580930a43fc057d4535ce [0,2,0,0,0,0|2,0,0]=4 8048 B12R1.8 FCCCCOc1ccccn1 e938132a19c063e02459ae67d61d9932 [0,2,0,0,0,0|2,0,0]=4 8049 B12R1.8 FCCCCOc1cccnc1 92a78db328bafeeb72a2e3ae6c8f7d1f [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.8 FCCCCOc1ccncc1 221ca4fd54d414d4099f0fe213bb84d9 [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.8 FCCCNCc1ccccc1 6d1372e4372415cb5d41d01b1ced7571 [0,2,0,0,0,0|1,0,0]=3 8052 B12R1.8 FCCCNCc1ccccn1 bebe8fe2bd3d1beb1ac8cad20fd3191a [0,2,0,0,0,0|2,0,0]=4 8053 B12R1.8 FCCCNCc1cccnc1 3a0a9a1e19f91aff9afdabecf3e6a9e9 [0,2,0,0,0,0|2,0,0]=4 8054 B12R1.8 FCCCNCc1ccncc1 d030deda5d995fc17634727b2c2c397b [0,2,0,0,0,0|2,0,0]=4 8055 B12R1.8 FCCCOCc1ccccc1 ec8c223bdd42642bcadc9c3ef97f9c25 [0,2,0,0,0,0|1,0,0]=3 8056 B12R1.8 FCCCOCc1ccccn1 528370285b3b5e280a7693ede1e62dba [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.8 FCCCOCc1cccnc1 6f562313b06d2fd995c9386f7d544539 [0,2,0,0,0,0|2,0,0]=4 8058 B12R1.8 FCCCOCc1ccncc1 b7003999f3576cc06c45595be50b086d [0,2,0,0,0,0|2,0,0]=4 8059 B12R1.8 FCCNCCc1ccccc1 361355d651ba3401fa85cac238cfdb0b [0,2,0,0,0,0|1,0,0]=3 8060 B12R1.8 FCCNCCc1ccccn1 29c8a9f54fc2a477b50973596a269acb [0,2,0,0,0,0|2,0,0]=4 8061 B12R1.8 FCCNCCc1cccnc1 58b2ab7fc620968122c80079c047b73c [0,2,0,0,0,0|2,0,0]=4 8062 B12R1.8 FCCNCCc1ccncc1 3811375e5c5f5ffb86663c4d7bd351e7 [0,2,0,0,0,0|2,0,0]=4 8063 B12R1.8 FCCNCSc1ccccc1 b99d60c0fc5df8022ed05538b8ad6f86 [0,2,0,0,0,0|1,0,0]=3 8064 B12R1.8 FCCOCCc1ccccc1 3b5b20f3626d4389ca61c96c4166e57a [0,2,0,0,0,0|1,0,0]=3 8065 B12R1.8 FCCOCCc1ccccn1 656fc26896d540955c618d694ea4c322 [0,2,0,0,0,0|2,0,0]=4 8066 B12R1.8 FCCOCCc1cccnc1 957482671423f2e3d0589e435774cdc9 [0,2,0,0,0,0|2,0,0]=4 8067 B12R1.8 FCCOCCc1ccncc1 8f3402e3aabc7209bdcae575065e4e1c [0,2,0,0,0,0|2,0,0]=4 8068 B12R1.8 FCNC/C=C/c1ccccc1 2bd6454aefec602d932c676852044d0c [0,2,0,0,0,0|1,0,1]=4 8069 B12R1.8 FCNCC#Cc1ccccc1 80dd9405d00768793c93791da63566d4 [0,2,0,0,0,0|1,0,1]=4 8070 B12R1.8 FCNCCCc1ccccc1 36413a7a64ebaf0c06144ade57dac471 [0,2,0,0,0,0|1,0,0]=3 8071 B12R1.8 FCNCCCc1ccccn1 540e815b69c598f8c06e83b81e832380 [0,2,0,0,0,0|2,0,0]=4 8072 B12R1.8 FCNCCCc1cccnc1 14b609c05aa718f62169111db8c3db9d [0,2,0,0,0,0|2,0,0]=4 8073 B12R1.8 FCNCCCc1ccncc1 7f07567512e5a743ace3f4492421eca1 [0,2,0,0,0,0|2,0,0]=4 8074 B12R1.8 FCNCCOc1ccccc1 614b328619e3beb87099bb0fb4ee3fbb [0,2,0,0,0,0|1,0,0]=3 8075 B12R1.8 FCNCCOc1ccccn1 8fef6c9e6106f1034aa0e60b7ac4c87c [0,2,0,0,0,0|2,0,0]=4 8076 B12R1.8 FCNCCOc1cccnc1 71ce51564f6ee9c66c19ccbcc27b3a08 [0,2,0,0,0,0|2,0,0]=4 8077 B12R1.8 FCOC/C=C/c1ccccc1 a4ace31f3457e43155aba22e2e859991 [0,2,0,0,0,0|0,0,2]=4 8078 B12R1.8 FCOC/C=C\c1ccccc1 a5a4d25cd2921992c3f2dc18a83060fd [0,2,0,0,0,0|0,0,2]=4 8079 B12R1.8 FCOCC#Cc1ccccc1 c9130dfcc2836a2b12a5478aa9ea4062 [0,2,0,0,0,0|0,0,2]=4 8080 B12R1.8 FCOCC=Cc1ccccc1 bab31968052d6c59ffd956383ce13de4 [0,2,0,0,0,0|0,0,2]=4 8081 B12R1.8 FCOCCCC1=CCC=CC1 1294cfccca94eb93dcc9ddacbc4f99bf [0,2,0,0,0,0|0,0,2]=4 8082 B12R1.8 FCOCCCc1ccccc1 337af886dc35840fb3b320f6a2c82837 [0,2,0,0,0,0|0,0,0]=2 8083 B12R1.8 FCOCCCc1ccccn1 2e559e01a296a0de86a304e4360dee8e [0,2,0,0,0,0|1,0,0]=3 8084 B12R1.8 FCOCCCc1cccnc1 f5369d800374823eaa516c7467969e5a [0,2,0,0,0,0|1,0,0]=3 8085 B12R1.8 FCOCCCc1ccncc1 466da5d2d1e40cb9128dbe68f0c0cf6c [0,2,0,0,0,0|1,0,0]=3 8086 B12R1.8 FCOCCCc1cnccn1 1acdc5c948d16d48f25b61dcd252d6d5 [0,2,0,0,0,0|2,0,0]=4 8087 B12R1.8 FCOCCCc1ncccn1 54706bbc33e999a8038b2346d9e3ee82 [0,2,0,0,0,0|2,0,0]=4 8088 B12R1.8 FCOCCOc1ccccc1 f1abda8c43f206c81b6519331a77e9c9 [0,2,0,0,0,0|1,0,0]=3 8089 B12R1.8 FCOCCOc1cccnc1 63d5c53b289a490c3dc2320772db4d74 [0,2,0,0,0,0|2,0,0]=4 8090 B12R1.8 FCOCCOc1ccncc1 c9a59edb4c51aa54314ea4ee27540b28 [0,2,0,0,0,0|2,0,0]=4 8091 B12R1.8 FCOCCSc1ccccc1 ccf72dbc5c74c757f9876ec0c6e08012 [0,2,0,0,0,0|1,0,0]=3 8092 B12R1.8 FCOCCSc1ccccn1 40bbc0f60728ea96d5ae43f17a068fff [0,2,0,0,0,0|2,0,0]=4 8093 B12R1.8 IC#CCOCc1ccccc1 3a5655442d34ea5643fd66afc2663d8e [0,2,0,0,0,0|1,0,1]=4 8094 B12R1.8 ICCNCCc1ccccc1 3d43af0eb4bc8ed1c19be50fd2591b44 [0,2,0,0,0,0|1,0,0]=3 8095 B12R1.8 ICCNCCc1ccccn1 3a2513367ab7cf9a5f37f82491c73a54 [0,2,0,0,0,0|2,0,0]=4 8096 B12R1.8 ICCNCCc1cccnc1 9a37b912cff3420349bcdd29b8da0796 [0,2,0,0,0,0|2,0,0]=4 8097 B12R1.8 ICCNCCc1ccncc1 693c40e0cf7891ad91fdd11c327b86d3 [0,2,0,0,0,0|2,0,0]=4 8098 B12R1.8 N#CCCCNc1ccccc1 b63d3fad690b955214294824bdee6b3a [0,2,0,0,0,0|1,0,0]=3 8099 B12R1.8 N#CCCCNc1ccccn1 7b9975779e2248387eea03c8b9a0d3d5 [0,2,0,0,0,0|2,0,0]=4 8100 B12R1.8 N#CCCCNc1cccnc1 2eb28a915aa5255077884377a2a8687e [0,2,0,0,0,0|2,0,0]=4 8101 B12R1.8 N#CCCCNc1ccncc1 b907408c38ed6c4869c55580ab216d72 [0,2,0,0,0,0|2,0,0]=4 8102 B12R1.8 N#CCCCOc1ccccn1 54d86eead3e87e3254bcacec6892070b [0,2,0,0,0,0|2,0,0]=4 8103 B12R1.8 N#CCCCOc1cccnc1 b0738d8d8f8300428ed378b8a292bca3 [0,2,0,0,0,0|2,0,0]=4 8104 B12R1.8 N#CCCCOc1ccncc1 6552306ed346c99a18f3d77063f07066 [0,2,0,0,0,0|2,0,0]=4 8105 B12R1.8 N#CCCNCc1ccccc1 4d72f08df781a4a97f9c75c6cad34723 [0,2,0,0,0,0|1,0,0]=3 8106 B12R1.8 N#CCCNCc1ccccn1 84562c84373ae0a4f2ec4ac5d995d569 [0,2,0,0,0,0|2,0,0]=4 8107 B12R1.8 N#CCCNCc1cccnc1 f83c44c674568c41989c0d1cfce8e987 [0,2,0,0,0,0|2,0,0]=4 8108 B12R1.8 N#CCCNCc1ccncc1 c2c5273f84cf13a2145814f248590d55 [0,2,0,0,0,0|2,0,0]=4 8109 B12R1.8 N#CCCOCc1ccccc1 ee4f67be7b7a1f02f3abb23db1d228e3 [0,2,0,0,0,0|1,0,0]=3 8110 B12R1.8 N#CCCOCc1ccccn1 8378ddb820596415e545c88dfc8ce857 [0,2,0,0,0,0|2,0,0]=4 8111 B12R1.8 N#CCCOCc1cccnc1 c898be53cb842aa69473c9b0cf3e4220 [0,2,0,0,0,0|2,0,0]=4 8112 B12R1.8 N#CCCOCc1ccncc1 c01b20ab0259cc01daea3bc1814ff82e [0,2,0,0,0,0|2,0,0]=4 8113 B12R1.8 N#CCNCCc1ccccc1 196965f1ea9924e72f23b610f5ed5162 [0,2,0,0,0,0|1,0,0]=3 8114 B12R1.8 N#CCNCCc1ccccn1 163b09df21cb199dae55caf11c578544 [0,2,0,0,0,0|2,0,0]=4 8115 B12R1.8 N#CCNCCc1cccnc1 16954d72667e4e911286fe1fd74ebb45 [0,2,0,0,0,0|2,0,0]=4 8116 B12R1.8 N#CCNCCc1ccncc1 f33c4f1b8764efe9a51017b3091f844f [0,2,0,0,0,0|2,0,0]=4 8117 B12R1.8 N#CCOCCc1ccccc1 f710fd753c514569a7e1cf024d236cec [0,2,0,0,0,0|1,0,0]=3 8118 B12R1.8 N#CCOCCc1ccccn1 bafea33941ce33ee97bd85bc178ec803 [0,2,0,0,0,0|2,0,0]=4 8119 B12R1.8 N#CCOCCc1cccnc1 a4b9574a0b1ee7ba313ef820951e599b [0,2,0,0,0,0|2,0,0]=4 8120 B12R1.8 N#CCOCCc1ccncc1 dec3d816ca7a83e94887dcead2c5e606 [0,2,0,0,0,0|2,0,0]=4 8121 B12R1.8 N#CNCCCc1ccccc1 c15a86ec4727013e594da04c9a6943f6 [0,2,0,0,0,0|1,0,0]=3 8122 B12R1.8 N#CNCCCc1ccccn1 605e80d923f8e9ee00ace4725eaea567 [0,2,0,0,0,0|2,0,0]=4 8123 B12R1.8 N#CNCCCc1cccnc1 a1a8537c06bfb7abe218a23b35553f23 [0,2,0,0,0,0|2,0,0]=4 8124 B12R1.8 N#CNCCCc1ccncc1 6d4e3f7e117001a95f87f00cca313381 [0,2,0,0,0,0|2,0,0]=4 8125 B12R1.8 N#CNCCOc1ccccc1 370aac6fd6825ccf4ffebf30b2c8d324 [0,2,0,0,0,0|1,0,1]=4 8126 B12R1.8 N#CNCCSc1ccccc1 8e4cbfdfd619fcaee033a00c63065969 [0,2,0,0,0,0|1,0,1]=4 8127 B12R1.8 N#CSCNCc1ccccc1 15907aa219680e609c9dcf7b05128d0a [0,2,0,0,0,0|1,0,1]=4 8128 B12R1.8 N#CSCOCc1ccccc1 c07dfa541610d51d167cd19caa0ddf16 [0,2,0,0,0,0|1,0,1]=4 8129 B12R1.8 NOCCNCc1ccccc1 c44b16f502caeb4e0911ea1065c9b2b0 [0,2,0,0,0,0|0,0,0]=2 8130 B12R1.8 NOCCNCc1ccccn1 165a31a3ac0fc53401699a7491732285 [0,2,0,0,0,0|1,0,0]=3 8131 B12R1.8 NOCCNCc1cccnc1 111a2fd5342dcf2c1ab9382f67cce52f [0,2,0,0,0,0|1,0,0]=3 8132 B12R1.8 NOCCNCc1cccnn1 8154812b76167235bdba7cd86b7dea16 [0,2,0,0,0,0|2,0,0]=4 8133 B12R1.8 NOCCNCc1ccncn1 cdc73443ae0425b205da6b8bc65eb0a6 [0,2,0,0,0,0|2,0,0]=4 8134 B12R1.8 NOCCNCc1cncnc1 5631aef98714620952500d52acf7b8b7 [0,2,0,0,0,0|2,0,0]=4 8135 B12R1.8 NOCCNCc1ncccn1 ab1a3f1359ced66b27a92ea477de43d6 [0,2,0,0,0,0|2,0,0]=4 8136 B12R1.8 O/C=C\CNCc1ccccc1 cc7ffd2c4974e7fdfe8e66473dde0504 [0,2,0,0,0,0|0,0,1]=3 8137 B12R1.8 O/C=C\CNCc1ccccn1 697d371fb7988146e4e661e4ba711945 [0,2,0,0,0,0|1,0,1]=4 8138 B12R1.8 O/C=C\CNCc1cccnc1 1b127bcedabb68854c46a8dc71a531d8 [0,2,0,0,0,0|1,0,1]=4 8139 B12R1.8 O/C=C\CNCc1ccncc1 e1733e2bf9fad3b01d3077b0d7192fe2 [0,2,0,0,0,0|1,0,1]=4 8140 B12R1.8 O=CCCCNc1ccccc1 2c85f0734b2940921a92b997758dfb5d [0,2,0,0,0,0|0,0,1]=3 8141 B12R1.8 O=CCCCNc1ccccn1 375fb3783e47017e4d61698f1246742e [0,2,0,0,0,0|1,0,1]=4 8142 B12R1.8 O=CCCCNc1cccnc1 4b4d6b218a9aeb18716bec3779cad86a [0,2,0,0,0,0|1,0,1]=4 8143 B12R1.8 O=CCCCNc1ccncc1 dd0c220a180c1ed31735a2633faee6c3 [0,2,0,0,0,0|1,0,1]=4 8144 B12R1.8 O=CCCCOc1ccccn1 8f20a04e1a00678c31945d8e4b63032d [0,2,0,0,0,0|1,0,1]=4 8145 B12R1.8 O=CCCCOc1cccnc1 792b7b77b17587b97d158e5f75ddfd74 [0,2,0,0,0,0|1,0,1]=4 8146 B12R1.8 O=CCCCOc1ccncc1 aaa8fc776dc6857d670cb178ec246522 [0,2,0,0,0,0|1,0,1]=4 8147 B12R1.8 O=CCCNCc1ccccc1 c74469b4a98525e28c41fd68e9d4e654 [0,2,0,0,0,0|0,0,1]=3 8148 B12R1.8 O=CCCNCc1ccccn1 2928127fee0430861fe18b9de93f9724 [0,2,0,0,0,0|1,0,1]=4 8149 B12R1.8 O=CCCNCc1cccnc1 9e766e4dfb7e716ba93104c7aee2935d [0,2,0,0,0,0|1,0,1]=4 8150 B12R1.8 O=CCCNCc1ccncc1 440affb2ec176bb1ee0e66c8d16d458c [0,2,0,0,0,0|1,0,1]=4 8151 B12R1.8 O=CCCOCc1ccccc1 ac3f888cccae65d1996a84a27a558161 [0,2,0,0,0,0|0,0,1]=3 8152 B12R1.8 O=CCCOCc1ccccn1 452c44763d9f43cf0876ba3272ee4abb [0,2,0,0,0,0|1,0,1]=4 8153 B12R1.8 O=CCCOCc1cccnc1 c7fa357a1ab2c75fd273ac45039093bb [0,2,0,0,0,0|1,0,1]=4 8154 B12R1.8 O=CCCOCc1ccncc1 151e83481fa8199058f29b2013bc9d37 [0,2,0,0,0,0|1,0,1]=4 8155 B12R1.8 O=CCNCCc1ccccc1 7b8a13082bcfdef296ce3280285f19f6 [0,2,0,0,0,0|0,0,1]=3 8156 B12R1.8 O=CCNCCc1ccccn1 2ac86c7ddc23dc7a650d74729fdd57a5 [0,2,0,0,0,0|1,0,1]=4 8157 B12R1.8 O=CCNCCc1cccnc1 10a21dad833997173ac6ff2da6f2fff7 [0,2,0,0,0,0|1,0,1]=4 8158 B12R1.8 O=CCNCCc1ccncc1 e5023107192b9af110dd8c385e94dc72 [0,2,0,0,0,0|1,0,1]=4 8159 B12R1.8 O=CCOCCc1ccccc1 2441de9de85249e6953e55d007d8182d [0,2,0,0,0,0|0,0,1]=3 8160 B12R1.8 O=CCOCCc1ccccn1 0361d1c3b5a1b9e1a7dbd5d2dbfa21cd [0,2,0,0,0,0|1,0,1]=4 8161 B12R1.8 O=CCOCCc1cccnc1 b120f3118bc37a8fece5520b578800cd [0,2,0,0,0,0|1,0,1]=4 8162 B12R1.8 O=CCOCCc1ccncc1 055376845214955ee414dd345ed69eb9 [0,2,0,0,0,0|1,0,1]=4 8163 B12R1.8 O=CNCCCc1ccccc1 538cecde6b0a6e38513d6c405409a280 [0,2,0,0,0,0|0,0,1]=3 8164 B12R1.8 O=CNCCCc1ccccn1 20faf153a86b580fc193b19310f729ce [0,2,0,0,0,0|1,0,1]=4 8165 B12R1.8 O=CNCCCc1cccnc1 c95bfdab8fd3dd8cbdcfefe300f961d6 [0,2,0,0,0,0|1,0,1]=4 8166 B12R1.8 O=CNCCCc1ccncc1 a85894283b1d7fb073da7f2ea1ed9c2a [0,2,0,0,0,0|1,0,1]=4 8167 B12R1.8 O=CNCCOc1ccccc1 1ad225f0f5fffc295476e6f5e4bf57b0 [0,2,0,0,0,0|0,0,2]=4 8168 B12R1.8 OCC#CCNc1ccccc1 ad3ab414545e40c96a0f226567b3debc [0,2,0,0,0,0|0,0,1]=3 8169 B12R1.8 OCC#CCNc1ccccn1 a1e4d08fb97b6b870b7b56c84c9d5091 [0,2,0,0,0,0|1,0,1]=4 8170 B12R1.8 OCC#CCNc1cccnc1 88acdfeb3f1791f4e416fde99da7608a [0,2,0,0,0,0|1,0,1]=4 8171 B12R1.8 OCC#CCNc1ccncc1 cae9f395fb7448dba519260d6e35e24e [0,2,0,0,0,0|1,0,1]=4 8172 B12R1.8 OCCCCNc1ccccc1 2154e665ebfa9ee647e239d5a23b3bbd [0,2,0,0,0,0|0,0,0]=2 8173 B12R1.8 OCCCCNc1ccccn1 13b989e40aa07edcb6de17c9446b591d [0,2,0,0,0,0|1,0,0]=3 8174 B12R1.8 OCCCCNc1cccnc1 27a79c461a1ee6618a6e7fe3cc1d992b [0,2,0,0,0,0|1,0,0]=3 8175 B12R1.8 OCCCCNc1cccnn1 4a4bc79ec6e5b87bdf4bd521b21662e9 [0,2,0,0,0,0|2,0,0]=4 8176 B12R1.8 OCCCCNc1ccncc1 39bc0436bd73ae73ff6d2c17ccd5c512 [0,2,0,0,0,0|1,0,0]=3 8177 B12R1.8 OCCCCNc1ccncn1 48317a0aaf203e9571bbbd2e1d32e0de [0,2,0,0,0,0|2,0,0]=4 8178 B12R1.8 OCCCCNc1ccnnc1 7c9e138f67a9ffcc6633f8a982d41078 [0,2,0,0,0,0|2,0,0]=4 8179 B12R1.8 OCCCCNc1cnccn1 a8d2b7c51175e217473c939acc3ecfae [0,2,0,0,0,0|2,0,0]=4 8180 B12R1.8 OCCCCNc1cncnc1 8ccb3c3e759a7baebe146650938e4b32 [0,2,0,0,0,0|2,0,0]=4 8181 B12R1.8 OCCCCNc1ncccn1 d96b7c1033abf7030424d2088537b99f [0,2,0,0,0,0|2,0,0]=4 8182 B12R1.8 OCCCNCc1ccccc1 1f43a365b69733d9fd54c3f1367679b4 [0,2,0,0,0,0|0,0,0]=2 8183 B12R1.8 OCCCNCc1ccccn1 2db74cd30f61e8e3f9c52c7133bf4507 [0,2,0,0,0,0|1,0,0]=3 8184 B12R1.8 OCCCNCc1cccnc1 b48c3c866d05056f01b31ecc1dce4b1c [0,2,0,0,0,0|1,0,0]=3 8185 B12R1.8 OCCCNCc1cccnn1 a312adbfb55a4df0b5a28a0696338a2a [0,2,0,0,0,0|2,0,0]=4 8186 B12R1.8 OCCCNCc1ccncc1 66e831e14b2dc2dae28ad5f265bc1c0f [0,2,0,0,0,0|1,0,0]=3 8187 B12R1.8 OCCCNCc1ccncn1 8318ec2c75509e4836fa7079b73ea2bb [0,2,0,0,0,0|2,0,0]=4 8188 B12R1.8 OCCCNCc1ccnnc1 d7e5e7f25330d337439e7b904d1e56fd [0,2,0,0,0,0|2,0,0]=4 8189 B12R1.8 OCCCNCc1cnccn1 8ab70361acb42f3be57a58e304209fd3 [0,2,0,0,0,0|2,0,0]=4 8190 B12R1.8 OCCCNCc1cncnc1 7631990e4caef05cb22de01eb344a674 [0,2,0,0,0,0|2,0,0]=4 8191 B12R1.8 OCCCNCc1ncccn1 99082d096c0eafd52f20c6e5b477b288 [0,2,0,0,0,0|2,0,0]=4 8192 B12R1.8 OCCNCCc1ccccc1 6832b0d8880be8700c4d8c29ed63036c [0,2,0,0,0,0|0,0,0]=2 8193 B12R1.8 OCCNCCc1ccccn1 192e21053d8ac918db362a708882a85e [0,2,0,0,0,0|1,0,0]=3 8194 B12R1.8 OCCNCCc1cccnc1 5891d48f724f9c6f3ad1caf0a25a85fd [0,2,0,0,0,0|1,0,0]=3 8195 B12R1.8 OCCNCCc1ccncc1 b842232cc5675331ff05fecfcbf14339 [0,2,0,0,0,0|1,0,0]=3 8196 B12R1.8 OCCNCCc1ccncn1 821a2a913516f407477e46762ca3ff25 [0,2,0,0,0,0|2,0,0]=4 8197 B12R1.8 OCCNCCc1cnccn1 66c83a33710541ada8eae5b6545f4ea1 [0,2,0,0,0,0|2,0,0]=4 8198 B12R1.8 OCCNCCc1ncccn1 c77f116cf00efa0a4f072dd47e42b289 [0,2,0,0,0,0|2,0,0]=4 8199 B12R1.8 OCCNCSc1ccccc1 973e07915013e23c41bc74a1aa466e19 [0,2,0,0,0,0|0,0,0]=2 8200 B12R1.8 OCNC/C=C/c1ccccc1 520f7b9ffc5cf2723b4b289848e239a6 [0,2,0,0,0,0|0,0,1]=3 8201 B12R1.8 OCNCCCc1ccccc1 4af827ec2909e74315445a370a932107 [0,2,0,0,0,0|0,0,0]=2 8202 B12R1.8 OCNCCCc1ccccn1 b4b77985940d9e7029052ba013ff39f2 [0,2,0,0,0,0|1,0,0]=3 8203 B12R1.8 OCNCCCc1cccnc1 5d17832d95f3d6e1e2dbe7e755d7ff68 [0,2,0,0,0,0|1,0,0]=3 8204 B12R1.8 OCNCCCc1ccncc1 fa6c58ba5a5ca30c3e77a7d188a18ade [0,2,0,0,0,0|1,0,0]=3 8205 B12R1.8 OCNCCOc1ccccc1 641239c62160a991f896e082b9cc08e2 [0,2,0,0,0,0|0,0,0]=2 8206 B12R1.8 OCNCCOc1ccccn1 06ebb48d83e2a20777eb8509019ff344 [0,2,0,0,0,0|1,0,0]=3 8207 B12R1.8 OCNCCOc1cccnc1 5fb6f2320c7a223c545e251e709be8a9 [0,2,0,0,0,0|1,0,0]=3 8208 B12R1.8 SCCCCNc1ccccc1 ed2d9d7f95071d0803e58eb2622dd581 [0,2,0,0,0,0|0,1,0]=3 8209 B12R1.8 SCCCCNc1ccccn1 8db86b31e92529d8508911c90bd3155e [0,2,0,0,0,0|1,1,0]=4 8210 B12R1.8 SCCCCNc1cccnc1 1a880ae57e783a38d52938eda41c5ac3 [0,2,0,0,0,0|1,1,0]=4 8211 B12R1.8 SCCCCNc1ccncc1 ec85506b4432e39a7976426b643d3271 [0,2,0,0,0,0|1,1,0]=4 8212 B12R1.8 SCCCNCc1ccccc1 66312e7d4ce4f899347700206744a721 [0,2,0,0,0,0|0,1,0]=3 8213 B12R1.8 SCCCNCc1ccccn1 bc507d54c38f34dd3e4362708255f752 [0,2,0,0,0,0|1,1,0]=4 8214 B12R1.8 SCCCNCc1cccnc1 f92b68cac5fbfc6a7a8fb20332d0deca [0,2,0,0,0,0|1,1,0]=4 8215 B12R1.8 SCCCNCc1ccncc1 930f1152ea81b6ce28440b05e77d9e15 [0,2,0,0,0,0|1,1,0]=4 8216 B12R1.8 SCCCOCc1ccccc1 a40983423638d779f7a71c708a989b8f [0,2,0,0,0,0|0,1,0]=3 8217 B12R1.8 SCCCOCc1ccccn1 89b32eb12d51f5c6bc232ac75f5b9e1c [0,2,0,0,0,0|1,1,0]=4 8218 B12R1.8 SCCCOCc1cccnc1 29020307926ad4edbc3f8479d71e5a01 [0,2,0,0,0,0|1,1,0]=4 8219 B12R1.8 SCCCOCc1ccncc1 292b1f66d09671e748170d605ae04b81 [0,2,0,0,0,0|1,1,0]=4 8220 B12R1.8 SCCNCCc1ccccc1 77f9cf13a4d370b17f1b8a888b3044b3 [0,2,0,0,0,0|0,1,0]=3 8221 B12R1.8 SCCNCCc1ccccn1 ee52ad5cacea42a063542560ca02c6c5 [0,2,0,0,0,0|1,1,0]=4 8222 B12R1.8 SCCNCCc1cccnc1 f05b013db913ccc909ff89417846b387 [0,2,0,0,0,0|1,1,0]=4 8223 B12R1.8 SCCNCCc1ccncc1 ccb9121d287104528c39ff9698fecd48 [0,2,0,0,0,0|1,1,0]=4 8224 B12R1.8 SCCOCCc1ccccc1 622b11be5805e98ac28331a5544396fa [0,2,0,0,0,0|0,1,0]=3 8225 B12R1.8 SCCOCCc1ccccn1 820fc7c612ac0b816564f27a6a32eeec [0,2,0,0,0,0|1,1,0]=4 8226 B12R1.8 SCCOCCc1cccnc1 25c35e21ef3282518885c7aefe7967bd [0,2,0,0,0,0|1,1,0]=4 8227 B12R1.8 SCCOCCc1ccncc1 8cfdbbc980fddb3908df97d939253c99 [0,2,0,0,0,0|1,1,0]=4 8228 B12R1.27 BrCC(Br)CNc1ccccc1 e7e12b5e4c30a5d2720e1014017ec37c [0,2,0,0,0,0|1,0,0]=3 8229 B12R1.27 BrCC(Br)CNc1ccccn1 f6cf2089bf10aa602d3cdacac7c9d312 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.27 BrCC(Br)CNc1cccnc1 2c59232d0724c99794ed52d831828438 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.27 BrCC(Br)CNc1ccncc1 b86162968a69522e7cfe73a7ee0dc87a [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.27 C#CC(C)NCc1ccccc1 0c823c8410acc72523ada4697880703b [0,2,0,0,0,0|1,0,1]=4 8233 B12R1.27 C#CC(C)OCc1ccccc1 f6359202a87cde289007d81369eaa165 [0,2,0,0,0,0|1,0,1]=4 8234 B12R1.27 C#C[C@@H](C)NCc1ccccc1 51fd06b5dc99f337c53516eb04becf75 [0,2,0,0,0,0|1,0,1]=4 8235 B12R1.27 C#C[C@@H](C)OCc1ccccc1 5a1f683c3ddc74682e7065902596ab4b [0,2,0,0,0,0|1,0,1]=4 8236 B12R1.27 C#C[C@H](C)NCc1ccccc1 5c0b47a0f6d5613da204666041aaf216 [0,2,0,0,0,0|1,0,1]=4 8237 B12R1.27 C#C[C@H](C)OCc1ccccc1 760d62af860bc17bf4194987b15f5245 [0,2,0,0,0,0|1,0,1]=4 8238 B12R1.27 C=C(CC)CNc1ccccc1 109c052abdb53f9ddab28ed347d98fd8 [0,2,0,0,0,0|1,0,1]=4 8239 B12R1.27 C=C(CNc1ccccc1)OC bb949f54d2f54d3e6e888faf57686f4e [0,2,0,0,0,0|1,0,1]=4 8240 B12R1.27 C=C(CO)CNc1ccccc1 6dd075951d15cc232b8e7770860ee4cb [0,2,0,0,0,0|0,0,1]=3 8241 B12R1.27 C=C(CO)CNc1ccccn1 6105decc4fd535ea60914c586543371b [0,2,0,0,0,0|1,0,1]=4 8242 B12R1.27 C=C(CO)CNc1cccnc1 0fd79a449234686b43f3fbd5309569ce [0,2,0,0,0,0|1,0,1]=4 8243 B12R1.27 C=C(CO)CNc1ccncc1 b7e5e82015293df9d0487abccba2389f [0,2,0,0,0,0|1,0,1]=4 8244 B12R1.27 C=CC(C)NCc1ccccc1 a2d84df39e96bf4d63bb9a0f31cf21bd [0,2,0,0,0,0|1,0,1]=4 8245 B12R1.27 C=CC(C)OCc1ccccc1 5eba3aa739773a1c08ab0c58859512d1 [0,2,0,0,0,0|1,0,1]=4 8246 B12R1.27 C=CC(O)CNc1ccccc1 e6108fb7cfe75301d4d656a5d5d31162 [0,2,0,0,0,0|1,0,0]=3 8247 B12R1.27 C=CC(O)CNc1ccccn1 38bb823f312b98d5691f547d82dd5a59 [0,2,0,0,0,0|2,0,0]=4 8248 B12R1.27 C=CC(O)CNc1cccnc1 c9f671afde3f30ddf69ac90ee2fa441b [0,2,0,0,0,0|2,0,0]=4 8249 B12R1.27 C=CC(O)CNc1ccncc1 7abcc84a7a158f14616407473c229011 [0,2,0,0,0,0|2,0,0]=4 8250 B12R1.27 C=C[C@H](C)OCc1ccccc1 723c5fd60a5c4ba97fa272fb1c420579 [0,2,0,0,0,0|1,0,1]=4 8251 B12R1.27 CC(C#N)CNc1ccccc1 bca83eb9ab77da1cbd259e8c3d4283ee [0,2,0,0,0,0|1,0,1]=4 8252 B12R1.27 CC(C#N)NCc1ccccc1 a297cbe65f4070e0226da02d61e71151 [0,2,0,0,0,0|1,0,1]=4 8253 B12R1.27 CC(C=O)NCc1ccccc1 52acbe8f861a146c2fae15c546c154ce [0,2,0,0,0,0|0,0,2]=4 8254 B12R1.27 CC(C=O)OCc1ccccc1 dab13d83530825bb9c7bbbb7bc6908d9 [0,2,0,0,0,0|0,0,2]=4 8255 B12R1.27 CC(CF)OCc1ccccc1 c18da580e3dabe7992624a35c25d53e8 [0,2,0,0,0,0|1,0,0]=3 8256 B12R1.27 CC(CF)OCc1ccccn1 0d7b7c864206636c9235d181d09d6b15 [0,2,0,0,0,0|2,0,0]=4 8257 B12R1.27 CC(CF)OCc1cccnc1 dcd165da872903498dbd39f6392c4596 [0,2,0,0,0,0|2,0,0]=4 8258 B12R1.27 CC(CO)CNc1ccccc1 f07a32871260f72c2fb2363a7f611104 [0,2,0,0,0,0|0,0,0]=2 8259 B12R1.27 CC(CO)CNc1ccccn1 9228158f05cdce3bcf2332746a0d5a23 [0,2,0,0,0,0|1,0,0]=3 8260 B12R1.27 CC(CO)CNc1cccnc1 801122522d7c4cbfe437832579f981bf [0,2,0,0,0,0|1,0,0]=3 8261 B12R1.27 CC(CO)CNc1cccnn1 98d1904fab5d41362a075c11e1efa1aa [0,2,0,0,0,0|2,0,0]=4 8262 B12R1.27 CC(CO)CNc1ccncc1 40e833cdc1404a8681b4db576acfe323 [0,2,0,0,0,0|1,0,0]=3 8263 B12R1.27 CC(CO)CNc1ccncn1 b45c3d5b1659b474c15fccd6fbedf12a [0,2,0,0,0,0|2,0,0]=4 8264 B12R1.27 CC(CO)CNc1ccnnc1 78eb7b62c61d117d7bf1280befe623f5 [0,2,0,0,0,0|2,0,0]=4 8265 B12R1.27 CC(CO)CNc1cnccn1 4467f0cfd9c9dbc876a653a533aa52f9 [0,2,0,0,0,0|2,0,0]=4 8266 B12R1.27 CC(CO)CNc1cncnc1 c1db632a973f58d02699cb672a9bc766 [0,2,0,0,0,0|2,0,0]=4 8267 B12R1.27 CC(CO)CNc1ncccn1 201c3fb44aebb48ac9014ffccfbfbea5 [0,2,0,0,0,0|2,0,0]=4 8268 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [0,2,0,0,0,0|0,0,0]=2 8269 B12R1.27 CC(CO)NCc1ccccn1 dc606027ab1cf21842521e3cd6aab041 [0,2,0,0,0,0|1,0,0]=3 8270 B12R1.27 CC(CO)NCc1cccnc1 80adcdefa26a29e6989696dff2f189ce [0,2,0,0,0,0|1,0,0]=3 8271 B12R1.27 CC(CO)NCc1cccnn1 c0ae66a6706b4b09ae7fbfdd61df0b00 [0,2,0,0,0,0|2,0,0]=4 8272 B12R1.27 CC(CO)NCc1ccncc1 9672e7a66b4b38bfe57c10026c0328a2 [0,2,0,0,0,0|1,0,0]=3 8273 B12R1.27 CC(CO)NCc1ccncn1 eeb32be9623ececc3cd1b1108d4a73d9 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.27 CC(CO)NCc1ccnnc1 b000a1f808d028c5c52000e71e5aa2bc [0,2,0,0,0,0|2,0,0]=4 8275 B12R1.27 CC(CO)NCc1cnccn1 c4d9086c3d359aa0fead8d59b651d860 [0,2,0,0,0,0|2,0,0]=4 8276 B12R1.27 CC(CO)NCc1cncnc1 4baf132c2cabed4f1213cc5f82034422 [0,2,0,0,0,0|2,0,0]=4 8277 B12R1.27 CC(CO)NCc1ncccn1 837e97a48ad085370e6b0d812fd567c5 [0,2,0,0,0,0|2,0,0]=4 8278 B12R1.27 CC(CS)OCc1ccccc1 bf9173a456888d57225f0e1203a32c5e [0,2,0,0,0,0|0,1,0]=3 8279 B12R1.27 CC(CS)OCc1ccccn1 d5c25dfa8bcef5c73ff7d0ae8229ced9 [0,2,0,0,0,0|1,1,0]=4 8280 B12R1.27 CC(CS)OCc1cccnc1 c6dbc5eba4423fac160580b226332d7c [0,2,0,0,0,0|1,1,0]=4 8281 B12R1.27 CCC(=O)CNc1ccccc1 8a00a9b87cff2992f22bb204b9e2670f [0,2,0,0,0,0|1,0,1]=4 8282 B12R1.27 CCC(=O)NCc1ccccc1 cd109163e80059e2763660343f9dbe36 [0,2,0,0,0,0|1,0,1]=4 8283 B12R1.27 CCC(C)CNc1ccccc1 fb8ee4288bf8853fd57c8a217184507f [0,2,0,0,0,0|1,0,0]=3 8284 B12R1.27 CCC(C)CNc1ccccn1 6f2b4521dfa3e14ebf77bc9e288b8c6c [0,2,0,0,0,0|2,0,0]=4 8285 B12R1.27 CCC(C)CNc1cccnc1 799d2535ec95c75adc3efc07c94a55e6 [0,2,0,0,0,0|2,0,0]=4 8286 B12R1.27 CCC(C)CNc1ccncc1 1d114bdb53eb8bc5873d9cc0853c5acf [0,2,0,0,0,0|2,0,0]=4 8287 B12R1.27 CCC(C)COc1ccccn1 068a7be24dc7922a67d6964a1394c7d6 [0,2,0,0,0,0|2,0,0]=4 8288 B12R1.27 CCC(C)COc1cccnc1 0c32f61d8566e65294b7d65adcb5b70b [0,2,0,0,0,0|2,0,0]=4 8289 B12R1.27 CCC(C)COc1ccncc1 60b90e0040b7a2f08da03a263d76f7dc [0,2,0,0,0,0|2,0,0]=4 8290 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [0,2,0,0,0,0|1,0,0]=3 8291 B12R1.27 CCC(C)NCc1ccccn1 600531c2c0367b3cbfd9810ef9c18666 [0,2,0,0,0,0|2,0,0]=4 8292 B12R1.27 CCC(C)NCc1cccnc1 03aa38772555301826d5e6a7450f6276 [0,2,0,0,0,0|2,0,0]=4 8293 B12R1.27 CCC(C)NCc1ccncc1 8f2ef9d0f5df7ed3c4b3d292b12e10fb [0,2,0,0,0,0|2,0,0]=4 8294 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [0,2,0,0,0,0|1,0,0]=3 8295 B12R1.27 CCC(C)OCc1ccccn1 cdbc114ff1e98274e0c76d4efba7fd19 [0,2,0,0,0,0|2,0,0]=4 8296 B12R1.27 CCC(C)OCc1cccnc1 48e9afbe8701af90763c0a4646314a57 [0,2,0,0,0,0|2,0,0]=4 8297 B12R1.27 CCC(C)OCc1ccncc1 a48ab0f470a95fc03f35a49430e127c9 [0,2,0,0,0,0|2,0,0]=4 8298 B12R1.27 CCC(O)CNc1ccccc1 3a32ac0a6b49d877750df15cf382268b [0,2,0,0,0,0|1,0,0]=3 8299 B12R1.27 CCC(O)CNc1ccccn1 6864d6686de3983b3129898abd14e11f [0,2,0,0,0,0|2,0,0]=4 8300 B12R1.27 CCC(O)CNc1cccnc1 5ec705eaa989393421bbf1121531428c [0,2,0,0,0,0|2,0,0]=4 8301 B12R1.27 CCC(O)CNc1ccncc1 0b60e4dad8ea5561a0d2716be536ff21 [0,2,0,0,0,0|2,0,0]=4 8302 B12R1.27 CCN(C)CCc1ccccc1 7c4ca4f684c66e96c63c7f2e129ac623 [0,2,0,0,0,0|1,0,0]=3 8303 B12R1.27 CCN(C)CCc1ccccn1 2fc992e6b94f2894c06f88d1be2c6eae [0,2,0,0,0,0|2,0,0]=4 8304 B12R1.27 CCN(C)CCc1cccnc1 8f102e3d75ada77333a942e239825207 [0,2,0,0,0,0|2,0,0]=4 8305 B12R1.27 CCN(C)CCc1ccncc1 b74613155a01263f6023f3efd6abab19 [0,2,0,0,0,0|2,0,0]=4 8306 B12R1.27 CC[C@@H](C)CNc1ccccc1 7adb7de69cc286747885efdd5e0d3ab0 [0,2,0,0,0,0|1,0,0]=3 8307 B12R1.27 CC[C@@H](C)CNc1ccccn1 b147644fe4c42e26e6b4ca990988fc8c [0,2,0,0,0,0|2,0,0]=4 8308 B12R1.27 CC[C@@H](C)CNc1cccnc1 1eb105ddecf8c3249110848ecff4eaa7 [0,2,0,0,0,0|2,0,0]=4 8309 B12R1.27 CC[C@@H](C)CNc1ccncc1 ea454cc837b589ad6fa29f9da9abac60 [0,2,0,0,0,0|2,0,0]=4 8310 B12R1.27 CC[C@@H](C)COc1ccccn1 874982a66f916edcb8896717a7802590 [0,2,0,0,0,0|2,0,0]=4 8311 B12R1.27 CC[C@@H](C)COc1cccnc1 58227191aae01f35afcd7cf132697857 [0,2,0,0,0,0|2,0,0]=4 8312 B12R1.27 CC[C@@H](C)COc1ccncc1 d0894bc1ae7cda042c896f44faa1550c [0,2,0,0,0,0|2,0,0]=4 8313 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [0,2,0,0,0,0|1,0,0]=3 8314 B12R1.27 CC[C@@H](C)NCc1ccccn1 abcbefa3b0b43406c128be8257adf8b2 [0,2,0,0,0,0|2,0,0]=4 8315 B12R1.27 CC[C@@H](C)NCc1cccnc1 b119e02beb918b7f43cb64ab2c69b801 [0,2,0,0,0,0|2,0,0]=4 8316 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [0,2,0,0,0,0|1,0,0]=3 8317 B12R1.27 CC[C@@H](C)OCc1ccccn1 01fb0c2d8a73e699c5cca2351e7c51da [0,2,0,0,0,0|2,0,0]=4 8318 B12R1.27 CC[C@@H](C)OCc1cccnc1 2a740981d9be19ca809d229b469f45a2 [0,2,0,0,0,0|2,0,0]=4 8319 B12R1.27 CC[C@@H](O)CNc1ccccc1 765034dc37ea09fed7d7c3321191febe [0,2,0,0,0,0|1,0,0]=3 8320 B12R1.27 CC[C@@H](O)CNc1cccnc1 804d6049e9a11075b053115d69a8a4fd [0,2,0,0,0,0|2,0,0]=4 8321 B12R1.27 CC[C@@H](O)CNc1ccncc1 d1898f70a0d74eecc26d475907d4eaff [0,2,0,0,0,0|2,0,0]=4 8322 B12R1.27 CC[C@H](C)CNc1ccccc1 1ad1285ada078333483cb7913624769f [0,2,0,0,0,0|1,0,0]=3 8323 B12R1.27 CC[C@H](C)CNc1ccccn1 75c9b55178b9e6cbffbfe52153637e1b [0,2,0,0,0,0|2,0,0]=4 8324 B12R1.27 CC[C@H](C)CNc1cccnc1 2e0a2075fe988129d1dcbf5d21b158ec [0,2,0,0,0,0|2,0,0]=4 8325 B12R1.27 CC[C@H](C)CNc1ccncc1 1476b49c3603a7542420a49c2bf3dc59 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.27 CC[C@H](C)COc1ccccn1 f5b749782758cf24dab04e1718b2b720 [0,2,0,0,0,0|2,0,0]=4 8327 B12R1.27 CC[C@H](C)COc1cccnc1 07e42e29a9d594c30776c88035bd838e [0,2,0,0,0,0|2,0,0]=4 8328 B12R1.27 CC[C@H](C)COc1ccncc1 91877b6a13f619eb114c1ca0ccf0b7a7 [0,2,0,0,0,0|2,0,0]=4 8329 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [0,2,0,0,0,0|1,0,0]=3 8330 B12R1.27 CC[C@H](C)NCc1ccccn1 db87df854d63d8a538c09dd589fcce72 [0,2,0,0,0,0|2,0,0]=4 8331 B12R1.27 CC[C@H](C)NCc1cccnc1 fa7be05a72600688ba61bb2a45c0e2c1 [0,2,0,0,0,0|2,0,0]=4 8332 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [0,2,0,0,0,0|1,0,0]=3 8333 B12R1.27 CC[C@H](C)OCc1ccccn1 095ff59c775b3964aafbd1681dc69b03 [0,2,0,0,0,0|2,0,0]=4 8334 B12R1.27 CC[C@H](C)OCc1cccnc1 dc7942b08bf13064943cbe342b7c887c [0,2,0,0,0,0|2,0,0]=4 8335 B12R1.27 CN(C=O)CCc1ccccc1 9fb02e1cb373d4704048d9ef6c04ee21 [0,2,0,0,0,0|0,0,2]=4 8336 B12R1.27 CN(CF)CCc1ccccc1 af958a660e6bf737d02c2dfab1bc467d [0,2,0,0,0,0|1,0,0]=3 8337 B12R1.27 CN(CF)CCc1ccccn1 e47249cec0a9e47647623cac83a45a8e [0,2,0,0,0,0|2,0,0]=4 8338 B12R1.27 CN(CF)CCc1cccnc1 e55726a3c32e233d630a4f29602b811f [0,2,0,0,0,0|2,0,0]=4 8339 B12R1.27 CN(CF)CCc1ccncc1 6e2d36b26079cda0d2af1bea77a09d35 [0,2,0,0,0,0|2,0,0]=4 8340 B12R1.27 CN(CO)CCc1ccccc1 c9a67cdf713e4c874ec2d63ed5e8590a [0,2,0,0,0,0|0,0,0]=2 8341 B12R1.27 CN(CO)CCc1ccccn1 aa0d4ac6d05fc927494412ee9fe9c7cc [0,2,0,0,0,0|1,0,0]=3 8342 B12R1.27 CN(CO)CCc1cccnc1 b13669a1ddf1ac46ef1460e055843b9e [0,2,0,0,0,0|1,0,0]=3 8343 B12R1.27 CN(CO)CCc1ccncc1 d571b134ccefa2efaeb2d36d2248e45c [0,2,0,0,0,0|1,0,0]=3 8344 B12R1.27 COC(=O)CNc1ccccc1 4732dba1106eb1ebf4644524cb0d5858 [0,2,0,0,0,0|1,0,1]=4 8345 B12R1.27 COC(C)CNc1ccccc1 8b7aea6540e0014f2969161722152c0a [0,2,0,0,0,0|1,0,0]=3 8346 B12R1.27 COC(C)CNc1ccccn1 aa1fffc4826b028b66ca3b6131bb2129 [0,2,0,0,0,0|2,0,0]=4 8347 B12R1.27 COC(C)CNc1cccnc1 22ea1776f5c64fa404e2b1d10875769b [0,2,0,0,0,0|2,0,0]=4 8348 B12R1.27 COC(C)CNc1ccncc1 8583756de850d35d798b9d18e790369d [0,2,0,0,0,0|2,0,0]=4 8349 B12R1.27 COC(C)COc1ccccn1 f8dc8bfeccf22df73c7ed2e356fc48da [0,2,0,0,0,0|2,0,0]=4 8350 B12R1.27 COC(C)COc1cccnc1 9293f71aa0063e3b71a6c85117d16856 [0,2,0,0,0,0|2,0,0]=4 8351 B12R1.27 COC(C)COc1ccncc1 5fbc7e5892edbad02dcb9a66b68a62df [0,2,0,0,0,0|2,0,0]=4 8352 B12R1.27 CO[C@@H](C)CNc1ccccc1 1db51b6397d595cc5bd1ef07b3dce178 [0,2,0,0,0,0|1,0,0]=3 8353 B12R1.27 CO[C@@H](C)CNc1ccccn1 3f6f24d683b32bf983db741333c2969d [0,2,0,0,0,0|2,0,0]=4 8354 B12R1.27 CO[C@@H](C)CNc1cccnc1 ed45e74a30d0fad7831c896f4455a3e9 [0,2,0,0,0,0|2,0,0]=4 8355 B12R1.27 CO[C@@H](C)CNc1ccncc1 321a70901c24d6141307a3fd83345c5f [0,2,0,0,0,0|2,0,0]=4 8356 B12R1.27 CO[C@@H](C)COc1ccccn1 74e5eb55678aa99f2f01dd02e58c0f99 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.27 CO[C@@H](C)COc1cccnc1 4625df0874e428ea62a16a84848b31c3 [0,2,0,0,0,0|2,0,0]=4 8358 B12R1.27 CO[C@@H](C)COc1ccncc1 a06e60f07f6a57574e8cbc8ff90265e7 [0,2,0,0,0,0|2,0,0]=4 8359 B12R1.27 CO[C@H](C)CNc1ccccc1 b7b86a2dea3233b080c54d71a8f46990 [0,2,0,0,0,0|1,0,0]=3 8360 B12R1.27 CO[C@H](C)CNc1ccccn1 04ec0231ca9bc4cf1eff96f841c37724 [0,2,0,0,0,0|2,0,0]=4 8361 B12R1.27 CO[C@H](C)CNc1cccnc1 3d28dbb191d334198e2e90ddce2fa1a4 [0,2,0,0,0,0|2,0,0]=4 8362 B12R1.27 CO[C@H](C)CNc1ccncc1 bd2ba612a637b68c883a6591cf32e881 [0,2,0,0,0,0|2,0,0]=4 8363 B12R1.27 CO[C@H](C)COc1ccccn1 48788836bfd03aade6f0bd2c51b60c5c [0,2,0,0,0,0|2,0,0]=4 8364 B12R1.27 CO[C@H](C)COc1cccnc1 a0e969ee0f3c10fe22a63e3d03e64109 [0,2,0,0,0,0|2,0,0]=4 8365 B12R1.27 CO[C@H](C)COc1ccncc1 8e99d9b0419ebb5515c91639e755a31d [0,2,0,0,0,0|2,0,0]=4 8366 B12R1.27 C[C@@H](CO)CNc1ccccc1 8acaf8396f10bf3948fe3b52f4656e75 [0,2,0,0,0,0|0,0,0]=2 8367 B12R1.27 C[C@@H](CO)CNc1ccccn1 af016b84d95f1080f07ef6f02d15824a [0,2,0,0,0,0|1,0,0]=3 8368 B12R1.27 C[C@@H](CO)CNc1cccnc1 6052f0c67d4cdd3f80ceffbd11480331 [0,2,0,0,0,0|1,0,0]=3 8369 B12R1.27 C[C@@H](CO)CNc1cccnn1 0b6a2fb6d9427f1ca932a4a2c6e94db3 [0,2,0,0,0,0|2,0,0]=4 8370 B12R1.27 C[C@@H](CO)CNc1ccncc1 f14674535a69f3232455d568e370ba78 [0,2,0,0,0,0|1,0,0]=3 8371 B12R1.27 C[C@@H](CO)CNc1ccncn1 d45f622473b51bdfa511c740fe038021 [0,2,0,0,0,0|2,0,0]=4 8372 B12R1.27 C[C@@H](CO)CNc1ccnnc1 a6db6be48967f658cf422398cf0ac2af [0,2,0,0,0,0|2,0,0]=4 8373 B12R1.27 C[C@@H](CO)CNc1cnccn1 b34ebd6399cbc236ef2ab5ac79900198 [0,2,0,0,0,0|2,0,0]=4 8374 B12R1.27 C[C@@H](CO)CNc1cncnc1 f7b57f8d63359c7bfa45b0eb0355141f [0,2,0,0,0,0|2,0,0]=4 8375 B12R1.27 C[C@@H](CO)CNc1ncccn1 af018eff6911c0d83a5da864e125d204 [0,2,0,0,0,0|2,0,0]=4 8376 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [0,2,0,0,0,0|0,0,0]=2 8377 B12R1.27 C[C@@H](CO)NCc1ccccn1 24b346e5ac8cec24f6566fe18f21e557 [0,2,0,0,0,0|1,0,0]=3 8378 B12R1.27 C[C@@H](CO)NCc1cccnc1 c05978b6b00adbcee4f88cca44b079ed [0,2,0,0,0,0|1,0,0]=3 8379 B12R1.27 C[C@@H](CO)NCc1cccnn1 05a1dc5c207ae3eee6144f6e1c657205 [0,2,0,0,0,0|2,0,0]=4 8380 B12R1.27 C[C@@H](CO)NCc1ccncc1 5b07b762d221cbddc1d819cacc34979c [0,2,0,0,0,0|1,0,0]=3 8381 B12R1.27 C[C@@H](CO)NCc1ccncn1 f6ff3ba88bfe69e87216c2a7058d07f8 [0,2,0,0,0,0|2,0,0]=4 8382 B12R1.27 C[C@@H](CO)NCc1ccnnc1 602b58db0892c99d23481e8ecf4bc7eb [0,2,0,0,0,0|2,0,0]=4 8383 B12R1.27 C[C@@H](CO)NCc1cnccn1 848c1433beb181bd59c54d3b96b16fa8 [0,2,0,0,0,0|2,0,0]=4 8384 B12R1.27 C[C@@H](CO)NCc1cncnc1 7062307e6488c38c00784838f500b75b [0,2,0,0,0,0|2,0,0]=4 8385 B12R1.27 C[C@@H](CO)NCc1ncccn1 18b98af25da2c21ca4e52167d59e15d7 [0,2,0,0,0,0|2,0,0]=4 8386 B12R1.27 C[C@H](C=O)NCc1ccccc1 645b627cd889138b5240bcb1ce686b72 [0,2,0,0,0,0|0,0,2]=4 8387 B12R1.27 C[C@H](C=O)OCc1ccccc1 d71860644cbe1541da13b3966902f7f7 [0,2,0,0,0,0|0,0,2]=4 8388 B12R1.27 C[C@H](CO)CNc1ccccc1 de01f7c1f1d3b008ec664fad35110bba [0,2,0,0,0,0|0,0,0]=2 8389 B12R1.27 C[C@H](CO)CNc1ccccn1 e822e956d48a344afeb617359365dcfb [0,2,0,0,0,0|1,0,0]=3 8390 B12R1.27 C[C@H](CO)CNc1cccnc1 27ef93a68bfc032deefa13733949bda2 [0,2,0,0,0,0|1,0,0]=3 8391 B12R1.27 C[C@H](CO)CNc1cccnn1 560938529d62da9a8aac673de498ec01 [0,2,0,0,0,0|2,0,0]=4 8392 B12R1.27 C[C@H](CO)CNc1ccncc1 4fd9d26d176ae9102178ddd2e18bcf70 [0,2,0,0,0,0|1,0,0]=3 8393 B12R1.27 C[C@H](CO)CNc1ccncn1 bda1eef39f4a95e453c3bac3205df33f [0,2,0,0,0,0|2,0,0]=4 8394 B12R1.27 C[C@H](CO)CNc1ccnnc1 8de1988db6879a452006eab050105901 [0,2,0,0,0,0|2,0,0]=4 8395 B12R1.27 C[C@H](CO)CNc1cnccn1 de693ece84470b212343000297ad249f [0,2,0,0,0,0|2,0,0]=4 8396 B12R1.27 C[C@H](CO)CNc1cncnc1 f499f8ec27d7f7988221cad8c244b04a [0,2,0,0,0,0|2,0,0]=4 8397 B12R1.27 C[C@H](CO)CNc1ncccn1 916d39941d1066a7157031db8367b91b [0,2,0,0,0,0|2,0,0]=4 8398 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [0,2,0,0,0,0|0,0,0]=2 8399 B12R1.27 C[C@H](CO)NCc1ccccn1 f876cbcb18ab33a44cd48067a6e0c620 [0,2,0,0,0,0|1,0,0]=3 8400 B12R1.27 C[C@H](CO)NCc1cccnc1 21544267eb570ab70ec823c251a550b0 [0,2,0,0,0,0|1,0,0]=3 8401 B12R1.27 C[C@H](CO)NCc1cccnn1 1a2bd735b97b66ca6ea47e333ae5c2c6 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.27 C[C@H](CO)NCc1ccncc1 7dbeacc2c2607a95fa1f0ce20b03a078 [0,2,0,0,0,0|1,0,0]=3 8403 B12R1.27 C[C@H](CO)NCc1ccncn1 c32e0f5fede4f5050d0aa02b72ffe485 [0,2,0,0,0,0|2,0,0]=4 8404 B12R1.27 C[C@H](CO)NCc1ccnnc1 74241780e18870a69ac7c87826b5a58a [0,2,0,0,0,0|2,0,0]=4 8405 B12R1.27 C[C@H](CO)NCc1cnccn1 aa92059eda1f440fdfb5e1dbb18875a2 [0,2,0,0,0,0|2,0,0]=4 8406 B12R1.27 C[C@H](CO)NCc1cncnc1 8e45c1650fb11b8b52cada27361a54d9 [0,2,0,0,0,0|2,0,0]=4 8407 B12R1.27 C[C@H](CO)NCc1ncccn1 0f954e7651a99fa27d25d1118270587f [0,2,0,0,0,0|2,0,0]=4 8408 B12R1.27 C[C@H](CS)OCc1ccccc1 76a62ad706fe4942b152f21141bdace8 [0,2,0,0,0,0|0,1,0]=3 8409 B12R1.27 C[C@H](CS)OCc1ccccn1 bfa2f3c46950c58e36e3009f57740457 [0,2,0,0,0,0|1,1,0]=4 8410 B12R1.27 C[C@H](CS)OCc1cccnc1 ac5d95777938b777033779188a5a5b0a [0,2,0,0,0,0|1,1,0]=4 8411 B12R1.27 O=C(CF)NCc1ccccc1 44d0634b73cc2a3134198abb702adc32 [0,2,0,0,0,0|1,0,1]=4 8412 B12R1.27 O=C(CNc1ccccc1)NO b700dc391e059a1fe9e2fea74fdf720f [0,2,0,0,0,0|1,0,1]=4 8413 B12R1.27 O=C(CO)CNc1ccccc1 1cf374c57dfb525ce3f48cecf3edf550 [0,2,0,0,0,0|0,0,1]=3 8414 B12R1.27 O=C(CO)CNc1ccccn1 0c5a750a3ead3f0642560291fe4bd338 [0,2,0,0,0,0|1,0,1]=4 8415 B12R1.27 O=C(CO)CNc1cccnc1 2c6f296e217cf230fda521b9de841c22 [0,2,0,0,0,0|1,0,1]=4 8416 B12R1.27 O=C(CO)CNc1ccncc1 a9956d0800a44e92c213c4374d265d3b [0,2,0,0,0,0|1,0,1]=4 8417 B12R1.27 O=C(CO)NCc1ccccc1 f4f787a5214848c6970058ebdb73c876 [0,2,0,0,0,0|0,0,1]=3 8418 B12R1.27 O=C(CO)NCc1ccccn1 76eb78e75930ec6892869074780cca40 [0,2,0,0,0,0|1,0,1]=4 8419 B12R1.27 O=C(CO)NCc1cccnc1 accc53643db8ccf06656b79e4c302034 [0,2,0,0,0,0|1,0,1]=4 8420 B12R1.27 O=C(CO)NCc1ccncc1 e6e3500e223e964fc174f8ea1c4cb0cf [0,2,0,0,0,0|1,0,1]=4 8421 B12R1.27 O=C(CS)NCc1ccccc1 f91da9c658c39a4f0c257ce61b60a1a7 [0,2,0,0,0,0|0,1,1]=4 8422 B12R1.27 OC(CF)CNc1ccccc1 e518893c8dbaaac7e0289d266d42fc20 [0,2,0,0,0,0|1,0,0]=3 8423 B12R1.27 OC(CF)CNc1ccccn1 1b489c84af593acbd12dd849bb8613a4 [0,2,0,0,0,0|2,0,0]=4 8424 B12R1.27 OC(CF)CNc1cccnc1 d4c1cc0570898fb9377efaef5e2305e5 [0,2,0,0,0,0|2,0,0]=4 8425 B12R1.27 OC(CF)CNc1ccncc1 234aee4af07f2b3b212146219e07228f [0,2,0,0,0,0|2,0,0]=4 8426 B12R1.27 OCC(F)CNc1ccccc1 12f6637854cd5607d7beeb33d98c9d66 [0,2,0,0,0,0|0,0,0]=2 8427 B12R1.27 OCC(F)CNc1ccccn1 636742c95dad33ab1c71801ff2f3a9f9 [0,2,0,0,0,0|1,0,0]=3 8428 B12R1.27 OCC(F)CNc1cccnc1 15292281630b121a7c03a4f02b41c1f1 [0,2,0,0,0,0|1,0,0]=3 8429 B12R1.27 OCC(F)CNc1cccnn1 3206d2a2e5405671183d9fbae6b6f869 [0,2,0,0,0,0|2,0,0]=4 8430 B12R1.27 OCC(F)CNc1ccncc1 57082d81e0870faa97be4e7901ad63fe [0,2,0,0,0,0|1,0,0]=3 8431 B12R1.27 OCC(F)CNc1ccncn1 e47a7fece5be9dab87f5065b8d5faad2 [0,2,0,0,0,0|2,0,0]=4 8432 B12R1.27 OCC(F)CNc1ccnnc1 778659f5a32d49b90f52e287a00e863d [0,2,0,0,0,0|2,0,0]=4 8433 B12R1.27 OCC(F)CNc1cnccn1 afb9dfd6639eb50d2d5ff1a29359175d [0,2,0,0,0,0|2,0,0]=4 8434 B12R1.27 OCC(F)CNc1ncccn1 e95c3ce2f17538746c4f3fd19d2dcf76 [0,2,0,0,0,0|2,0,0]=4 8435 B12R1.27 OCC(O)CNc1ccccc1 2c98ea52c81c0230088b12196d6eb24a [0,2,0,0,0,0|0,0,0]=2 8436 B12R1.27 OCC(O)CNc1ccccn1 01ee7f693227d7b41743528a5289097e [0,2,0,0,0,0|1,0,0]=3 8437 B12R1.27 OCC(O)CNc1cccnc1 1b47ebf45ca013920823a1b9e2030f55 [0,2,0,0,0,0|1,0,0]=3 8438 B12R1.27 OCC(O)CNc1cccnn1 c37660606513696fffd56ba0becf4339 [0,2,0,0,0,0|2,0,0]=4 8439 B12R1.27 OCC(O)CNc1ccncc1 1a36e5f608fa544c06535c254ccc872e [0,2,0,0,0,0|1,0,0]=3 8440 B12R1.27 OCC(O)CNc1ccncn1 6c3d967743ad1842f53cd0a78440874e [0,2,0,0,0,0|2,0,0]=4 8441 B12R1.27 OCC(O)CNc1ccnnc1 32360f9a05f168d3d26cfbec11317622 [0,2,0,0,0,0|2,0,0]=4 8442 B12R1.27 OCC(O)CNc1cnccn1 38f4f717546be1a1edb1cb90ca085d60 [0,2,0,0,0,0|2,0,0]=4 8443 B12R1.27 OCC(O)CNc1cncnc1 8dad7ccc42d9ab0ac0019baeaf4da201 [0,2,0,0,0,0|2,0,0]=4 8444 B12R1.27 OCC(O)CNc1ncccn1 c8c3ea7763b8905b18ba231ae62c2d9a [0,2,0,0,0,0|2,0,0]=4 8445 B12R1.27 OCC(O)COc1ccccn1 de982e49db9e5905cbf502b472dbf63c [0,2,0,0,0,0|1,0,0]=3 8446 B12R1.27 OCC(O)COc1cccnc1 16ebbab500126aa2ce0f1a83627b97a0 [0,2,0,0,0,0|1,0,0]=3 8447 B12R1.27 OCC(O)COc1ccncc1 c33db2e763b2b133bf4e8cf0f33b9837 [0,2,0,0,0,0|1,0,0]=3 8448 B12R1.27 OCC(O)COc1ccnnc1 cf0397c1ca36c85913dbb6935af38a04 [0,2,0,0,0,0|2,0,0]=4 8449 B12R1.27 OCC(O)COc1cnccn1 11df0c63b0f6b4d8bd464a325e4a7069 [0,2,0,0,0,0|2,0,0]=4 8450 B12R1.27 OCC(O)COc1cncnc1 bf36ce90ecbc962c27719fe389906c71 [0,2,0,0,0,0|2,0,0]=4 8451 B12R1.27 OCC(O)COc1ncccn1 286403b4fdbdd90521acb85f3a67a40b [0,2,0,0,0,0|2,0,0]=4 8452 B12R1.27 OC[C@@H](F)CNc1ccccc1 df0a72159854bbc7d14ee531e659ec9c [0,2,0,0,0,0|0,0,0]=2 8453 B12R1.27 OC[C@@H](F)CNc1ccccn1 1584848d336c5e6a789273d622755063 [0,2,0,0,0,0|1,0,0]=3 8454 B12R1.27 OC[C@@H](F)CNc1cccnc1 27174b986a871a35ff2a2528d99fe670 [0,2,0,0,0,0|1,0,0]=3 8455 B12R1.27 OC[C@@H](F)CNc1cccnn1 c59c212ecfe4a38d71370a6090a4c76b [0,2,0,0,0,0|2,0,0]=4 8456 B12R1.27 OC[C@@H](F)CNc1ccncc1 404fdfcd1b5e1015d1e7047c1dce70c8 [0,2,0,0,0,0|1,0,0]=3 8457 B12R1.27 OC[C@@H](F)CNc1ccncn1 f33c3b0dfeabff0c991fb4ca945e03c9 [0,2,0,0,0,0|2,0,0]=4 8458 B12R1.27 OC[C@@H](F)CNc1ccnnc1 7999d111eb264b6e07703d2f25744d98 [0,2,0,0,0,0|2,0,0]=4 8459 B12R1.27 OC[C@@H](F)CNc1cnccn1 908a6074f6ae5123691476cafb870574 [0,2,0,0,0,0|2,0,0]=4 8460 B12R1.27 OC[C@@H](F)CNc1ncccn1 abc44e6dacd16d67f5cef855f5167cc3 [0,2,0,0,0,0|2,0,0]=4 8461 B12R1.27 OC[C@@H](O)CNc1ccccc1 d5ed593b781b051c17ac5c0f665c9b28 [0,2,0,0,0,0|0,0,0]=2 8462 B12R1.27 OC[C@@H](O)CNc1ccccn1 2519c7c1d8c00423d8e7e0d2e871ff57 [0,2,0,0,0,0|1,0,0]=3 8463 B12R1.27 OC[C@@H](O)CNc1cccnc1 8c575336f8c6d4fe624442e780d70b20 [0,2,0,0,0,0|1,0,0]=3 8464 B12R1.27 OC[C@@H](O)CNc1cccnn1 58a3e678159e6534b8b3409e8c95293a [0,2,0,0,0,0|2,0,0]=4 8465 B12R1.27 OC[C@@H](O)CNc1ccncc1 0661095638a99c4a845de3cb9b65b46b [0,2,0,0,0,0|1,0,0]=3 8466 B12R1.27 OC[C@@H](O)CNc1ccncn1 10efd3c226492fc8b4b0e6a19a39c9ac [0,2,0,0,0,0|2,0,0]=4 8467 B12R1.27 OC[C@@H](O)CNc1ccnnc1 acb1c01bc9eb17a8a3fcbee3135f100f [0,2,0,0,0,0|2,0,0]=4 8468 B12R1.27 OC[C@@H](O)CNc1cnccn1 7407429709e17e3ed0b8a23970e73740 [0,2,0,0,0,0|2,0,0]=4 8469 B12R1.27 OC[C@@H](O)CNc1cncnc1 194f45f86576854268b66d8b98ccefef [0,2,0,0,0,0|2,0,0]=4 8470 B12R1.27 OC[C@@H](O)CNc1ncccn1 67a9d28146b1982de145b045ea5f4c68 [0,2,0,0,0,0|2,0,0]=4 8471 B12R1.27 OC[C@@H](O)COc1ccccn1 5d7275d622eef8cbe7d078a5f35c4912 [0,2,0,0,0,0|1,0,0]=3 8472 B12R1.27 OC[C@@H](O)COc1cccnc1 67d57f427db75d1af6a0440a66710d9f [0,2,0,0,0,0|1,0,0]=3 8473 B12R1.27 OC[C@@H](O)COc1ccncc1 30d909e2d35e87bd7663ec863341db7c [0,2,0,0,0,0|1,0,0]=3 8474 B12R1.27 OC[C@@H](O)COc1ccnnc1 765093cc1e790d6c8ddeca68a451daca [0,2,0,0,0,0|2,0,0]=4 8475 B12R1.27 OC[C@@H](O)COc1cnccn1 0eed07766913688fb589489d701afc2f [0,2,0,0,0,0|2,0,0]=4 8476 B12R1.27 OC[C@@H](O)COc1cncnc1 202f6dbc78ec2ff0e3b381ae227e6fe3 [0,2,0,0,0,0|2,0,0]=4 8477 B12R1.27 OC[C@@H](O)COc1ncccn1 fb606f8980318ebc969c6d4c4b853e7d [0,2,0,0,0,0|2,0,0]=4 8478 B12R1.27 OC[C@H](F)CNc1ccccc1 9734eac13b001b84d3ee28ab012b0276 [0,2,0,0,0,0|0,0,0]=2 8479 B12R1.27 OC[C@H](F)CNc1ccccn1 9c1fd0a321ca27bdcba2b167501dd415 [0,2,0,0,0,0|1,0,0]=3 8480 B12R1.27 OC[C@H](F)CNc1cccnc1 4b4d10ed0c8ade13b1cf2e37b68a476b [0,2,0,0,0,0|1,0,0]=3 8481 B12R1.27 OC[C@H](F)CNc1cccnn1 629ab3e247071759d1dae6b893a9e5b7 [0,2,0,0,0,0|2,0,0]=4 8482 B12R1.27 OC[C@H](F)CNc1ccncc1 72be82e16ff155294b9146aea6bc917f [0,2,0,0,0,0|1,0,0]=3 8483 B12R1.27 OC[C@H](F)CNc1ccncn1 25dca2b737caaea3176c6988483e7be0 [0,2,0,0,0,0|2,0,0]=4 8484 B12R1.27 OC[C@H](F)CNc1ccnnc1 320d6b233d32ff5b7626549ede1b5b77 [0,2,0,0,0,0|2,0,0]=4 8485 B12R1.27 OC[C@H](F)CNc1cnccn1 d3061d41a310308078c944c00d350274 [0,2,0,0,0,0|2,0,0]=4 8486 B12R1.27 OC[C@H](F)CNc1ncccn1 2f2d808ea141af971353304ead1b3d7b [0,2,0,0,0,0|2,0,0]=4 8487 B12R1.27 OC[C@H](O)CNc1ccccc1 4df6835ea35fcadc1546d95d2a23469d [0,2,0,0,0,0|0,0,0]=2 8488 B12R1.27 OC[C@H](O)CNc1ccccn1 e668a53640e03ea6cd35db659b23303b [0,2,0,0,0,0|1,0,0]=3 8489 B12R1.27 OC[C@H](O)CNc1cccnc1 f403b2d413b3dfc5460a701b3f32906f [0,2,0,0,0,0|1,0,0]=3 8490 B12R1.27 OC[C@H](O)CNc1cccnn1 087448f1183ed7f43bb3b961de8ba49d [0,2,0,0,0,0|2,0,0]=4 8491 B12R1.27 OC[C@H](O)CNc1ccncc1 563e5b58751d3dcea31b001699743353 [0,2,0,0,0,0|1,0,0]=3 8492 B12R1.27 OC[C@H](O)CNc1ccncn1 70c5dc777387b42dc9ea51088d2653ff [0,2,0,0,0,0|2,0,0]=4 8493 B12R1.27 OC[C@H](O)CNc1ccnnc1 0d2b84acb37073cd849272b6d1955d3f [0,2,0,0,0,0|2,0,0]=4 8494 B12R1.27 OC[C@H](O)CNc1cnccn1 ee79647d0d893b6c2e8e16a89ef61985 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.27 OC[C@H](O)CNc1cncnc1 e539fd22c8ae62559eaa8fbad559d609 [0,2,0,0,0,0|2,0,0]=4 8496 B12R1.27 OC[C@H](O)CNc1ncccn1 ababa3637c22251016991c8e9b423ba2 [0,2,0,0,0,0|2,0,0]=4 8497 B12R1.27 OC[C@H](O)COc1ccccn1 045d37c66440cc9315b76b72a2532fa4 [0,2,0,0,0,0|1,0,0]=3 8498 B12R1.27 OC[C@H](O)COc1cccnc1 2642a621d8fa510d1c90c0e4fdb0b054 [0,2,0,0,0,0|1,0,0]=3 8499 B12R1.27 OC[C@H](O)COc1ccncc1 7a8d5ee1399af5e53a3e66738822d7f4 [0,2,0,0,0,0|1,0,0]=3 8500 B12R1.27 OC[C@H](O)COc1ccnnc1 666300e94135e6a4b7f5ad0aa796298e [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.27 OC[C@H](O)COc1cnccn1 f148bf1e896930240548bc4612b4a608 [0,2,0,0,0,0|2,0,0]=4 8502 B12R1.27 OC[C@H](O)COc1cncnc1 ce721f5fd4bf850299ea6d479f05c805 [0,2,0,0,0,0|2,0,0]=4 8503 B12R1.27 OC[C@H](O)COc1ncccn1 ec1e58c945dcba45a17837c41f7c3b4c [0,2,0,0,0,0|2,0,0]=4 8504 B12R1.32 C#CCN(C)Cc1ccccc1 e56580931f8cdab6398e6e077f7d4a03 [0,2,0,0,0,0|1,0,1]=4 8505 B12R1.32 C=CCN(C)Cc1ccccc1 f858c6ed41b995ef747d3394b7bc7ac3 [0,2,0,0,0,0|1,0,1]=4 8506 B12R1.32 CC(CC#N)Nc1ccccc1 9d497ef86eee6b3cf19732b73151dfc5 [0,2,0,0,0,0|1,0,1]=4 8507 B12R1.32 CC(CCO)Nc1ccccc1 9bf70c52b6fbdda0acbad0fbf8bda5d0 [0,2,0,0,0,0|0,0,0]=2 8508 B12R1.32 CC(CCO)Nc1cccnc1 c7b8a995c73abbf3a7b86a5a39f02f1b [0,2,0,0,0,0|1,0,0]=3 8509 B12R1.32 CC(CCO)Nc1cccnn1 ce8006e1e3ad3601ec2d3176ae8a0baa [0,2,0,0,0,0|2,0,0]=4 8510 B12R1.32 CC(CCO)Nc1ccncc1 e7559995cfc95ed911e5a498afe30c74 [0,2,0,0,0,0|1,0,0]=3 8511 B12R1.32 CC(CCO)Nc1ccncn1 55d7ca76b5ed044f06c0dd71d8dbf294 [0,2,0,0,0,0|2,0,0]=4 8512 B12R1.32 CC(CCO)Nc1ccnnc1 5d5d32300aed06ea339ab8f9750ede23 [0,2,0,0,0,0|2,0,0]=4 8513 B12R1.32 CC(CCO)Nc1cnccn1 fbe36d708c6f04f3ad9b566890739f82 [0,2,0,0,0,0|2,0,0]=4 8514 B12R1.32 CC(CCO)Nc1ncccn1 3094a827b9644842a2e3bc29e115d213 [0,2,0,0,0,0|2,0,0]=4 8515 B12R1.32 CC(Cc1ccccn1)NCF d5fdd6b98c347b6317b5d0d8cf3c28b6 [0,2,0,0,0,0|2,0,0]=4 8516 B12R1.32 CC(Cc1ccccn1)NCO eb641c414d0b15108bf9321647b7890c [0,2,0,0,0,0|1,0,0]=3 8517 B12R1.32 CC(Cc1ccccn1)OCF d6c424851ea201f763a1418247a6eb34 [0,2,0,0,0,0|2,0,0]=4 8518 B12R1.32 CC(Cc1cccnc1)NCF 0a8331e6b65f8d98e5c22c4682170fe6 [0,2,0,0,0,0|2,0,0]=4 8519 B12R1.32 CC(Cc1cccnc1)NCO 2d1e9d214ab4e58b5282fe30111314e4 [0,2,0,0,0,0|1,0,0]=3 8520 B12R1.32 CC(Cc1ccncc1)NCF 552d22a85f958469339986039ae7dce3 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.32 CC(Cc1ccncc1)NCO def23991f96c3f6436149b61afb90490 [0,2,0,0,0,0|1,0,0]=3 8522 B12R1.32 CC(Cc1cnccn1)NCO f86cc27b8a2719a3865d7f92ea5b3f87 [0,2,0,0,0,0|2,0,0]=4 8523 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [0,2,0,0,0,0|1,0,0]=3 8524 B12R1.32 CCCC(C)Nc1ccccn1 2669f8567b938ac2a918e85bd69bb770 [0,2,0,0,0,0|2,0,0]=4 8525 B12R1.32 CCCC(C)Nc1cccnc1 af2a7472e895c61981327f4b8de00ee9 [0,2,0,0,0,0|2,0,0]=4 8526 B12R1.32 CCCC(C)Nc1ccncc1 bc7c26623f29f55d18fe6bfa5e660a5e [0,2,0,0,0,0|2,0,0]=4 8527 B12R1.32 CCCC(C)Oc1ccccn1 f14a322e30e4491e36792a6fd64a30e7 [0,2,0,0,0,0|2,0,0]=4 8528 B12R1.32 CCCC(C)Oc1cccnc1 16283b7b4266224a92efdc8338a94776 [0,2,0,0,0,0|2,0,0]=4 8529 B12R1.32 CCCC(C)Oc1ccncc1 b9d7beb71b6c3dd797277820c00f9552 [0,2,0,0,0,0|2,0,0]=4 8530 B12R1.32 CCCN(C)Cc1ccccc1 4eed5f3692a34dc05deac3e14f757f4f [0,2,0,0,0,0|1,0,0]=3 8531 B12R1.32 CCCN(C)Cc1ccccn1 2ba7f31870dc6781d668ec555cfac4b5 [0,2,0,0,0,0|2,0,0]=4 8532 B12R1.32 CCCN(C)Cc1cccnc1 60746a1075dd28e04eb10086fae0b820 [0,2,0,0,0,0|2,0,0]=4 8533 B12R1.32 CCCN(C)Cc1ccncc1 a69c5a082934587e8fadc56e06a02243 [0,2,0,0,0,0|2,0,0]=4 8534 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [0,2,0,0,0,0|1,0,0]=3 8535 B12R1.32 CCNC(C)Cc1ccccn1 3f739570fdaf944ffb41444c69149a83 [0,2,0,0,0,0|2,0,0]=4 8536 B12R1.32 CCNC(C)Cc1cccnc1 1c73ce06501092b14624237b8eaa830e [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.32 CCNC(C)Cc1ccncc1 1ac39eab33f6c8633237d01993a17382 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [0,2,0,0,0,0|1,0,0]=3 8539 B12R1.32 CCOC(C)Cc1ccccn1 144eae020541eabb52d7b3534ceef0a4 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [0,2,0,0,0,0|1,0,0]=3 8541 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [0,2,0,0,0,0|1,0,0]=3 8542 B12R1.32 CN(CC#N)Cc1ccccc1 5c32846a8b8f40e8ba55bc3d3a77884c [0,2,0,0,0,0|1,0,1]=4 8543 B12R1.32 CN(CC=O)Cc1ccccc1 7580b9a13b83ef7e7f2ffe8dfb9a649a [0,2,0,0,0,0|0,0,2]=4 8544 B12R1.32 CN(CCF)Cc1ccccc1 c2bce3f6897fd6361961da43db186c6c [0,2,0,0,0,0|1,0,0]=3 8545 B12R1.32 CN(CCF)Cc1ccccn1 e5e3987aa096f716f04001ec62a0de3c [0,2,0,0,0,0|2,0,0]=4 8546 B12R1.32 CN(CCF)Cc1cccnc1 e34d8abf0a253f9394e6fbf169fba993 [0,2,0,0,0,0|2,0,0]=4 8547 B12R1.32 CN(CCF)Cc1ccncc1 01e2c4944a3d8a490db7d95641ea4481 [0,2,0,0,0,0|2,0,0]=4 8548 B12R1.32 CN(CCO)Cc1ccccc1 757bf36fdf4b02517da3241e86467be6 [0,2,0,0,0,0|0,0,0]=2 8549 B12R1.32 CN(CCO)Cc1ccccn1 e6506de41dc1aa2a0101e326b7b68e93 [0,2,0,0,0,0|1,0,0]=3 8550 B12R1.32 CN(CCO)Cc1cccnc1 503535e0b68231fb7ab3eaa25b27a0c2 [0,2,0,0,0,0|1,0,0]=3 8551 B12R1.32 CN(CCO)Cc1cccnn1 7ec1319ca1cdee0b7fbbec8ca65b84b4 [0,2,0,0,0,0|2,0,0]=4 8552 B12R1.32 CN(CCO)Cc1ccncc1 9b49ad627ce3781f97e56e675de41f46 [0,2,0,0,0,0|1,0,0]=3 8553 B12R1.32 CN(CCO)Cc1ccncn1 442473b76f52d002f5db55edcca25e5b [0,2,0,0,0,0|2,0,0]=4 8554 B12R1.32 CN(CCO)Cc1ccnnc1 7fc7fcbee72be264220244f91b00d7c1 [0,2,0,0,0,0|2,0,0]=4 8555 B12R1.32 CN(CCO)Cc1cnccn1 975c82527d963422732ef53161de26e5 [0,2,0,0,0,0|2,0,0]=4 8556 B12R1.32 CN(CCO)Cc1cncnc1 802d1b29d753c7ec9690052af9290969 [0,2,0,0,0,0|2,0,0]=4 8557 B12R1.32 CN(CCO)Cc1ncccn1 8b6b166d4fd536e99dd0071a0c265abd [0,2,0,0,0,0|2,0,0]=4 8558 B12R1.32 CN(CCS)Cc1ccccc1 8e8f744accb260bbf35bc2715f513a4e [0,2,0,0,0,0|0,1,0]=3 8559 B12R1.32 CN(CCS)Cc1ccccn1 738efb58845b6d328d324778a901dac1 [0,2,0,0,0,0|1,1,0]=4 8560 B12R1.32 CN(CCS)Cc1cccnc1 80820448b1394091ff698d8bcfea58e2 [0,2,0,0,0,0|1,1,0]=4 8561 B12R1.32 CN(CCS)Cc1ccncc1 cb19975ca64f2d8b668547f311e19a9a [0,2,0,0,0,0|1,1,0]=4 8562 B12R1.32 COCC(C)Nc1ccccc1 918c3e9faef698920f78ca93350fda53 [0,2,0,0,0,0|1,0,0]=3 8563 B12R1.32 COCC(C)Nc1ccccn1 b87c4274a798014c5caa22801a140abd [0,2,0,0,0,0|2,0,0]=4 8564 B12R1.32 COCC(C)Nc1cccnc1 b812752e64d8737319fd6f3db07b6bc1 [0,2,0,0,0,0|2,0,0]=4 8565 B12R1.32 COCC(C)Nc1ccncc1 33b554ac3febbeb05911740b59f936a4 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.32 COCC(C)Oc1ccccn1 668fa5e1f0515f975b72eaca09bba005 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.32 COCC(C)Oc1cccnc1 e8657e7fea231a3cbb0976e5d4a5b3d8 [0,2,0,0,0,0|2,0,0]=4 8568 B12R1.32 COCC(C)Oc1ccncc1 971ee2e47f6b711ed0fcda630805e921 [0,2,0,0,0,0|2,0,0]=4 8569 B12R1.32 COCN(C)Cc1ccccc1 4d05c3d6ddf3ecec9a6b681c1068023b [0,2,0,0,0,0|1,0,0]=3 8570 B12R1.32 COCN(C)Cc1ccccn1 be6855095994cc4fb8e97c0a5352a8a9 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.32 COCN(C)Cc1cccnc1 f50236404b504213455088d1b436a4c1 [0,2,0,0,0,0|2,0,0]=4 8572 B12R1.32 COCN(C)Cc1ccncc1 2c07abbe7586e08e1f7bb635b66559e0 [0,2,0,0,0,0|2,0,0]=4 8573 B12R1.32 COC[C@@H](C)Nc1ccccc1 b6337fbd6f770477a80a235354ba550b [0,2,0,0,0,0|1,0,0]=3 8574 B12R1.32 COC[C@@H](C)Nc1cccnc1 516207c81acf2dd1d4472d7b45572390 [0,2,0,0,0,0|2,0,0]=4 8575 B12R1.32 COC[C@H](C)Nc1ccccc1 6b0bb5bdf147fc56918f57a798a463a2 [0,2,0,0,0,0|1,0,0]=3 8576 B12R1.32 COC[C@H](C)Nc1cccnc1 0cec544e296a1ace9f6fb9794ec8ae21 [0,2,0,0,0,0|2,0,0]=4 8577 B12R1.32 CSCN(C)Cc1ccccc1 d9791fc92d257d5436d9d59fe9a2c04e [0,2,0,0,0,0|1,1,0]=4 8578 B12R1.32 C[C@@H](CCO)Nc1ccccc1 fc83b26b05d5bb1e6a4de978429a6aa3 [0,2,0,0,0,0|0,0,0]=2 8579 B12R1.32 C[C@@H](CCO)Nc1cccnc1 c87bea4e8a4cfebb37b775d259b404cc [0,2,0,0,0,0|1,0,0]=3 8580 B12R1.32 C[C@H](CCO)Nc1ccccc1 83604672ebfdf7df8b733c8cb4f2aa8a [0,2,0,0,0,0|0,0,0]=2 8581 B12R1.32 C[C@H](CCO)Nc1cccnc1 ea70f12899bf83773b62a2d4a165c5b7 [0,2,0,0,0,0|1,0,0]=3 8582 B12R1.32 NOCC(=O)Nc1ccccc1 c5d51d2b3f28976c6bd3c98cfe9f6a86 [0,2,0,0,0,0|1,0,1]=4 8583 B12R1.32 O=C(CCO)Nc1ccccn1 21dc9f5a4df84121109c1b09cc607124 [0,2,0,0,0,0|1,0,1]=4 8584 B12R1.32 O=C(CCO)Nc1cccnc1 99259424f2fd7eed4113ee6e569a0bc6 [0,2,0,0,0,0|1,0,1]=4 8585 B12R1.252 C=C(Br)CNCc1ccccc1 9c1b05ca270d752c1d4010b95922e620 [0,2,0,0,0,0|1,0,1]=4 8586 B12R1.252 C=C(Br)COCc1ccccc1 03171f9a997e7b5e8cadd59a879b8b6c [0,2,0,0,0,0|1,0,1]=4 8587 B12R1.252 C=C(C)CCNc1ccccc1 6b5b9510ef6be8f5a83e582e3308e56d [0,2,0,0,0,0|1,0,1]=4 8588 B12R1.252 C=C(C)CNCc1ccccc1 5d90204cfd05ab0918bdacf95677a05b [0,2,0,0,0,0|1,0,1]=4 8589 B12R1.252 C=C(C)COCc1ccccc1 f4499d14dd2f7bb4726f716f15e929df [0,2,0,0,0,0|1,0,1]=4 8590 B12R1.252 C=C(Cl)CNCc1ccccc1 d045578b64ad4263f98d93d0c0da8316 [0,2,0,0,0,0|1,0,1]=4 8591 B12R1.252 C=C(Cl)COCc1ccccc1 8ea87585e2ec6fc9c83af9159d3e33eb [0,2,0,0,0,0|1,0,1]=4 8592 B12R1.252 C=C(F)CNCc1ccccc1 e1a9166891b5eedd5de2496e23c16415 [0,2,0,0,0,0|1,0,1]=4 8593 B12R1.252 C=C(F)COCc1ccccc1 0270311e0993ffc2a11a2318afb6410f [0,2,0,0,0,0|1,0,1]=4 8594 B12R1.252 C=C(I)COCc1ccccc1 516dafeab05685e2cd864f8688136ad5 [0,2,0,0,0,0|1,0,1]=4 8595 B12R1.252 CC(=O)CCNc1ccccc1 9b0f0a0043bcfdd99ee44d3d72b922e5 [0,2,0,0,0,0|0,0,2]=4 8596 B12R1.252 CC(=O)CNCc1ccccc1 5e4599c3af112643425e1a35238a896f [0,2,0,0,0,0|0,0,2]=4 8597 B12R1.252 CC(=O)COCc1ccccc1 18daaa7c0d669a182de591929c861cbe [0,2,0,0,0,0|0,0,2]=4 8598 B12R1.252 CC(=O)NCCc1ccccc1 1052e9521fedb3e85cab4ef571c55982 [0,2,0,0,0,0|0,0,2]=4 8599 B12R1.252 CC(C)CCNc1ccccc1 a9665cd268e7b4518a4ee939be46ff28 [0,2,0,0,0,0|1,0,0]=3 8600 B12R1.252 CC(C)CCNc1ccccn1 5b6942b64e33834b458baec7cf378581 [0,2,0,0,0,0|2,0,0]=4 8601 B12R1.252 CC(C)CCNc1cccnc1 69f5877c25712220cf9d8582cf74056f [0,2,0,0,0,0|2,0,0]=4 8602 B12R1.252 CC(C)CCNc1ccncc1 51f5e7e7cccdd7bf4f868dbc1d306bf9 [0,2,0,0,0,0|2,0,0]=4 8603 B12R1.252 CC(C)CCOc1ccccn1 7f883afab874ab8f83be331ad8cd7edb [0,2,0,0,0,0|2,0,0]=4 8604 B12R1.252 CC(C)CCOc1cccnc1 b89b58f2b508e626016a4b78466a2d25 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.252 CC(C)CCOc1ccncc1 d280f435e28fd77803bc44ac9ebf5e18 [0,2,0,0,0,0|2,0,0]=4 8606 B12R1.252 CC(C)CNCc1ccccc1 c48ab8ad76cb980676fd518bfed01255 [0,2,0,0,0,0|1,0,0]=3 8607 B12R1.252 CC(C)CNCc1ccccn1 6d7ebb6c45d12163344e2670abad50d7 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.252 CC(C)CNCc1cccnc1 317cc81cae733d174c088ce8c918791e [0,2,0,0,0,0|2,0,0]=4 8609 B12R1.252 CC(C)CNCc1ccncc1 e68ace07204ad5f64fa8daf124fe226c [0,2,0,0,0,0|2,0,0]=4 8610 B12R1.252 CC(C)COCc1ccccc1 5769ac6c29ea9be863f0068a3148d1e9 [0,2,0,0,0,0|1,0,0]=3 8611 B12R1.252 CC(C)COCc1ccccn1 41f471be8d0443a395a59a6edd4b2170 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.252 CC(C)COCc1cccnc1 e949ee90c476dd3afee631c02891b751 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.252 CC(C)COCc1ccncc1 243716518cbf836169ff83c6e87d1a68 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.252 CC(C)NCCc1ccccc1 800f62166be48d31d0f1f8e8246a3d11 [0,2,0,0,0,0|1,0,0]=3 8615 B12R1.252 CC(C)NCCc1ccccn1 60db3ccccaed87369474311fbbb2ee61 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.252 CC(C)NCCc1cccnc1 f39609cf740b878733069b3389a379d4 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.252 CC(C)NCCc1ccncc1 2e03fedf55e71e95c0abd0f4865dc22e [0,2,0,0,0,0|2,0,0]=4 8618 B12R1.252 CC(C)OCCc1ccccc1 cd2036e50db53ec52d80c5b70290b19c [0,2,0,0,0,0|1,0,0]=3 8619 B12R1.252 CC(C)OCCc1ccccn1 618810b4708a73ec52035c34c4054b87 [0,2,0,0,0,0|2,0,0]=4 8620 B12R1.252 CC(C)OCCc1cccnc1 ad83d4217e0420d4f686447a978fc953 [0,2,0,0,0,0|2,0,0]=4 8621 B12R1.252 CC(C)OCCc1ccncc1 07cefd4f30952a7fff1efa12f3f8cb0e [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.252 CC(C)OCNc1ccccc1 4ab9f406843d3d3dea8c678f7ec5fd29 [0,2,0,0,0,0|2,0,0]=4 8623 B12R1.252 CC(F)COCc1ccccc1 ceaaa348669e5aa8cbad2a4c64558f8e [0,2,0,0,0,0|1,0,0]=3 8624 B12R1.252 CC(F)COCc1ccccn1 476695497df80cb7c084184b5b43d035 [0,2,0,0,0,0|2,0,0]=4 8625 B12R1.252 CC(F)COCc1cccnc1 c074e95bfd5d6d05bfe23c42186cba2a [0,2,0,0,0,0|2,0,0]=4 8626 B12R1.252 CC(O)CCNc1ccccc1 5c6c9358fbd8939fc6c9f54dcb2d3a37 [0,2,0,0,0,0|0,0,0]=2 8627 B12R1.252 CC(O)CCNc1ccccn1 97031b4d64979d289ef04acc206d003e [0,2,0,0,0,0|1,0,0]=3 8628 B12R1.252 CC(O)CCNc1cccnc1 ddabe466465a030ebf6055c0cc168740 [0,2,0,0,0,0|1,0,0]=3 8629 B12R1.252 CC(O)CCNc1cccnn1 47b97190e8ab1842f9cd5e0dee7ed3e8 [0,2,0,0,0,0|2,0,0]=4 8630 B12R1.252 CC(O)CCNc1ccncc1 c1ccc95455595767ca368700397c2d43 [0,2,0,0,0,0|1,0,0]=3 8631 B12R1.252 CC(O)CCNc1ccncn1 ebd00d7ab06f73cce67a72b6f0de4119 [0,2,0,0,0,0|2,0,0]=4 8632 B12R1.252 CC(O)CCNc1ccnnc1 a504757203161e263e7f337405390bb3 [0,2,0,0,0,0|2,0,0]=4 8633 B12R1.252 CC(O)CCNc1cnccn1 6eb47df63aaf1411aa20597fd2d69a7f [0,2,0,0,0,0|2,0,0]=4 8634 B12R1.252 CC(O)CCNc1cncnc1 0b737784ac7e5816d1ebeb3501421956 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.252 CC(O)CCNc1ncccn1 225479af487259f3587dee9eb87e8f0e [0,2,0,0,0,0|2,0,0]=4 8636 B12R1.252 CC(O)CNCc1ccccc1 19d19f96fb686d7cbd72f5df359e9dd8 [0,2,0,0,0,0|0,0,0]=2 8637 B12R1.252 CC(O)CNCc1ccccn1 e28c29c938e18ad1238cd975f89a06a8 [0,2,0,0,0,0|1,0,0]=3 8638 B12R1.252 CC(O)CNCc1cccnc1 0379a455e7b583f17fba58d3189059b6 [0,2,0,0,0,0|1,0,0]=3 8639 B12R1.252 CC(O)CNCc1cccnn1 ca0f502bcc801933ee5c767e5093148e [0,2,0,0,0,0|2,0,0]=4 8640 B12R1.252 CC(O)CNCc1ccncc1 e21fcdc654ebe2a7b579b387cc55b8af [0,2,0,0,0,0|1,0,0]=3 8641 B12R1.252 CC(O)CNCc1ccncn1 7a5d78fb681ded42d2d147fe1c55e164 [0,2,0,0,0,0|2,0,0]=4 8642 B12R1.252 CC(O)CNCc1ccnnc1 63d088ff8ad7b93fb69e3ad1f2381588 [0,2,0,0,0,0|2,0,0]=4 8643 B12R1.252 CC(O)CNCc1cnccn1 c8835bddb9845c918606787997b443d4 [0,2,0,0,0,0|2,0,0]=4 8644 B12R1.252 CC(O)CNCc1cncnc1 151206bce7a643e1e4818f076bf8f1d9 [0,2,0,0,0,0|2,0,0]=4 8645 B12R1.252 CC(O)CNCc1ncccn1 94e03f4ed43c28d3bc90554d2a7d489e [0,2,0,0,0,0|2,0,0]=4 8646 B12R1.252 CC(S)COCc1ccccc1 a2dbb8c27ced04cd31e27a2a08aed095 [0,2,0,0,0,0|0,1,0]=3 8647 B12R1.252 CC(S)COCc1ccccn1 a4f3c7b4dcc63c52aaa45bb366b1ace4 [0,2,0,0,0,0|1,1,0]=4 8648 B12R1.252 CC(S)COCc1cccnc1 355ce467de5bbf28efe4538348b90e14 [0,2,0,0,0,0|1,1,0]=4 8649 B12R1.252 CN(C)CCNc1ccccc1 d3b2e620d30900fb427915c44cfde5dc [0,2,0,0,0,0|2,0,0]=4 8650 B12R1.252 CN(C)CNCc1ccccc1 0202e986c8da8d9c48034425b18c3dfe [0,2,0,0,0,0|2,0,0]=4 8651 B12R1.252 CN(C)COCc1ccccc1 a063060d7f5ce478c07330412cbf8447 [0,2,0,0,0,0|2,0,0]=4 8652 B12R1.252 CS(=O)CCNc1ccccc1 5cc8a55dee9bbafc2b2ae46532475526 [0,2,0,0,0,0|1,0,1]=4 8653 B12R1.252 C[C@@H](F)COCc1ccccc1 ba1a50f79e3a1a52d90fe2949f8a3658 [0,2,0,0,0,0|1,0,0]=3 8654 B12R1.252 C[C@@H](F)COCc1ccccn1 25305c43f86a522a8b001eca7d58c6e1 [0,2,0,0,0,0|2,0,0]=4 8655 B12R1.252 C[C@@H](F)COCc1cccnc1 aed0ead164612a30bbdf73120135ebce [0,2,0,0,0,0|2,0,0]=4 8656 B12R1.252 C[C@@H](O)CCNc1ccccc1 3c324f6ae4acc93f637fccf82ee7ce0d [0,2,0,0,0,0|0,0,0]=2 8657 B12R1.252 C[C@@H](O)CCNc1cccnc1 d2f9effd7c499379710e94d2300db828 [0,2,0,0,0,0|1,0,0]=3 8658 B12R1.252 C[C@@H](O)CCNc1cccnn1 cf73112336214ad7cbf0dc1846b2b8b5 [0,2,0,0,0,0|2,0,0]=4 8659 B12R1.252 C[C@@H](O)CCNc1ccncc1 1357dd9581462a38875d3aa4d1c252b3 [0,2,0,0,0,0|1,0,0]=3 8660 B12R1.252 C[C@@H](O)CCNc1ccncn1 e9c337d98b4124b083ec155c782d5afc [0,2,0,0,0,0|2,0,0]=4 8661 B12R1.252 C[C@@H](O)CCNc1cnccn1 d98d70b012f52698df30b7825b3d3f44 [0,2,0,0,0,0|2,0,0]=4 8662 B12R1.252 C[C@@H](O)CNCc1ccccc1 6c2312c00225852faacfd748f3e179a9 [0,2,0,0,0,0|0,0,0]=2 8663 B12R1.252 C[C@@H](O)CNCc1ccccn1 451f5ffb0f29e3e72e062344afb5a2f0 [0,2,0,0,0,0|1,0,0]=3 8664 B12R1.252 C[C@@H](O)CNCc1cccnc1 b84ffcc76f02e485a00f4000a256d608 [0,2,0,0,0,0|1,0,0]=3 8665 B12R1.252 C[C@@H](O)CNCc1cccnn1 cd1031e294d6f0d361dd47fa33d49ff3 [0,2,0,0,0,0|2,0,0]=4 8666 B12R1.252 C[C@@H](O)CNCc1ccncc1 ae74cf20bb99ef533f01677aac980ef0 [0,2,0,0,0,0|1,0,0]=3 8667 B12R1.252 C[C@@H](O)CNCc1ccncn1 736b6f19c1f730535787b4bd97f49fab [0,2,0,0,0,0|2,0,0]=4 8668 B12R1.252 C[C@@H](O)CNCc1ccnnc1 a6adabbfe9ec36728297c10c7c100d6e [0,2,0,0,0,0|2,0,0]=4 8669 B12R1.252 C[C@@H](O)CNCc1cnccn1 eef2e176f843886c7abc553819e37052 [0,2,0,0,0,0|2,0,0]=4 8670 B12R1.252 C[C@@H](O)CNCc1cncnc1 19165fd007380eca62afeda6cfb37644 [0,2,0,0,0,0|2,0,0]=4 8671 B12R1.252 C[C@@H](O)CNCc1ncccn1 0624e3b4e312bb88305cee2546fdfafe [0,2,0,0,0,0|2,0,0]=4 8672 B12R1.252 C[C@H](F)COCc1ccccc1 bbc793e84de595855390c7dc0e162e4e [0,2,0,0,0,0|1,0,0]=3 8673 B12R1.252 C[C@H](F)COCc1ccccn1 1c3e68e8b7d209c95b5abd8e99134585 [0,2,0,0,0,0|2,0,0]=4 8674 B12R1.252 C[C@H](F)COCc1cccnc1 0c09d4ffa6c243373fe47064ad603e31 [0,2,0,0,0,0|2,0,0]=4 8675 B12R1.252 C[C@H](O)CCNc1ccccc1 6e2f4bd6880dfbdf2c0288d2956dbdc6 [0,2,0,0,0,0|0,0,0]=2 8676 B12R1.252 C[C@H](O)CCNc1cccnc1 a74a77e227ccf23689573201eeb443f8 [0,2,0,0,0,0|1,0,0]=3 8677 B12R1.252 C[C@H](O)CCNc1cccnn1 c62b16aa58dfc3c8ac3d7053343062a4 [0,2,0,0,0,0|2,0,0]=4 8678 B12R1.252 C[C@H](O)CCNc1ccncc1 b387b9f25ac0f7430597235bfa1a1caf [0,2,0,0,0,0|1,0,0]=3 8679 B12R1.252 C[C@H](O)CCNc1ccncn1 4320134883fca98ee018037af11033ea [0,2,0,0,0,0|2,0,0]=4 8680 B12R1.252 C[C@H](O)CCNc1cnccn1 5d34a9c581c97e3e5cec72109f7ba47d [0,2,0,0,0,0|2,0,0]=4 8681 B12R1.252 C[C@H](O)CNCc1ccccc1 300dc860ca45284f1e63efe30c8515f8 [0,2,0,0,0,0|0,0,0]=2 8682 B12R1.252 C[C@H](O)CNCc1ccccn1 b271f5c0c0f30c343eeedababca7e2eb [0,2,0,0,0,0|1,0,0]=3 8683 B12R1.252 C[C@H](O)CNCc1cccnc1 4f2f0e9e68ec9a4c8887410d5a461943 [0,2,0,0,0,0|1,0,0]=3 8684 B12R1.252 C[C@H](O)CNCc1cccnn1 30faf4d5d2d2cfc53436874f05fa4323 [0,2,0,0,0,0|2,0,0]=4 8685 B12R1.252 C[C@H](O)CNCc1ccncc1 efb723b5ed38065d1ff8f191a8967ccc [0,2,0,0,0,0|1,0,0]=3 8686 B12R1.252 C[C@H](O)CNCc1ccncn1 f524766be8fbe3d3ed19bfa5c9a61a28 [0,2,0,0,0,0|2,0,0]=4 8687 B12R1.252 C[C@H](O)CNCc1ccnnc1 a7bd5629dc85409dec43db9307521148 [0,2,0,0,0,0|2,0,0]=4 8688 B12R1.252 C[C@H](O)CNCc1cnccn1 3fe1c33c64283497dd89455f2ff7b9fd [0,2,0,0,0,0|2,0,0]=4 8689 B12R1.252 C[C@H](O)CNCc1cncnc1 43c1e13a89f1e44e47019870762f2938 [0,2,0,0,0,0|2,0,0]=4 8690 B12R1.252 C[C@H](O)CNCc1ncccn1 76fcffd630239efd786e389061949a13 [0,2,0,0,0,0|2,0,0]=4 8691 B12R1.252 FC(F)CCNc1ccccc1 197e931474a81ea0a384c18be7d88578 [0,2,0,0,0,0|1,0,0]=3 8692 B12R1.252 FC(F)CCNc1ccccn1 cc81dcc876994e19229f366729c14f42 [0,2,0,0,0,0|2,0,0]=4 8693 B12R1.252 FC(F)CCNc1cccnc1 8ff2eecd22f347407ae84953032c8976 [0,2,0,0,0,0|2,0,0]=4 8694 B12R1.252 FC(F)CCNc1ccncc1 c10e0c18270587f23d4e0bc7d1e1531a [0,2,0,0,0,0|2,0,0]=4 8695 B12R1.252 FC(F)CNCc1ccccc1 b372a4b49b84fd81f05ebb43fbf5746e [0,2,0,0,0,0|1,0,0]=3 8696 B12R1.252 FC(F)CNCc1ccccn1 77bd5b4958e554940a2488a652c3c227 [0,2,0,0,0,0|2,0,0]=4 8697 B12R1.252 FC(F)CNCc1cccnc1 10faa1bbbf72a799d263592383123ca2 [0,2,0,0,0,0|2,0,0]=4 8698 B12R1.252 FC(F)CNCc1ccncc1 f3d3277b17c89093bef62c3dbc8803ae [0,2,0,0,0,0|2,0,0]=4 8699 B12R1.252 FC(F)COCc1ccccc1 2df81e9a81e7d6e6e6f5c475fa361af0 [0,2,0,0,0,0|1,0,0]=3 8700 B12R1.252 FC(F)COCc1ccccn1 0c03e4bfe601ba3a265a9d65726e12d8 [0,2,0,0,0,0|2,0,0]=4 8701 B12R1.252 FC(F)COCc1cccnc1 3532f1ad3bafa18adc371def44f6b40f [0,2,0,0,0,0|2,0,0]=4 8702 B12R1.252 FC(F)COCc1ccncc1 a025e7264740e28a91818ddabc8a4228 [0,2,0,0,0,0|2,0,0]=4 8703 B12R1.252 NC(=O)CCNc1ccccc1 e3f281a2334f3d253ae1981a98fa192d [0,2,0,0,0,0|0,0,2]=4 8704 B12R1.252 NC(=O)CNCc1ccccc1 83654b4ad4ce52b5beb58e8e02b043be [0,2,0,0,0,0|0,0,2]=4 8705 B12R1.252 NC(=O)COCc1ccccc1 eacdadd1a099559aa1699a209237e0c7 [0,2,0,0,0,0|0,0,2]=4 8706 B12R1.252 NC(=S)CCNc1ccccc1 fdd014489a9f5fc5a2655cbf4a4fb01b [0,2,0,0,0,0|0,1,1]=4 8707 B12R1.252 NC(=S)COCc1ccccc1 397a628005598ffe9bcc09a6e0a362e3 [0,2,0,0,0,0|0,1,1]=4 8708 B12R1.252 O=C(O)CCNc1ccccc1 ed7f72bbe0b1599eda9c30db2d051414 [0,2,0,0,0,0|0,0,1]=3 8709 B12R1.252 O=C(O)CCNc1ccccn1 0537ea6c1dceaf8751238bf02ee3d095 [0,2,0,0,0,0|1,0,1]=4 8710 B12R1.252 O=C(O)CCNc1cccnc1 5ce9abae26295a33d354a7af3429e5db [0,2,0,0,0,0|1,0,1]=4 8711 B12R1.252 O=C(O)CCNc1ccncc1 c76a2848f4b88ba3bf9880e1598d6cd8 [0,2,0,0,0,0|1,0,1]=4 8712 B12R1.252 O=C(O)CCOc1cccnc1 a9700a007db2ce9b0e7a0a82d7a2830b [0,2,0,0,0,0|1,0,1]=4 8713 B12R1.252 O=C(O)CNCc1ccccc1 db9e4b752c6e68fd22fb535c2b9167d2 [0,2,0,0,0,0|0,0,1]=3 8714 B12R1.252 O=C(O)CNCc1ccccn1 3c84db281076170db068c06ad4fa1558 [0,2,0,0,0,0|1,0,1]=4 8715 B12R1.252 O=C(O)CNCc1cccnc1 0f23cde99dad163ff1a43f270a6b97df [0,2,0,0,0,0|1,0,1]=4 8716 B12R1.252 O=C(O)CNCc1ccncc1 572927dbbf5d53ea5ca9341b6194c6ae [0,2,0,0,0,0|1,0,1]=4 8717 B12R1.252 O=C(O)COCc1ccccc1 a919d4e5b6621fc6b657c329a5a5b2a3 [0,2,0,0,0,0|0,0,1]=3 8718 B12R1.252 O=C(O)COCc1ccccn1 23d47dd96051fd1e4e6f2b6ade2c5861 [0,2,0,0,0,0|1,0,1]=4 8719 B12R1.252 O=C(O)COCc1cccnc1 f0ccee5ed9ee69c492f291b8d433ec22 [0,2,0,0,0,0|1,0,1]=4 8720 B12R1.252 O=C(O)COCc1ccncc1 5c10a3aeb68608515bbdc7a10de9fb73 [0,2,0,0,0,0|1,0,1]=4 8721 B12R1.252 O=S(O)CCNc1ccccc1 0ff7b55f6ed3d9a491931fe66155130d [0,2,0,0,0,0|1,0,0]=3 8722 B12R1.252 O=S(O)CCNc1ccccn1 52912e49a54a8727cdb7fa7cdbaa0329 [0,2,0,0,0,0|2,0,0]=4 8723 B12R1.252 O=S(O)CCNc1cccnc1 8f3cc3d54c366194ea7c1d90eedb2769 [0,2,0,0,0,0|2,0,0]=4 8724 B12R1.252 O=S(O)CCNc1ccncc1 1bccbbd349ab32d08b8e6cc196f228c1 [0,2,0,0,0,0|2,0,0]=4 8725 B12R1.252 O=S(O)COCc1ccccc1 b3f70ea663599ebd17c7712fcc9ee3f6 [0,2,0,0,0,0|1,0,0]=3 8726 B12R1.252 O=S(O)COCc1ccccn1 82f7ef930a26c74110028b3fbc96ff09 [0,2,0,0,0,0|2,0,0]=4 8727 B12R1.252 O=S(O)COCc1cccnc1 83e3ec94332cb681c92d904cbf5092fb [0,2,0,0,0,0|2,0,0]=4 8728 B12R1.252 O=[N+]([O-])CNCc1ccccc1 003ae0a8ef4956ccaf12e059439e2939 [0,2,0,0,0,0|1,0,1]=4 8729 B12R1.252 O=[N+]([O-])COCc1ccccc1 ee8d233480e436ac44b29eeacba4e8fe [0,2,0,0,0,0|1,0,1]=4 8730 B12R1.43 CC(C)C(C)Nc1ccccc1 48093fab6ce2f9bea5eaf7557d6a555a [0,2,0,0,0,0|2,0,0]=4 8731 B12R1.43 CC(C)N(C)Cc1ccccc1 d5edd43e495581ab07d4c878cf7efc6a [0,2,0,0,0,0|2,0,0]=4 8732 B12R1.43 CC(C)[C@@H](C)Nc1ccccc1 638de983f09ad8573a19e829866f679b [0,2,0,0,0,0|2,0,0]=4 8733 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 37a4cc2968d8598e2dd44bb0f3ee65d4 [0,2,0,0,0,0|2,0,0]=4 8734 B12R1.43 CC(O)C(C)Nc1ccccc1 807016486516eda629177f9c4eb1e753 [0,2,0,0,0,0|1,0,0]=3 8735 B12R1.43 CC(O)C(C)Nc1cccnc1 16f61952065d032141860c15b03f12c0 [0,2,0,0,0,0|2,0,0]=4 8736 B12R1.43 C[C@@H](Nc1ccccc1)C(F)F 0725725b1a04a0d41d2316c9b2ed73b0 [0,2,0,0,0,0|2,0,0]=4 8737 B12R1.43 C[C@H](Nc1ccccc1)C(F)F 14231ae717c62ec767200c948d4825fd [0,2,0,0,0,0|2,0,0]=4 8738 B12R1.43 O=C(O)C(F)Nc1ccccc1 c5ce312e32f06c5c8ff8fb1426824373 [0,2,0,0,0,0|1,0,1]=4 8739 B12R1.43 O=C(O)[C@H](F)Nc1ccccc1 a79b4fb1f0a48c194a6531a29520d20f [0,2,0,0,0,0|1,0,1]=4 8740 B12R1.118 C=C[C@@H](CO)Nc1ccccc1 1f3da2dad53331dc21e491e025398272 [0,2,0,0,0,0|1,0,0]=3 8741 B12R1.118 C=C[C@@H](CO)Nc1ccccn1 b329b423406d8ba6908d52526853a73b [0,2,0,0,0,0|2,0,0]=4 8742 B12R1.118 C=C[C@@H](CO)Nc1cccnc1 e51b5e6d78d7e3ae98dec5257b614433 [0,2,0,0,0,0|2,0,0]=4 8743 B12R1.118 C=C[C@@H](CO)Nc1ccncc1 0cca62338f5382a964f2dec3552b9a47 [0,2,0,0,0,0|2,0,0]=4 8744 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [0,2,0,0,0,0|2,0,0]=4 8745 B12R1.118 CCC(CC)Nc1ccccc1 62a5bbda4663c06f44e205dbfccb7cfa [0,2,0,0,0,0|2,0,0]=4 8746 B12R1.118 CCC(CO)Nc1ccccc1 4bbd0090e2c789b85e6c79fc920a972e [0,2,0,0,0,0|1,0,0]=3 8747 B12R1.118 CCC(CO)Nc1ccccn1 2181b4d61311c9e330e2e4a095a20d89 [0,2,0,0,0,0|2,0,0]=4 8748 B12R1.118 CCC(CO)Nc1cccnc1 ab690edd9c53b8ad72b7a2f868d4b9cb [0,2,0,0,0,0|2,0,0]=4 8749 B12R1.118 CCC(CO)Nc1ccncc1 8aab547416d07b24f651f076f2925f6a [0,2,0,0,0,0|2,0,0]=4 8750 B12R1.118 CCN(C=O)Cc1ccccc1 05bd4b36907bafd365c275012bc499e0 [0,2,0,0,0,0|2,0,0]=4 8751 B12R1.118 CCN(CO)Cc1ccccn1 8e76f32a0ced6146e44e26ac9887661d [0,2,0,0,0,0|2,0,0]=4 8752 B12R1.118 CCN(CO)Cc1cccnc1 7dd669529cc1c96070ab5b5cfa08c387 [0,2,0,0,0,0|2,0,0]=4 8753 B12R1.118 CCN(CO)Cc1ccncc1 2a23d90d5b8673791ee931cd8c6c21b3 [0,2,0,0,0,0|2,0,0]=4 8754 B12R1.118 CC[C@@H](CO)Nc1ccccc1 4e6d1044dff6b69bba19855888009bcf [0,2,0,0,0,0|1,0,0]=3 8755 B12R1.118 CC[C@@H](CO)Nc1cccnc1 f05c3f8431351c797a7cca5153cca11c [0,2,0,0,0,0|2,0,0]=4 8756 B12R1.118 CC[C@H](CO)Nc1ccccc1 6e84965dfbcccf2d9d399d53a4428cff [0,2,0,0,0,0|1,0,0]=3 8757 B12R1.118 CC[C@H](CO)Nc1cccnc1 7165d8fd3e622da53cd91836a6210b4c [0,2,0,0,0,0|2,0,0]=4 8758 B12R1.118 N#CN(CO)Cc1cccnc1 31df0ec9bf69e66c3d1c16c3f87ebfec [0,2,0,0,0,0|2,0,0]=4 8759 B12R1.118 OCC(CO)Nc1ccccc1 c6d188a322ff4dea1d0ad1799b765f49 [0,2,0,0,0,0|1,0,0]=3 8760 B12R1.118 OCC(CO)Nc1ccccn1 f8671496cdd0b9ae31b2e86215c96510 [0,2,0,0,0,0|2,0,0]=4 8761 B12R1.118 OCC(CO)Nc1cccnc1 1c3e06491a2ecd20c68a2060ccf00f2b [0,2,0,0,0,0|2,0,0]=4 8762 B12R1.118 OCC(CO)Nc1ccncc1 17073c744f98e1922427e8132e3d47d2 [0,2,0,0,0,0|2,0,0]=4 8763 B12R1.118 OCC(CO)Oc1ccccn1 cb1ffcdcac9e8fd5fe395e88ed50b040 [0,2,0,0,0,0|2,0,0]=4 8764 B12R1.118 OCC(CO)Oc1cccnc1 56f2e8a9cfa225dc92bf293f1fc04855 [0,2,0,0,0,0|2,0,0]=4 8765 B12R1.118 OCC(CO)Oc1ccncc1 9d0e5a08e7dc9069f5893f93c23d12e0 [0,2,0,0,0,0|2,0,0]=4 8766 B12R1.194 CC(C)(CF)Nc1ccccc1 b6beb5eadcdeb337f0158c8ad0d8b555 [0,2,0,0,0,0|2,0,0]=4 8767 B12R1.194 CC(C)(CO)Nc1ccccc1 30670d11326256bdda695fca46d82a64 [0,2,0,0,0,0|1,0,0]=3 8768 B12R1.194 CC(C)(CO)Nc1cccnc1 1f0639d7c8fc136873e0aeb22496de83 [0,2,0,0,0,0|2,0,0]=4 8769 B12R1.194 CCC(C)(C)Nc1ccccc1 17a09be9f9cdec5da28d382a8493f798 [0,2,0,0,0,0|2,0,0]=4 8770 B12R1.891 CC(C)(C)CNc1ccccc1 866f0c000f012585c56b315997251133 [0,2,0,0,0,0|2,0,0]=4 8771 B12R1.891 CC(C)(C)NCc1ccccc1 7201c1c22c9fa04427965e3124c0e1d6 [0,2,0,0,0,0|2,0,0]=4 8772 B12R1.891 CC(C)(F)CNc1ccccc1 b0242d6e7e1a9c8e30a280dd6d0dab3d [0,2,0,0,0,0|2,0,0]=4 8773 B12R1.891 CC(C)(O)CNc1ccccc1 f100447f9f947bdcf8b3cb6f09283ae4 [0,2,0,0,0,0|1,0,0]=3 8774 B12R1.891 CC(C)(O)CNc1ccccn1 cf6912f661b3c01ae5b5537abe66db21 [0,2,0,0,0,0|2,0,0]=4 8775 B12R1.891 CC(C)(O)CNc1cccnc1 71ecef7e440c1fa3a1e1bd94fd82e500 [0,2,0,0,0,0|2,0,0]=4 8776 B12R1.891 CC(C)(O)CNc1ccncc1 1bed3845b568ed539a76759be48529f6 [0,2,0,0,0,0|2,0,0]=4 8777 B12R1.891 CC(C)(O)COc1ccccn1 fa2c8c78bdb754150fd86ac274e44221 [0,2,0,0,0,0|2,0,0]=4 8778 B12R1.891 CC(C)(O)COc1cccnc1 a9de8f0e83ed901e6844ff45d51f92a8 [0,2,0,0,0,0|2,0,0]=4 8779 B12R1.891 CC(C)(O)COc1ccncc1 c2673769e1a688b3690e43a7ffdece7f [0,2,0,0,0,0|2,0,0]=4 8780 B12R1.891 CC(F)(F)CNc1ccccc1 082b0f20fce6d46920eb2d5531e00578 [0,2,0,0,0,0|2,0,0]=4 8781 B12R1.891 FC(F)(F)CNc1ccccc1 f45959f2448e685ddbe28f96778505f8 [0,2,0,0,0,0|2,0,0]=4 8782 B12R1.891 O=S(=O)(O)CNc1ccccc1 6677b656bffd58623a47a06fa430ba01 [0,2,0,0,0,0|2,0,0]=4 8783 B12R2.294 Sc1ccc(cc1)NC2CC2 0824eade139ba6c64308f26ae03b3bd0 [0,1,0,1,0,0|2,0,0]=4 8784 B12R2.27 CCN1CC1c2ccccc2 9688627107d4117581407497e721ccee [0,1,0,1,0,0|1,0,0]=3 8785 B12R2.27 CCN1C[C@@H]1c2ccccc2 c32dec6f3160b9b7bc8c2839caf72878 [0,1,0,1,0,0|1,0,0]=3 8786 B12R2.27 FCN1CC1c2ccccc2 961cd8c1338ecdce6a27ac300fedcc98 [0,1,0,1,0,0|1,0,0]=3 8787 B12R2.27 FCN1C[C@@H]1c2ccccc2 186c23a739812eaa2456c8641683ea36 [0,1,0,1,0,0|1,0,0]=3 8788 B12R2.27 O=CN1CC1c2ccccc2 762f19a034f772a367d3e7ac6806d5e0 [0,1,0,1,0,0|0,0,2]=4 8789 B12R2.27 O=CN1C[C@@H]1c2ccccc2 3cd739dd6b25e8af9413dc2836c79b56 [0,1,0,1,0,0|0,0,2]=4 8790 B12R2.27 OCN1CC1c2ccccc2 380946bf56a518a4f82b6f06607820f1 [0,1,0,1,0,0|0,0,0]=2 8791 B12R2.27 OCN1C[C@@H]1c2ccccc2 b0131158d23691f2ccd2899d00b705c5 [0,1,0,1,0,0|0,0,0]=2 8792 B12R2.931 CCOC1Cc2c1cccc2 3c89ff4e209e0c2fdac6354471a794bb [0,1,0,1,0,0|1,0,0]=3 8793 B12R2.931 FCOC1Cc2c1cccc2 8a2a59b07ef62954890e5ca9132b929f [0,1,0,1,0,0|1,0,0]=3 8794 B12R2.931 N#CNC1Cc2c1cccc2 4acf83ea777f3f4bc9a4041ee13e4a3e [0,1,0,1,0,0|1,0,1]=4 8795 B12R2.32 CCN1Cc2ccccc2C1 20c2942768350a956e6d394a0b65e9b5 [0,1,0,1,0,0|2,0,0]=4 8796 B12R2.32 FCN1Cc2ccccc2C1 6ebe33568e88966b195306172afa5c83 [0,1,0,1,0,0|2,0,0]=4 8797 B12R2.32 OCN1Cc2ccccc2C1 67d53a903b838c41ecebb3a336e33160 [0,1,0,1,0,0|1,0,0]=3 8798 B12R2.32 OCN1Cc2cccnc2C1 95b006eb218084c5021f92d2645268ce [0,1,0,1,0,0|2,0,0]=4 8799 B12R2.32 OCN1Cc2ccncc2C1 c230a7a6f54e7188e3946b67f3c03eeb [0,1,0,1,0,0|2,0,0]=4 8800 B12R2.225 Clc1ccccc1OC2CC2 a4bab8f7130a623ddfe359429eb2845e [0,1,0,1,0,0|2,0,0]=4 8801 B12R2.1286 Brc1cccc(c1)OC2CC2 86a1316c992baf3081c1c927bc09a287 [0,1,0,1,0,0|2,0,0]=4 8802 B12R2.1286 Cc1cccc(c1)NC2CC2 5416fc1bda4e7fcd886b594e4b5d1c15 [0,1,0,1,0,0|2,0,0]=4 8803 B12R2.1286 Cc1cccc(c1)OC2CC2 c5e41ef21eaec44bf0109887340004b0 [0,1,0,1,0,0|2,0,0]=4 8804 B12R2.1286 Clc1cccc(c1)NC2CC2 da0b3d09a41ad9d3b62eef57d7091303 [0,1,0,1,0,0|2,0,0]=4 8805 B12R2.1286 Clc1cccc(c1)OC2CC2 3517e32596ee199dca8f3a8989d328df [0,1,0,1,0,0|2,0,0]=4 8806 B12R2.1286 Fc1cccc(c1)NC2CC2 f9cd48a2521ccf98e9a7217233e95127 [0,1,0,1,0,0|2,0,0]=4 8807 B12R2.1286 Fc1cccc(c1)OC2CC2 fd5bcec64f0f04cfa2f0c44c0567737a [0,1,0,1,0,0|2,0,0]=4 8808 B12R2.1286 Ic1cccc(c1)OC2CC2 c806530f93f705072682a29e36637503 [0,1,0,1,0,0|2,0,0]=4 8809 B12R2.1286 Sc1cccc(c1)OC2CC2 5fb16c6390673deaae2d1fc21856fb80 [0,1,0,1,0,0|2,0,0]=4 8810 B12R2.1 CCN1CCc2c1cccn2 c6dc67a825bc35ffc313764f68fe419e [0,1,0,1,0,0|2,0,0]=4 8811 B12R2.1 CCN1CCc2c1ccnc2 1336a1241175b4a8fca67f4db3577c1b [0,1,0,1,0,0|2,0,0]=4 8812 B12R2.1 CCN1CCc2c1cncc2 28fbe5c10ed83bf591b4c3945d902409 [0,1,0,1,0,0|2,0,0]=4 8813 B12R2.1 CCN1CCc2c1nccc2 12def77c50510f33b92190b9b59aae18 [0,1,0,1,0,0|2,0,0]=4 8814 B12R2.1 FCN1CCc2c1cccn2 4377bfe78ba7f41c2b687c6b1c905846 [0,1,0,1,0,0|2,0,0]=4 8815 B12R2.1 FCN1CCc2c1cncc2 abff8c9c8f2767321dc8e650048f7236 [0,1,0,1,0,0|2,0,0]=4 8816 B12R2.1 FCN1CCc2c1nccc2 9141164ad6d29af56584f279428a9be4 [0,1,0,1,0,0|2,0,0]=4 8817 B12R2.1 O=CN1CCc2c1cccc2 952fb58dcbced8913394c41c3e29378e [0,1,0,1,0,0|0,0,2]=4 8818 B12R2.1 OCN1CCc2c1cccc2 b6afa4fa6bad5e1cd18ef7eeaa43164b [0,1,0,1,0,0|0,0,0]=2 8819 B12R2.1 OCN1CCc2c1cccn2 6bc3bb677f88da8fd8301f0c9a392f1b [0,1,0,1,0,0|1,0,0]=3 8820 B12R2.1 OCN1CCc2c1ccnc2 a76413ee6f28e7676135b29e9ea6001b [0,1,0,1,0,0|1,0,0]=3 8821 B12R2.1 OCN1CCc2c1cncc2 6f9b8a4d65c1bbdd614762f05d2461d7 [0,1,0,1,0,0|1,0,0]=3 8822 B12R2.1 OCN1CCc2c1nccc2 a47c7d48541048f1d1671782051639e3 [0,1,0,1,0,0|1,0,0]=3 8823 B12R2.1 OCN1CCc2c1nccn2 f033df3ade04e8da35a0353fed6500eb [0,1,0,1,0,0|2,0,0]=4 8824 B12R2.1 OCN1CCc2c1ncnc2 5fdf869239b44fed0639cd827007a478 [0,1,0,1,0,0|2,0,0]=4 8825 B12R2.11 CC1CC1Nc2ccccc2 6c2b1ed9451679c2c2b0f3748602bd6d [0,1,0,1,0,0|1,0,0]=3 8826 B12R2.11 CC1CC1Nc2cccnc2 e0f55178f08b4b2b54d9d876d97d2290 [0,1,0,1,0,0|2,0,0]=4 8827 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccccc2 25c07123a823d9ea2969aff7da72cef4 [0,1,0,1,0,0|1,0,0]=3 8828 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccccn2 fc41faec2161d9bc088f35169f0fc9e1 [0,1,0,1,0,0|2,0,0]=4 8829 B12R2.11 F[C@@H]1C[C@@H]1Nc2cccnc2 9a55f17e12e7bd55a0d9204d46e602d2 [0,1,0,1,0,0|2,0,0]=4 8830 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccncc2 e875be7aa53cc8868d0dc6f2280dccb1 [0,1,0,1,0,0|2,0,0]=4 8831 B12R2.11 F[C@@H]1C[C@H]1Nc2ccccc2 b0efbced164dabbe532e6255951097b4 [0,1,0,1,0,0|1,0,0]=3 8832 B12R2.11 F[C@@H]1C[C@H]1Nc2ccccn2 fc17ffe1e9ad6aa28e2159d2a121a181 [0,1,0,1,0,0|2,0,0]=4 8833 B12R2.11 F[C@@H]1C[C@H]1Nc2cccnc2 0d6be40ecda6b776d8730416c6199b26 [0,1,0,1,0,0|2,0,0]=4 8834 B12R2.11 F[C@@H]1C[C@H]1Nc2ccncc2 9a1a1d0be717c0e6f1c430f271f30434 [0,1,0,1,0,0|2,0,0]=4 8835 B12R2.11 F[C@H]1C[C@@H]1Nc2ccccc2 e610ffc6a467ed241d6c7f91606b201b [0,1,0,1,0,0|1,0,0]=3 8836 B12R2.11 F[C@H]1C[C@@H]1Nc2ccccn2 59b89bc513bfcbe6b29399fe485506d9 [0,1,0,1,0,0|2,0,0]=4 8837 B12R2.11 F[C@H]1C[C@@H]1Nc2cccnc2 8475542138490fb913b76b598d12ad5e [0,1,0,1,0,0|2,0,0]=4 8838 B12R2.11 F[C@H]1C[C@@H]1Nc2ccncc2 f538efd1a15bc37e881d8b371d907da9 [0,1,0,1,0,0|2,0,0]=4 8839 B12R2.2057 c1cc(ccn1)COC2CC2 da3247f4bbaea1ae4c65fbee8045d76d [0,1,0,1,0,0|2,0,0]=4 8840 B12R2.2057 c1cc(ccn1)NCC2CC2 849918da92a0c0498a218bfd0f4ee058 [0,1,0,1,0,0|2,0,0]=4 8841 B12R2.2057 c1cc(ccn1)OCC2CC2 c00853e2b14f5a610ec89d61eadf6a66 [0,1,0,1,0,0|2,0,0]=4 8842 B12R2.2057 c1ccc(cc1)CNC2CC2 0722218fcfefdcb8b8f0e8dc60326858 [0,1,0,1,0,0|1,0,0]=3 8843 B12R2.2057 c1ccc(cc1)COC2CC2 4f6efb1abdd284b3ec5fbe724b10a332 [0,1,0,1,0,0|1,0,0]=3 8844 B12R2.2057 c1ccc(cc1)NCC2CC2 14003b7d6af1ed476ecb017534f042ad [0,1,0,1,0,0|1,0,0]=3 8845 B12R2.2057 c1ccc(nc1)CNC2CC2 072625a4614190be9cbf10388fa5861b [0,1,0,1,0,0|2,0,0]=4 8846 B12R2.2057 c1ccc(nc1)COC2CC2 abde439d2a0ddaaa61aa7afca3b1da4d [0,1,0,1,0,0|2,0,0]=4 8847 B12R2.2057 c1ccc(nc1)NCC2CC2 a4bb220accadbaa000279249a4daf5cf [0,1,0,1,0,0|2,0,0]=4 8848 B12R2.2057 c1ccc(nc1)OCC2CC2 05ede210d3ae4cc4a2c3f7154d855ada [0,1,0,1,0,0|2,0,0]=4 8849 B12R2.2057 c1cncc(c1)CNC2CC2 de74061854556603c3b7f6c7b31bcca1 [0,1,0,1,0,0|2,0,0]=4 8850 B12R2.2057 c1cncc(c1)COC2CC2 4f1f4bbe9c5cccaf786a2469b1a1b939 [0,1,0,1,0,0|2,0,0]=4 8851 B12R2.2057 c1cncc(c1)NCC2CC2 116af6c2af65d4c96c0cfbf27938bace [0,1,0,1,0,0|2,0,0]=4 8852 B12R2.2057 c1cncc(c1)OCC2CC2 6e3515b4fef3884dcd9b31bc8938b0e1 [0,1,0,1,0,0|2,0,0]=4 8853 B12R2.2058 c1cc(ccn1)NC2CCC2 ff52b84334e7a4aaf2d6969c56a15034 [0,1,0,1,0,0|2,0,0]=4 8854 B12R2.2058 c1cc(ccn1)NC2COC2 14d953918d7dcb02ab6c12f780d085b6 [0,1,0,1,0,0|2,0,0]=4 8855 B12R2.2058 c1cc(ccn1)OC2COC2 bdc70c71b5050b9cdb045af1479dc30f [0,1,0,1,0,0|2,0,0]=4 8856 B12R2.2058 c1ccc(cc1)CN2CCC2 79f0a156a4476249fe3e90dbe2fa6274 [0,1,0,1,0,0|1,0,0]=3 8857 B12R2.2058 c1ccc(cc1)NC2COC2 638d2081ed3e07246cd09300ecb8f6dc [0,1,0,1,0,0|1,0,0]=3 8858 B12R2.2058 c1ccc(nc1)CN2CCC2 ad09a5bf93c910029918799e4e089e07 [0,1,0,1,0,0|2,0,0]=4 8859 B12R2.2058 c1ccc(nc1)NC2CCC2 fb43cdd397450ab6a78add51a3593170 [0,1,0,1,0,0|2,0,0]=4 8860 B12R2.2058 c1ccc(nc1)OC2CCC2 01ad94c84aae3cf4e74cc0f7661c85b5 [0,1,0,1,0,0|2,0,0]=4 8861 B12R2.2058 c1ccc(nc1)OC2COC2 e57c93d451b0b6b991d0fd1596a311ca [0,1,0,1,0,0|2,0,0]=4 8862 B12R2.2058 c1cncc(c1)CN2CCC2 b1361fa162d89a1875554b0e74a89d35 [0,1,0,1,0,0|2,0,0]=4 8863 B12R2.2058 c1cncc(c1)NC2CCC2 dd91e6f1e99e09367d72a057d00ff1a5 [0,1,0,1,0,0|2,0,0]=4 8864 B12R2.2058 c1cncc(c1)NC2COC2 2aae7bd2fd3ce1179be00cfde2c027d7 [0,1,0,1,0,0|2,0,0]=4 8865 B12R2.2058 c1cncc(c1)OC2CCC2 7a6fdcb9cb0be6f7ba06c65562ff0c48 [0,1,0,1,0,0|2,0,0]=4 8866 B12R2.2058 c1cncc(c1)OC2COC2 a8dd711f09c8c96411b2f1503a563f21 [0,1,0,1,0,0|2,0,0]=4 8867 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [1,0,0,0,1,0|2,0,0]=4 8868 B8R1.8 CCNc1ccsc1 cda8850b0edc8792e319ed7aad994bf3 [1,0,0,0,1,0|2,0,0]=4 8869 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [1,0,0,0,1,0|2,0,0]=4 8870 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [1,0,0,0,1,0|2,0,0]=4 8871 B8R1.8 CCOc1ccsc1 e97ca04b8e5d46ec67b2ebe625463cd4 [1,0,0,0,1,0|2,0,0]=4 8872 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [1,0,0,0,1,0|2,0,0]=4 8873 B8R1.8 OCNc1ccsc1 baaeacb9206ca69c746a94490c876825 [1,0,0,0,1,0|2,0,0]=4