0 B10R1.66 C=C(Br)CNc1ccco1 46cb655391dd7ee0099e3f68361df23b [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 C=C(Br)COc1ccco1 d0b6cd16dd8f8a048de010b54cb1126a [0,0,0,0,0,0|3,0,1]=4 2 B10R1.66 C=C(C)CNc1cccs1 d16c7a810bce5bfe2c251346fc272f1b [0,0,0,0,0,0|3,1,0]=4 3 B10R1.66 C=C(C)CNc1ccno1 e81af668258a6501f050fe1cde60bb8a [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 C=C(C)CNc1ncco1 0ca709ff7fbabcdc574e2630eee794e2 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 C=C(C)COc1ccco1 b3f905ff0261eb167bbdc638ad76153d [0,0,0,0,0,0|3,0,0]=3 6 B10R1.66 C=C(C)COc1cccs1 ba490c6192f94efd35b9a3807f014ce8 [0,0,0,0,0,0|3,1,0]=4 7 B10R1.66 C=C(Cl)COc1ccco1 aba02f3358eca90651a93a5b886bb155 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.66 C=C(F)COc1ccco1 a2f9f6f7135fa61d0ed061da3bb59ad7 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.66 CC(=O)CCN1CC=CC1 d04908ad57d8c9933021e4d53682901f [0,0,0,0,0,0|3,0,1]=4 10 B10R1.66 CC(=O)CNc1c[nH]cn1 be2bea778bbeba0f31cba71636f977f9 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 CC(=O)CNc1ccco1 a59c8e4ff03257d947231d2e71f4d6c9 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.66 CC(=O)CNc1cccs1 cd83157d86433e62c17b868e5fb1470c [0,0,0,0,0,0|2,1,0]=3 13 B10R1.66 CC(=O)CNc1ccns1 8a92cdd13240b83844dafa37c1c87abc [0,0,0,0,0,0|3,1,0]=4 14 B10R1.66 CC(=O)CNc1ccoc1 f96f84316e97865366e82ff70b21a405 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.66 CC(=O)CNc1ccsc1 264cfd5bd6905699df6036299a4d94ea [0,0,0,0,0,0|4,0,0]=4 16 B10R1.66 CC(=O)CNc1cncs1 08e34da9bd442eefd33450d52d14bc76 [0,0,0,0,0,0|3,1,0]=4 17 B10R1.66 CC(=O)CNc1cscn1 482c21989e7459cf1cfac3954fb324f0 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.66 CC(=O)CNc1nccs1 77a4f07613bba7bf49318b232ac5c431 [0,0,0,0,0,0|3,1,0]=4 19 B10R1.66 CC(=O)NCC1CC=CC1 fc1eefe51a17cea0ec5688a6927b0e1b [0,0,0,0,0,0|2,0,2]=4 20 B10R1.66 CC(=O)NCc1ccco1 88956646aad494b49b38617dc9c4b71b [0,0,0,0,0,0|1,0,0]=1 21 B10R1.66 CC(=O)NCc1cccs1 f628a56aae62b1b399cb045563e5a584 [0,0,0,0,0,0|1,1,0]=2 22 B10R1.66 CC(=O)NCc1ccno1 23171c461f7c76fb2a080276054f467a [0,0,0,0,0,0|2,0,0]=2 23 B10R1.66 CC(=O)NCc1ccns1 f18c0206268e4f0158791ee7d4b44adb [0,0,0,0,0,0|2,1,0]=3 24 B10R1.66 CC(=O)NCc1ccoc1 ce9871ea53622fcc38533d8f5672809d [0,0,0,0,0,0|3,0,0]=3 25 B10R1.66 CC(=O)NCc1ccon1 5c65e5956a6b69a35911040d15d7c19a [0,0,0,0,0,0|3,0,0]=3 26 B10R1.66 CC(=O)NCc1ccsc1 32c7f46af3edcc14e3d5f823406c656c [0,0,0,0,0,0|3,0,0]=3 27 B10R1.66 CC(=O)NCc1ccsn1 612816c731f283ec818c1ce3ed185f54 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.66 CC(=O)NCc1cnco1 2f9cdc814f8776fe414302b1109682db [0,0,0,0,0,0|2,0,0]=2 29 B10R1.66 CC(=O)NCc1cncs1 ec5ecc8d905108c74de005c1c70641d3 [0,0,0,0,0,0|2,1,0]=3 30 B10R1.66 CC(=O)NCc1cnoc1 3a77bef0085ef939cf7657711c85b32d [0,0,0,0,0,0|4,0,0]=4 31 B10R1.66 CC(=O)NCc1cnsc1 5360a9f0ca8024aec48880c0ca08d867 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.66 CC(=O)NCc1cocn1 8ce50f68f5fa07856aef854923c4aaad [0,0,0,0,0,0|3,0,0]=3 33 B10R1.66 CC(=O)NCc1cscn1 7bbb3e803cbe4292859eedd99dcc8b12 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.66 CC(=O)NCc1ncco1 6519ae7ebb18199243fcd7f03af8a730 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.66 CC(=O)NCc1nccs1 d681868309a7cd5cf6bf7a2c5c44b5ed [0,0,0,0,0,0|2,1,0]=3 36 B10R1.66 CC(=O)OCN1CC=CC1 2ac2e6705215aca1421ec87f555a230b [0,0,0,0,0,0|2,0,1]=3 37 B10R1.66 CC(C)COc1ccco1 9a23c54afcd88900faea26a95d44c122 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.66 CC(C)NCc1ccc[nH]1 c8f8c41b508c6a9e408dd2699920d8e8 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.66 CC(C)NCc1ccco1 e2693f4935da627db7fd450f0265afc1 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.66 CC(C)NCc1cccs1 542111b118739a23c6a7d49f5267f947 [0,0,0,0,0,0|2,1,1]=4 41 B10R1.66 CC(C)NCc1ccno1 8048c2b4942dbf51099ed0a206f8f6e8 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.66 CC(C)NCc1cnco1 efb9476d66687f153835d5c1b16a9ef7 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.66 CC(C)NCc1ncco1 05025edf840bc375a3c3e26d0a96ccdf [0,0,0,0,0,0|3,0,1]=4 44 B10R1.66 CC(C)OCc1cc[nH]c1 a9c2c1df43af3abc4356f95c5822d5bb [0,0,0,0,0,0|3,0,1]=4 45 B10R1.66 CC(C)OCc1ccc[nH]1 4dddb07a03dc24f89786ddb418b6d01e [0,0,0,0,0,0|2,0,1]=3 46 B10R1.66 CC(C)OCc1ccco1 e50c3d4d785de91a25589c3a50142414 [0,0,0,0,0,0|1,0,1]=2 47 B10R1.66 CC(C)OCc1cccs1 3e503778417dd68d76dc700a03f16b0b [0,0,0,0,0,0|1,1,1]=3 48 B10R1.66 CC(C)OCc1ccn[nH]1 b380a3051bf7f84021622f110abdbabe [0,0,0,0,0,0|3,0,1]=4 49 B10R1.66 CC(C)OCc1ccno1 7aa10af430b7d91c055f89d0f51bdadf [0,0,0,0,0,0|2,0,1]=3 50 B10R1.66 CC(C)OCc1ccns1 974609377e43674cd300fd1034a4af96 [0,0,0,0,0,0|2,1,1]=4 51 B10R1.66 CC(C)OCc1ccon1 252132f0250b7632c0981147e582939e [0,0,0,0,0,0|3,0,1]=4 52 B10R1.66 CC(C)OCc1ccsc1 08ab63ccd9d7e1df75755ae18202bc9e [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 CC(C)OCc1ccsn1 8203d1b50ed6f4596857671d1947b0be [0,0,0,0,0,0|3,0,1]=4 54 B10R1.66 CC(C)OCc1cnc[nH]1 bb1bf39c5bb5255371cc403ef1428dbd [0,0,0,0,0,0|3,0,1]=4 55 B10R1.66 CC(C)OCc1cnco1 781339a65a14a684e1aece08a96ac865 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.66 CC(C)OCc1cocn1 159fec773b3fafb15cd023271814549c [0,0,0,0,0,0|3,0,1]=4 57 B10R1.66 CC(C)OCc1cscn1 506db1ae3836bb33a279f7b4860243c2 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.66 CC(C)OCc1ncc[nH]1 4f8abc9f8226af879e8f8c9f739662cf [0,0,0,0,0,0|3,0,1]=4 59 B10R1.66 CC(C)OCc1ncco1 1190308edda12fa27f2bcbfd35f45044 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.66 CC(C)OCc1nccs1 66f5cc0d46db91ea6d4f583edb5d25ae [0,0,0,0,0,0|2,1,1]=4 61 B10R1.66 CC(C)OCc1ncno1 4d4d401596a1104799b00fe0f76499c7 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.66 CC(C)OCc1nnco1 7c606ea166cb73407ea44c84fc8774a6 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.66 CC(C)OCn1cccn1 71731519586bcbca8a5b3b3e03dd9986 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.66 CN(C)COc1ccco1 c10f1087d88a829336b344ddc05de043 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.66 NC(=O)CNc1ccco1 382c54ff125dc94771cf8fb1720983d9 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.66 NC(=O)CNc1cccs1 c1848d6f8f82234eb7410dbb98641bc4 [0,0,0,0,0,0|3,1,0]=4 67 B10R1.66 NC(=O)CNc1ccno1 9acc666c5eefa558f126b1961e956b46 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.66 NC(=O)CNc1ncco1 fbf6a938366b6f1a796a59255db001be [0,0,0,0,0,0|4,0,0]=4 69 B10R1.66 NC(=O)COc1ccco1 1a2e54051ed18393ef61d43ef5486554 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.66 NC(=O)COc1cccs1 6d788ab9a430fdaac4ae196a6438a596 [0,0,0,0,0,0|3,1,0]=4 71 B10R1.66 O=C(O)CNc1cccs1 4058449a8cebe920b6e952aa38581266 [0,0,0,0,0,0|3,1,0]=4 72 B10R1.66 O=C(O)CNc1ccno1 375180111439d2c3a881638818b3cb4d [0,0,0,0,0,0|4,0,0]=4 73 B10R1.66 O=C(O)CNc1ncco1 9cee89407c4dddbde9fb6861286ad5b4 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.66 O=C(O)COc1ccco1 6b958b8d422d5fb1092e70422390022e [0,0,0,0,0,0|3,0,0]=3 75 B10R1.66 O=C(O)COc1cccs1 21851641d4378df5c5d5c2979c3c711b [0,0,0,0,0,0|3,1,0]=4 76 B10R1.66 O=[N+]([O-])COc1ccco1 539b21af5fa1c2f96f80cb505519c8fc [0,0,0,0,0,0|4,0,0]=4 77 B9R1.12 C=CCOc1ccco1 718f2f5554bee89c19d4febc6556b9e4 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [1,0,0,0,0,0|2,0,1]=4 80 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [1,0,0,0,0,0|1,1,1]=4 82 B9R1.12 CCNCc1ccno1 e3d071a4a6a6b5a56e413f5bc114cce7 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.12 CCNCc1cnco1 1035caf61cdb047204144eeeaf71318d [1,0,0,0,0,0|2,0,1]=4 84 B9R1.12 CCNCc1ncco1 d59ea2eedd26cb1a330141171d90cbfb [1,0,0,0,0,0|2,0,1]=4 85 B9R1.12 CCOCc1cc[nH]c1 59d617c736c503e8fe59f893e6c21bac [1,0,0,0,0,0|2,0,1]=4 86 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [1,0,0,0,0,0|0,0,1]=2 88 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [1,0,0,0,0,0|0,1,1]=3 89 B9R1.12 CCOCc1ccn[nH]1 d7f28e0a081f68ec795d8d4391069dd7 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.12 CCOCc1ccno1 68fd73c165a46ff5a6360ea6e6f9c37e [1,0,0,0,0,0|1,0,1]=3 91 B9R1.12 CCOCc1ccns1 01d522fece72fce5cf6b304cfc953d98 [1,0,0,0,0,0|1,1,1]=4 92 B9R1.12 CCOCc1ccon1 c3dd8303abc344854e3a20eb862deac2 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.12 CCOCc1ccsc1 386d4e7246ff291707b3e218c5edbe51 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.12 CCOCc1ccsn1 85325b8df299b4348765c5ae4f3bbc2a [1,0,0,0,0,0|2,0,1]=4 95 B9R1.12 CCOCc1cnc[nH]1 9627bc2d6cb500602677f06a6a7d9bf4 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.12 CCOCc1cnco1 682660b9b5fafc169b6b4f8ad83fea44 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.12 CCOCc1cncs1 8515774c41cb1b7c89894f4d4fd2f475 [1,0,0,0,0,0|1,1,1]=4 98 B9R1.12 CCOCc1cocn1 8d5c6b8af6fe755487d9214435b13700 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.12 CCOCc1cscn1 77c64af51f4fa6cafcbef73604cf106e [1,0,0,0,0,0|2,0,1]=4 100 B9R1.12 CCOCc1ncc[nH]1 cf0678147462fc427b9541c5f3d75f6c [1,0,0,0,0,0|2,0,1]=4 101 B9R1.12 CCOCc1ncco1 7b912d50833e4919d9e0630ebdd06bd0 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.12 CCOCc1nccs1 42a4ef0c68f9f4ccf7685ffa2d58e68a [1,0,0,0,0,0|1,1,1]=4 103 B9R1.12 CCOCc1ncno1 8d655f7a5ef9265f987e9df722e5651d [1,0,0,0,0,0|2,0,1]=4 104 B9R1.12 CCOCc1nnco1 3cbc316232cad985ae2ba8645ef2d50e [1,0,0,0,0,0|2,0,1]=4 105 B9R1.12 CCOCn1cccn1 75e33447e70b4a19050f65c31ed6077f [1,0,0,0,0,0|2,0,1]=4 106 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.12 FCNCc1ccco1 15cf0ef1c142117a022de7e1d8123caa [1,0,0,0,0,0|2,0,1]=4 109 B9R1.12 FCOCc1ccc[nH]1 f8b57ee506260fbcaafed00f685542b2 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.12 FCOCc1ccco1 c04c3f12cfd8e7c8e05bcf1ef27a3e13 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.12 FCOCc1cccs1 d20aa0b5d32f374e73f69643d763b140 [1,0,0,0,0,0|1,1,1]=4 112 B9R1.12 FCOCc1ccno1 aefc8c45c011887243be775781e8f9e1 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.12 FCOCc1cnco1 a420d70118564f414ea32375d2dd9975 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.12 FCOCc1ncco1 fdb0645c6d8826990df411edb2fa5eb8 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.12 N#CNCc1ccco1 4a29a0cee61f6ca4469fdc18ecac181f [1,0,0,0,0,0|2,0,1]=4 116 B9R1.12 O=CCNc1cccs1 60a129f7ce0ed47960cff2a58ff45c1c [1,0,0,0,0,0|2,1,0]=4 117 B9R1.12 O=CCNc1ccno1 d89beb34e7299bb5546d81c088f021b3 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.12 O=CCNc1ncco1 a903c622426cd77e9fe9761a3cc7b9bd [1,0,0,0,0,0|3,0,0]=4 119 B9R1.12 O=CCOc1ccco1 1e74f64104a9bfe1c6a709b4cd3c3941 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.12 O=CCOc1cccs1 8bfa681cbb01e0a1759e3c960c15aeb1 [1,0,0,0,0,0|2,1,0]=4 121 B9R1.12 O=CNCc1ccco1 500b938a7f3d3a911f6dbf809f17e808 [1,0,0,0,0,0|1,0,0]=2 122 B9R1.12 O=CNCc1cccs1 fecfb8c88f46a0100ee636a1638f8376 [1,0,0,0,0,0|1,1,0]=3 123 B9R1.12 O=CNCc1ccno1 1d96e0438d070b6a30ebeea53435d039 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.12 O=CNCc1ccns1 9a0562bc3120ef88df4d92b0ab42240f [1,0,0,0,0,0|2,1,0]=4 125 B9R1.12 O=CNCc1ccoc1 2c2ecd250ae8d80c965c3936a532f64f [1,0,0,0,0,0|3,0,0]=4 126 B9R1.12 O=CNCc1ccon1 05a7c7357b01af9907ee2695fef4fb77 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.12 O=CNCc1ccsc1 71d20289537e24af987dd9a4d89d93c2 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.12 O=CNCc1ccsn1 444c9355991d0957139525c9d0279686 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.12 O=CNCc1cnco1 ee7ea837847f21c2df5abd28f3d73bda [1,0,0,0,0,0|2,0,0]=3 130 B9R1.12 O=CNCc1cncs1 20afedbba0f28c6c3d07abf84cac939f [1,0,0,0,0,0|2,1,0]=4 131 B9R1.12 O=CNCc1cocn1 42478e097d60710681f75d45a49c9050 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.12 O=CNCc1cscn1 41d80a5eda7e9f8599d0e415e67384b2 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.12 O=CNCc1ncco1 ae229f156f358694ec9fa8df5fdba020 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.12 O=CNCc1nccs1 d021f154403f9d3ac1cd2b03fa215329 [1,0,0,0,0,0|2,1,0]=4 135 B9R1.12 OCNCc1ccco1 65cac21f3029c35a0c20d324fb578c01 [1,0,0,0,0,0|1,0,2]=4 136 B11R1.25 C#CC(=O)NCc1ccco1 f79a75d4df58eff9958cbaeb2a982bad [0,1,0,0,0,0|1,0,1]=3 137 B11R1.25 C#CC(=O)NCc1cccs1 55da29a59c71299db91d52631de92dcd [0,1,0,0,0,0|1,1,1]=4 138 B11R1.25 C#CC(=O)NCc1ccno1 1eecf9f06adb03fada14ecbac97a5071 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.25 C#CC(=O)NCc1cnco1 e114d763ea4b0325152aa19a56481c42 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.25 C#CC(=O)NCc1ncco1 dc7d5f01ceb8c0d3fc9326a19507d27a [0,1,0,0,0,0|2,0,1]=4 141 B11R1.25 C#CC(C)NCc1ccco1 0c78173dc55d1cacab0d7b766e528b77 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.25 C#CC(C)OCc1ccc[nH]1 54cec85861084958346e541130001537 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.25 C#CC(C)OCc1ccco1 87c7710414e7042aedcd76d47a657537 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.25 C#CC(C)OCc1cccs1 3ff098cbee8afa61ae1ac02d47c0dc0f [0,1,0,0,0,0|1,1,1]=4 145 B11R1.25 C#CC(C)OCc1ccno1 38f4fa99879b83cf27c2d3e0cde92dbe [0,1,0,0,0,0|2,0,1]=4 146 B11R1.25 C#CC(C)OCc1ncco1 5bf7b8fff73b9dd5cca18e3cbff06635 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.25 C#C[C@@H](C)NCc1ccco1 8ee2af49e18acd6351140a60399b99d6 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.25 C#C[C@@H](C)OCc1ccco1 a07315369afedd816b332f25d0ec6e51 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.25 C#C[C@@H](C)OCc1cccs1 92185deabe02886c9aa4cd23dbdbb774 [0,1,0,0,0,0|1,1,1]=4 150 B11R1.25 C#C[C@@H](C)OCc1ccno1 4c77d52accf6a58a4d32d100a789950b [0,1,0,0,0,0|2,0,1]=4 151 B11R1.25 C#C[C@@H](C)OCc1ncco1 c407f63caa455d88a91f4e3603d32718 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.25 C#C[C@H](C)NCc1ccco1 cedf5f99927cd7769dcaac246b678b46 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.25 C#C[C@H](C)OCc1ccco1 7da392aa09b76585a733a644864632b0 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.25 C#C[C@H](C)OCc1cccs1 5f306ec969254d5b928e4b8ed912231b [0,1,0,0,0,0|1,1,1]=4 155 B11R1.25 C#C[C@H](C)OCc1ccno1 b0fab11e2fc811e056478bb8bf3ada00 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.25 C#C[C@H](C)OCc1ncco1 7491928c93746804bbf77ed5e068cf14 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.25 C=C(C=O)OCc1ccco1 747f2f76c41ad20f9b847b41d5cdb747 [0,1,0,0,0,0|0,0,1]=2 158 B11R1.25 C=C(C=O)OCc1cccs1 53273e7a9753d61aba82daf7053c426a [0,1,0,0,0,0|0,1,1]=3 159 B11R1.25 C=C(C=O)OCc1ccno1 ab03eb1b0a72a495fab96fa928e612b4 [0,1,0,0,0,0|1,0,1]=3 160 B11R1.25 C=C(C=O)OCc1ccon1 e21939b69c0aacee3a13a81adbf0f994 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.25 C=C(C=O)OCc1ccsc1 da489e97116ba13cd8bb7c395855cb93 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.25 C=C(C=O)OCc1cnc[nH]1 49263fcc527572c4dfc8bd9ef022fcc2 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.25 C=C(C=O)OCc1cnco1 7d8588cf440826de76862fe7783881d2 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.25 C=C(C=O)OCc1cocn1 d217778735a849ee4d30a08d14b74c08 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.25 C=C(C=O)OCc1cscn1 0a6d5b60a7acd783d05e3409b80b8b71 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.25 C=C(C=O)OCc1ncc[nH]1 9910872eeac0ac797c074ef71d788565 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.25 C=C(C=O)OCc1ncco1 a5846ec3fbe176e4e5101db68d0e0c89 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.25 C=C(C=O)OCc1nccs1 e899794805c469e068ef5e5c606be0e9 [0,1,0,0,0,0|1,1,1]=4 169 B11R1.25 C=C(C=O)OCc1ncno1 2a592812e56de66afa88c73ad9343294 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.25 C=C(C=O)OCc1nnco1 a5b98635ece3faaaaed97d0b1362e084 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.25 C=C(CC)COc1ccco1 8404942ce0c127109105c4a4a2ae6d42 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.25 C=C(COc1ccco1)OC 2bb75599a2450eeb215a4f785b4688eb [0,1,0,0,0,0|3,0,0]=4 173 B11R1.25 C=CC(=O)NCc1ccco1 f8a603b31f64c191fd76f8194a2fbbd6 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.25 C=CC(=O)NCc1cccs1 ccf456ef5e27084f994cff41b5267371 [0,1,0,0,0,0|1,1,1]=4 175 B11R1.25 C=CC(=O)NCc1ccno1 2bfcdf59744e8ced317f50e3b7c3c8e7 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.25 C=CC(=O)NCc1cnco1 81ebfe8ca83fa7a7ff89235a042d478a [0,1,0,0,0,0|2,0,1]=4 177 B11R1.25 C=CC(=O)NCc1ncco1 9d4cfd42cbc64e77c762973cf8e96e96 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.25 C=CC(C)NCc1ccco1 70cbfe9701e2df3ead85af2ea011223c [0,1,0,0,0,0|2,0,1]=4 179 B11R1.25 C=CC(C)OCc1ccc[nH]1 0bd0bdb8ab859ab1920e5c1f0cf27576 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.25 C=CC(C)OCc1ccco1 6f8c46a49552c5e29e7b8018db9931e7 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.25 C=CC(C)OCc1cccs1 42e1110c1385a33bf20e6388c19b7122 [0,1,0,0,0,0|1,1,1]=4 182 B11R1.25 C=CC(C)OCc1ccno1 8e06b67e5818b4e4f4fe8b7d7fae1865 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.25 C=CC(C)OCc1cnco1 b4411bc3635d66d5d41819072202b0e8 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.25 C=CC(C)OCc1ncco1 cee75fb0e57a4cfeedf559a34ffc727c [0,1,0,0,0,0|2,0,1]=4 185 B11R1.25 C=C[C@H](C)OCc1ccco1 d604a40f94494274db2b4cd86ad08ce7 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.25 C=C[C@H](C)OCc1cccs1 09ab87c351bd6e3abf30aed6b27e17bf [0,1,0,0,0,0|1,1,1]=4 187 B11R1.25 C=C[C@H](C)OCc1ccno1 c58ef64c1d6bf5018a1bcffa44e89288 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.25 C=C[C@H](C)OCc1cnco1 8d4a6f4b31fe08df3e14996ad2f63a81 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.25 C=C[C@H](C)OCc1ncco1 a11649afdccc104a751264ff60e963f5 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.25 CC(C#N)NCc1ccco1 faed7e342921344337d95550d424b482 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.25 CC(C#N)OCc1ccc[nH]1 73b168be10f78cd302d029d81e393a08 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.25 CC(C=O)NCc1ccc[nH]1 5db4e89fead4887e4d499882f658aa91 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.25 CC(C=O)NCc1ccco1 8ea485d4b6d1c57031030ef36dfb5983 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.25 CC(C=O)NCc1cccs1 6368b189b8ed1ed2464ffdb622d1444f [0,1,0,0,0,0|1,1,1]=4 195 B11R1.25 CC(C=O)NCc1ccno1 cd4ea3f459349b696ec95de0693b0108 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.25 CC(C=O)NCc1cnco1 f587ea8a3ce099218178fac55f42f46d [0,1,0,0,0,0|2,0,1]=4 197 B11R1.25 CC(C=O)NCc1ncco1 d2260ccfef700d4fabb919c883efc4fd [0,1,0,0,0,0|2,0,1]=4 198 B11R1.25 CC(C=O)OCc1cc[nH]c1 885adbb93170b59edb69b0eafcaa2fb0 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.25 CC(C=O)OCc1ccc[nH]1 8844092793f0a6bf7ad64ce6452d4b62 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.25 CC(C=O)OCc1ccco1 710611fcec921a10f65607f72aaacd05 [0,1,0,0,0,0|0,0,1]=2 201 B11R1.25 CC(C=O)OCc1cccs1 e2f1f17fd0c90954e0e29f101f0ec90e [0,1,0,0,0,0|0,1,1]=3 202 B11R1.25 CC(C=O)OCc1ccn[nH]1 976646a99aab92df4e4ac04f33b2e5a6 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.25 CC(C=O)OCc1ccno1 ceb711e58d1d12fffb331a0031fbd0b0 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.25 CC(C=O)OCc1ccns1 6643b94c5659e53aa6d265751d2b3b74 [0,1,0,0,0,0|1,1,1]=4 205 B11R1.25 CC(C=O)OCc1ccoc1 f291831e0783bbaa86abc44aa4863c66 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.25 CC(C=O)OCc1ccon1 0f1c0c2743580c9f668ff8d968995563 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.25 CC(C=O)OCc1ccsc1 d52c6e2bee1720df2a44c95dffb2fa50 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.25 CC(C=O)OCc1ccsn1 5fdffaac4a3889bd614ed4baa353f5a9 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.25 CC(C=O)OCc1cnc[nH]1 7af5288f8f7fa1ccf1904b5e668710c5 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.25 CC(C=O)OCc1cnco1 7bbdae3be049af24516accbe022c3eeb [0,1,0,0,0,0|1,0,1]=3 211 B11R1.25 CC(C=O)OCc1cocn1 f77b6b63ba882d6fbc4d04af877cf27e [0,1,0,0,0,0|2,0,1]=4 212 B11R1.25 CC(C=O)OCc1cscn1 7bc166326c49bfe02fbabd7301900892 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.25 CC(C=O)OCc1ncc[nH]1 0505f29c65322aa9380f1f448fbaa5ab [0,1,0,0,0,0|2,0,1]=4 214 B11R1.25 CC(C=O)OCc1ncco1 19a9fe06438eb321dc2405837b46d530 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.25 CC(C=O)OCc1nccs1 427201b69eaa031b98cbc411ea335333 [0,1,0,0,0,0|1,1,1]=4 216 B11R1.25 CC(C=O)OCc1ncno1 429ff8a2efaa7e24456e9ac74e0c32ab [0,1,0,0,0,0|2,0,1]=4 217 B11R1.25 CC(C=O)OCc1nnco1 5578d7ca8b474221666a410c0891bb51 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.25 CC(C=O)OCn1cccn1 ef08e73b27627783da49ca2b6c504c6f [0,1,0,0,0,0|2,0,1]=4 219 B11R1.25 CC(CF)OCc1ccco1 7a6c9d5edc9a65d3a477e45540cf06b6 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.25 CC(CF)OCc1cccs1 c61d4203ee490fd4ec0504a095cf3419 [0,1,0,0,0,0|1,1,1]=4 221 B11R1.25 CC(CF)OCc1ccno1 dab3ef7b074388b4c08493c10e72d155 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.25 CC(CF)OCc1ncco1 e642e6dae7fc83073a20c58077a050f3 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.25 CC(CO)NCc1ccco1 e11a1dcc997402b9ca10ebd6c1d728d8 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.25 CC(CS)OCc1cccs1 faf25675285219dbed4aac1af10ed644 [0,1,0,0,0,0|0,2,1]=4 225 B11R1.25 CC(CS)OCc1ccno1 16dcb10e4ea9c8d0dc78d4330fea44d6 [0,1,0,0,0,0|1,1,1]=4 226 B11R1.25 CC(CS)OCc1ncco1 78a76b74690e38c6b7dc30d4420f0067 [0,1,0,0,0,0|1,1,1]=4 227 B11R1.25 CCC(=O)CNc1cccs1 b4fbace754947742811c99821187431d [0,1,0,0,0,0|2,1,0]=4 228 B11R1.25 CCC(=O)CNc1ccno1 88b6fa67dbfd5e0c949f8969664ed5d2 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.25 CCC(=O)CNc1ncco1 76440fc14e6f7ad0dd7140ac3ef610d7 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.25 CCC(=O)COc1ccco1 84a63c846c70eaac9456a85969f85a7b [0,1,0,0,0,0|2,0,0]=3 231 B11R1.25 CCC(=O)COc1cccs1 62a1dd7ee9a489d60b74777043a9f2b4 [0,1,0,0,0,0|2,1,0]=4 232 B11R1.25 CCC(=O)NCc1ccco1 83a3424c0a2cb7e1166334a3685172c7 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.25 CCC(=O)NCc1cccs1 6c557a7153df782ceae55abb6bb418b3 [0,1,0,0,0,0|1,1,0]=3 234 B11R1.25 CCC(=O)NCc1ccno1 58322e28c7a6659b50819a81f4c4c933 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.25 CCC(=O)NCc1ccns1 c9819aa535efeca49d7cabc83ef3ae5b [0,1,0,0,0,0|2,1,0]=4 236 B11R1.25 CCC(=O)NCc1ccoc1 019db0a416f511a8b3ab418f0ee7c227 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.25 CCC(=O)NCc1ccon1 6366e92ed1a88ce0e764c86b71f0715e [0,1,0,0,0,0|3,0,0]=4 238 B11R1.25 CCC(=O)NCc1ccsc1 bd625af66957d2181c6a9ef822ab4133 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.25 CCC(=O)NCc1ccsn1 936b35ef40f1061cb499b9d85b850543 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.25 CCC(=O)NCc1cnco1 761288d4d2fa2ef7d951297da2e35f88 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.25 CCC(=O)NCc1cncs1 642bc0d4cafddf9cfcfcd52e8a1581c9 [0,1,0,0,0,0|2,1,0]=4 242 B11R1.25 CCC(=O)NCc1cocn1 3cd8317583d3b66432aef148bb9d4668 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.25 CCC(=O)NCc1cscn1 bf38b5d479d0b75d3c0776e9b580e1e0 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.25 CCC(=O)NCc1ncco1 e578991323529f456c684a1a876e4365 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.25 CCC(=O)NCc1nccs1 ef8f755cf84c310f41b86bcd4a497d12 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.25 CCC(=O)OCN1CC=CC1 98c3306b3fd6fd7351f7beed6d8e697c [0,1,0,0,0,0|2,0,1]=4 247 B11R1.25 CCC(C)NCc1ccco1 5f8142dfde0b789474d1611a11bd8a03 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.25 CCC(C)OCc1ccc[nH]1 9704405f8dd480f3861820e81be98d46 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.25 CCC(C)OCc1ccco1 1d3865e51cab5c0be5992c253ab61007 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.25 CCC(C)OCc1cccs1 ed5b0e54c3ce9b4fbd0e1c89d3109802 [0,1,0,0,0,0|1,1,1]=4 251 B11R1.25 CCC(C)OCc1ccno1 94fcccb7febe293d68cfe16855adf0fd [0,1,0,0,0,0|2,0,1]=4 252 B11R1.25 CCC(C)OCc1cnco1 059c8f478f925dc69280728cc4c60315 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.25 CCC(C)OCc1ncco1 904158ce6bcd0097d4f0ca8fee5a984d [0,1,0,0,0,0|2,0,1]=4 254 B11R1.25 CC[C@@H](C)OCc1ccco1 a76b1dfd367e870139dad05cc969c789 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.25 CC[C@@H](C)OCc1cccs1 3647e5c786191fbccae15396ed3cbc17 [0,1,0,0,0,0|1,1,1]=4 256 B11R1.25 CC[C@@H](C)OCc1ccno1 e9aa7ca8f00eb8584079f6748a3aa810 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.25 CC[C@@H](C)OCc1ncco1 a31617493743d569d00eac329d66c5a7 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.25 CC[C@H](C)OCc1ccco1 f9cdf73fec17b5adbe5d6d95690f8ec6 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.25 CC[C@H](C)OCc1cccs1 bd45cdf2dba9c6543a04d66b2d5ac835 [0,1,0,0,0,0|1,1,1]=4 260 B11R1.25 CC[C@H](C)OCc1ccno1 b81865c4874326d6b759a188a29873b1 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.25 CC[C@H](C)OCc1ncco1 48bd22762b919f6018f53ef0d0fd1aa4 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.25 CN(C=O)CCc1cccs1 2d56ad68d9909e2002ac43c88c0f1e93 [0,1,0,0,0,0|2,1,0]=4 263 B11R1.25 CNC(=O)CNc1ccco1 9fb8fe20e0faec38b11cfc6e904e8b91 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.25 CNC(=O)CNc1cccs1 6f087d70dc1595761c626ef8cc8ed2e1 [0,1,0,0,0,0|2,1,0]=4 265 B11R1.25 CNC(=O)CNc1ccno1 7de6ef8f9830186d017f4e880d3de9ba [0,1,0,0,0,0|3,0,0]=4 266 B11R1.25 CNC(=O)CNc1ncco1 ceeb9335263c80021a1974fd2776fefd [0,1,0,0,0,0|3,0,0]=4 267 B11R1.25 CNC(=O)COc1ccco1 8de653ac0ba8299d76630db6851014dc [0,1,0,0,0,0|2,0,0]=3 268 B11R1.25 CNC(=O)COc1cccs1 591444907ff3d0e617e25662bdc82222 [0,1,0,0,0,0|2,1,0]=4 269 B11R1.25 COC(=O)CNc1ccco1 3a8934ef990493a0e0bc38424c480317 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.25 COC(=O)CNc1cccs1 59d52dc657b50ac2b04e7700320d3026 [0,1,0,0,0,0|2,1,0]=4 271 B11R1.25 COC(=O)CNc1ccno1 2d1a89cf719dc404cd856267b5c680c3 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.25 COC(=O)CNc1ncco1 feededd87b0a92f1d612ca2091d69650 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.25 COC(=O)COc1ccco1 7e5bb533074d72185d76d28364661292 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.25 COC(=O)COc1cccs1 700d40abb2597ef2d3922f15e3e62a6a [0,1,0,0,0,0|2,1,0]=4 275 B11R1.25 COC(=O)OCN1CC=CC1 e83cf3527d171629074f9d7fdb2e12e4 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.25 C[C@@H](CO)NCc1ccco1 2b9b1d2922178f6f79ded161cd99a8d3 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.25 C[C@H](C=O)NCc1ccc[nH]1 fc3e9f5aaed48bdcb2036f81cd3b21bd [0,1,0,0,0,0|2,0,1]=4 278 B11R1.25 C[C@H](C=O)NCc1ccco1 b0a84eebe7be135256eaaef882aa33a2 [0,1,0,0,0,0|1,0,1]=3 279 B11R1.25 C[C@H](C=O)NCc1cccs1 f1b634559d3c233eca5b084f151981a9 [0,1,0,0,0,0|1,1,1]=4 280 B11R1.25 C[C@H](C=O)NCc1ccno1 d32f2d975e5d3e095580807f2a4924e5 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.25 C[C@H](C=O)NCc1cnco1 6c30c33f3a61ad345f7f6c87fd6d5390 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.25 C[C@H](C=O)NCc1ncco1 1727fb6721fad79125d86e3d9d321315 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.25 C[C@H](C=O)OCc1cc[nH]c1 f496e831eb723d17805bc3d12645e0c6 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.25 C[C@H](C=O)OCc1ccc[nH]1 5dd28ca69b96658363ecfb666d7724b3 [0,1,0,0,0,0|1,0,1]=3 285 B11R1.25 C[C@H](C=O)OCc1ccco1 838c9bf3f58f5510bcb9fffbefec1241 [0,1,0,0,0,0|0,0,1]=2 286 B11R1.25 C[C@H](C=O)OCc1cccs1 b73d770e559d720c16e6aeb8d7811078 [0,1,0,0,0,0|0,1,1]=3 287 B11R1.25 C[C@H](C=O)OCc1ccn[nH]1 dff2009491ace5f2c13a915bcc7f4c9a [0,1,0,0,0,0|2,0,1]=4 288 B11R1.25 C[C@H](C=O)OCc1ccno1 ff3a209c0f1016a7ca29046a2e18d2b4 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.25 C[C@H](C=O)OCc1ccns1 f58ca9ef1ecf4119870ef74bf37384f6 [0,1,0,0,0,0|1,1,1]=4 290 B11R1.25 C[C@H](C=O)OCc1ccoc1 47f2c92a37d45c40738f9ba4e08832dd [0,1,0,0,0,0|2,0,1]=4 291 B11R1.25 C[C@H](C=O)OCc1ccon1 335ee21b2c5569441d4c2b419f4bdcd7 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.25 C[C@H](C=O)OCc1ccsc1 80f21307e6a2304ab68bfc38d5ef25b2 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.25 C[C@H](C=O)OCc1ccsn1 cf53f8b2c9f30bba9827b90ff5a49b0a [0,1,0,0,0,0|2,0,1]=4 294 B11R1.25 C[C@H](C=O)OCc1cnc[nH]1 7cf61f231aac525a5212775addfafdef [0,1,0,0,0,0|2,0,1]=4 295 B11R1.25 C[C@H](C=O)OCc1cnco1 ef220e449255617ad810056f3d2e4792 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.25 C[C@H](C=O)OCc1cocn1 a63b8f6be342a60ef63e2fc770a19213 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.25 C[C@H](C=O)OCc1cscn1 69a5220909c7432e7ea3641232ddcf4e [0,1,0,0,0,0|2,0,1]=4 298 B11R1.25 C[C@H](C=O)OCc1ncc[nH]1 daf7d4082ae3f832258d9a9fa2fd04b1 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.25 C[C@H](C=O)OCc1ncco1 e3f8a0ad1564baea118d478200947d2b [0,1,0,0,0,0|1,0,1]=3 300 B11R1.25 C[C@H](C=O)OCc1nccs1 abf15c3141af75aeae87e00419d49849 [0,1,0,0,0,0|1,1,1]=4 301 B11R1.25 C[C@H](C=O)OCc1ncno1 71be308be38882923ba80bf53e9f06bb [0,1,0,0,0,0|2,0,1]=4 302 B11R1.25 C[C@H](C=O)OCc1nnco1 7c1f3f7158c012ba52285fffb013507a [0,1,0,0,0,0|2,0,1]=4 303 B11R1.25 C[C@H](C=O)OCn1cccn1 30b41093e5aad5f2a56a589b98ab3bba [0,1,0,0,0,0|2,0,1]=4 304 B11R1.25 C[C@H](CO)NCc1ccco1 d1c1d3584d51f54226efd246214dd928 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.25 C[C@H](CS)OCc1cccs1 4b5c8f53d7fe4176851f153a261ea2f8 [0,1,0,0,0,0|0,2,1]=4 306 B11R1.25 C[C@H](CS)OCc1ccno1 aad4a48440f9c95435c513e0d69c0abe [0,1,0,0,0,0|1,1,1]=4 307 B11R1.25 C[C@H](CS)OCc1ncco1 80dea45deab8c0f6fcda7b561fdfb6c8 [0,1,0,0,0,0|1,1,1]=4 308 B11R1.25 O=C(CF)NCc1ccco1 84588230b201d06c07b9a063871937ae [0,1,0,0,0,0|1,0,0]=2 309 B11R1.25 O=C(CF)NCc1cccs1 da3b7d350577e65c6692e055abd20b60 [0,1,0,0,0,0|1,1,0]=3 310 B11R1.25 O=C(CF)NCc1ccno1 255d6a6a39d938810e6068ff2672be5d [0,1,0,0,0,0|2,0,0]=3 311 B11R1.25 O=C(CF)NCc1ccns1 e7afc4c9dd0ec12d2e68a57fb2e6948c [0,1,0,0,0,0|2,1,0]=4 312 B11R1.25 O=C(CF)NCc1ccoc1 ee18e79d18c08f82e769110a246415f4 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.25 O=C(CF)NCc1ccon1 8e3f18af0e387fd5ef1578659466f4a4 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.25 O=C(CF)NCc1ccsc1 999794e8e8b9dc6569a4f36d92556c30 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.25 O=C(CF)NCc1ccsn1 456fd923ad4b24ee377b397ded128630 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.25 O=C(CF)NCc1cnco1 834f7a691045406b4654f82ac39bca96 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.25 O=C(CF)NCc1cncs1 80931ed98c091c0d44e0eda3301389b2 [0,1,0,0,0,0|2,1,0]=4 318 B11R1.25 O=C(CF)NCc1cocn1 eb5e480675259b80b46bee9e192abea5 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.25 O=C(CF)NCc1cscn1 83e1f932e5b4631f2f82e6ba67bb43df [0,1,0,0,0,0|3,0,0]=4 320 B11R1.25 O=C(CF)NCc1ncco1 268b9a58e234628a13e01d0df574f804 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.25 O=C(CF)NCc1nccs1 b432e279a864a8c6caf38f0121f197d3 [0,1,0,0,0,0|2,1,0]=4 322 B11R1.25 O=C(CNc1ccco1)NO 0a52081a67fc28cf2437bd0732b582b4 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.25 O=C(CO)CNc1cccs1 2fa55ac8bbb5c873ad00e48a9966c29f [0,1,0,0,0,0|2,1,0]=4 324 B11R1.25 O=C(CO)CNc1ccno1 194d740518c48fa3d3bb3b01365770e1 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.25 O=C(CO)CNc1ncco1 a77c7f1da0fa7ae8f9927e6aed614ed2 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.25 O=C(CO)NCc1ccco1 df70aa8594e340b9ca90aef387447fda [0,1,0,0,0,0|1,0,0]=2 327 B11R1.25 O=C(CO)NCc1cccs1 99ae0ae91c0a822e251b5bff14f6cde8 [0,1,0,0,0,0|1,1,0]=3 328 B11R1.25 O=C(CO)NCc1ccno1 809b66daea05c8d38ce5a5d49e845c8f [0,1,0,0,0,0|2,0,0]=3 329 B11R1.25 O=C(CO)NCc1ccns1 f3ce9a34048914e078a8c8b6b118b458 [0,1,0,0,0,0|2,1,0]=4 330 B11R1.25 O=C(CO)NCc1ccoc1 1d24d44a2f749ebcb98e10358aad542b [0,1,0,0,0,0|3,0,0]=4 331 B11R1.25 O=C(CO)NCc1ccon1 3abafc1beef1a9251f31610b9598d86e [0,1,0,0,0,0|3,0,0]=4 332 B11R1.25 O=C(CO)NCc1ccsc1 cb06569039dcd858c5bdfd9bf3d31c2f [0,1,0,0,0,0|3,0,0]=4 333 B11R1.25 O=C(CO)NCc1ccsn1 35f66b5178aa1b1e96ec67df0d768af2 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.25 O=C(CO)NCc1cnco1 4a13a21d3b08dc48052a719f6e101dbd [0,1,0,0,0,0|2,0,0]=3 335 B11R1.25 O=C(CO)NCc1cncs1 ed003aa244bdb50fb4baaedf7d0fc0f9 [0,1,0,0,0,0|2,1,0]=4 336 B11R1.25 O=C(CO)NCc1cocn1 833600ada4942dcdce11c47084de5e9d [0,1,0,0,0,0|3,0,0]=4 337 B11R1.25 O=C(CO)NCc1cscn1 78c572a6e258cb111e5ab976305bedbb [0,1,0,0,0,0|3,0,0]=4 338 B11R1.25 O=C(CO)NCc1ncco1 e3899f38fa2e20a5067a6a3ba3371079 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.25 O=C(CO)NCc1nccs1 65d54e94672af8f9f1f2be1a10536bcf [0,1,0,0,0,0|2,1,0]=4 340 B11R1.25 O=C(CS)NCc1ccco1 cd6653eaf0be7fe394f59c7de3df0476 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.25 O=C(CS)NCc1cccs1 ae334004146e0d855e3ddc67faa76e34 [0,1,0,0,0,0|1,1,0]=3 342 B11R1.25 O=C(CS)NCc1ccno1 7390f0b0049973908a31373e437056e9 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.25 O=C(CS)NCc1ccns1 a8d320d776e8a1c68a449cca94e432f2 [0,1,0,0,0,0|2,1,0]=4 344 B11R1.25 O=C(CS)NCc1ccoc1 cc0c00e6ddc84708c6a4771c644d15c1 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.25 O=C(CS)NCc1ccon1 0e892af5f298334721b172899462d0c0 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.25 O=C(CS)NCc1ccsc1 552fd1f32031663f3cfb3aa2c1894246 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.25 O=C(CS)NCc1ccsn1 734448866b2445dd8aa95d14a3a892cd [0,1,0,0,0,0|3,0,0]=4 348 B11R1.25 O=C(CS)NCc1cnco1 5b69c69190507355ecac8f4ec6d4f2df [0,1,0,0,0,0|2,0,0]=3 349 B11R1.25 O=C(CS)NCc1cncs1 f1e539095d224c77037ada0076ba92a4 [0,1,0,0,0,0|2,1,0]=4 350 B11R1.25 O=C(CS)NCc1cocn1 f8900bc7cc73ce9bed4993932f4d1be2 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.25 O=C(CS)NCc1cscn1 8bee3b4d4996b12ec4da076c3c72f320 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.25 O=C(CS)NCc1ncco1 8d62f9204c654f67f617562ca66be425 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.25 O=C(CS)NCc1nccs1 e18ca2c3e41a5414ef567bfc9ee78b0a [0,1,0,0,0,0|2,1,0]=4 354 B11R1.25 O=CC(=O)NCc1ccco1 d2dc8ba1c1dc2bd9370b2891085f68aa [0,1,0,0,0,0|1,0,1]=3 355 B11R1.25 O=CC(=O)NCc1cccs1 b8ae8f336278764c8ae470b9e27a5baf [0,1,0,0,0,0|1,1,1]=4 356 B11R1.25 O=CC(=O)NCc1ccno1 bf7e2bd1dd4d6f79d1431d80dfba865a [0,1,0,0,0,0|2,0,1]=4 357 B11R1.25 O=CC(=O)NCc1cnco1 fbef874aa8c38bb8e00bce68ab9517f2 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.25 O=CC(=O)NCc1ncco1 d6681d65fff6e118bf41e332fcb2c91d [0,1,0,0,0,0|2,0,1]=4 359 B11R1.35 CC(=O)C(=O)Nc1cccs1 de6d70e3306c47e09cb36ff931517690 [0,1,0,0,0,0|2,1,0]=4 360 B11R1.35 CC(=O)C(=O)Nc1ccno1 eef72884d901d25f0c5eceafa48827eb [0,1,0,0,0,0|3,0,0]=4 361 B11R1.35 CC(=O)C(=O)Nc1ncco1 1951beb575cdea14f51dfb91f1315f40 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.35 CC(=O)C(C)Nc1ccno1 95b34b55777b87672e923fe19e39c761 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.35 CC(=O)C(C)Nc1ncco1 775586ee3024e3c0d67456f36e102a07 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.35 CC(=O)C(C)Oc1ccco1 a56d48d537b56e6d77399f0c0c673bb2 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.35 CC(=O)N(C)Cc1ccco1 595130f102a13741ef8c5e6d70797c2c [0,1,0,0,0,0|1,0,0]=2 366 B11R1.35 CC(=O)N(C)Cc1cccs1 0772ccd40fb0e419289038500ce1ac59 [0,1,0,0,0,0|1,1,0]=3 367 B11R1.35 CC(=O)N(C)Cc1ccno1 79d5db58fe26c759732992525b8134eb [0,1,0,0,0,0|2,0,0]=3 368 B11R1.35 CC(=O)N(C)Cc1ccoc1 5cbb32d1835ea7ec1049d53c7ac44884 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.35 CC(=O)N(C)Cc1ccsc1 823f62cacd71cae7b515ff7fa707b235 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.35 CC(=O)N(C)Cc1cncs1 6583c908276bf2b2de03b941c6c544c5 [0,1,0,0,0,0|2,1,0]=4 371 B11R1.35 CC(=O)N(C)Cc1ncco1 03c185527acb051596e25be641bafa58 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.35 CC(=O)N(C)Cc1nccs1 94ddf6672d43a9a3d00ecd27fbe0a253 [0,1,0,0,0,0|2,1,0]=4 373 B11R1.35 CC(C)N(C)Cc1ccco1 cee0dc5c5544607301dd1c2d555bd4e1 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.35 CC(Nc1ccco1)C(=O)N 21482bd34d4a2dafa2d3162f804897b0 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.35 CC(Oc1ccco1)C(=O)N 0ef6af18494e5b6ec1eeb7dff9bb07b6 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.35 C[C@@H](Nc1ccco1)C(=O)N d8f34946d3e641ebfbd2e95882ef9923 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.35 C[C@H](Nc1ccco1)C(=O)N 30436b14ff4e5a5172c84caee18f519a [0,1,0,0,0,0|3,0,0]=4 378 B11R1.35 NC(=O)C(F)Oc1ccco1 d0138be09905b3b17d03bc038e7cdb64 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.75 C=C(C)CNc1cc(co1)C 9a824af34ef512c1875933c4ffb872d0 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.75 C=C(C)CNc1ccc(o1)C 38f43c55846fca3b94b16190a890c79f [0,1,0,0,0,0|3,0,0]=4 381 B11R1.75 CC(=O)CNc1ccc(o1)C a2d4efbcab84d7259315a868deaaa873 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.75 CC(=O)CNc1ccc(s1)C dc48b32a35ca60a3449a92a01b93fb89 [0,1,0,0,0,0|2,1,0]=4 383 B11R1.75 CC(=O)CNc1ccc(s1)F 8479726e6cdfee7e3880572c1d14a94a [0,1,0,0,0,0|2,1,0]=4 384 B11R1.75 CC(=O)NCc1cc(co1)C c264239ea631634196e8ffbc272a6263 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.75 CC(=O)NCc1cc(cs1)Br f821fa34e12e09cd1e600dc31015c2eb [0,1,0,0,0,0|1,1,0]=3 386 B11R1.75 CC(=O)NCc1cc(cs1)C 0d4b575a1b11cb6ea4b4be7c6d495674 [0,1,0,0,0,0|1,1,0]=3 387 B11R1.75 CC(=O)NCc1cc(cs1)Cl 3a2517ce3e79620b78862bd11b65a507 [0,1,0,0,0,0|1,1,0]=3 388 B11R1.75 CC(=O)NCc1cc(no1)C 66072dfdb9c147a93624cd403a09db31 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.75 CC(=O)NCc1cc(ns1)Br 29adea8a1289d3bad7f75e4dab5f1cd6 [0,1,0,0,0,0|2,1,0]=4 390 B11R1.75 CC(=O)NCc1cc(ns1)C f0fba7dd661896c9a6a1b45c70d7909c [0,1,0,0,0,0|2,1,0]=4 391 B11R1.75 CC(=O)NCc1cc(on1)C 47e01145468070a6948ba2a9f3c33435 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.75 CC(=O)NCc1cc(sn1)Br ae8cb576e4e1ad66bc2d02d70a7dbdb3 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.75 CC(=O)NCc1ccc(o1)Br 6e710dbc8a7ab5ca5f302eac2d542d29 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.75 CC(=O)NCc1ccc(o1)C b13cd0bd40ca6cf6e3c39d68d12bdda4 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.75 CC(=O)NCc1ccc(s1)Br ef690d997add5e800fffb852f10def11 [0,1,0,0,0,0|1,1,0]=3 396 B11R1.75 CC(=O)NCc1ccc(s1)C fbe57bc2ff3d0b0d111a80584c69c601 [0,1,0,0,0,0|1,1,0]=3 397 B11R1.75 CC(=O)NCc1ccc(s1)Cl 8946dbc6989b3b104bd57098260101ef [0,1,0,0,0,0|1,1,0]=3 398 B11R1.75 CC(=O)NCc1ccc(s1)F c9981b70a243f88d2eb4fb9ce9558f87 [0,1,0,0,0,0|1,1,0]=3 399 B11R1.75 CC(=O)NCc1ccn(n1)C 9c7726a559ff94859d378348f5cedd5c [0,1,0,0,0,0|3,0,0]=4 400 B11R1.75 CC(=O)NCc1cn(cn1)C fc0c1bb0ffb8b35be6e2cf440ac8d967 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.75 CC(=O)NCc1cnc(o1)C c884235d974f23eff843a6ec5da668ea [0,1,0,0,0,0|2,0,0]=3 402 B11R1.75 CC(=O)NCc1cnc(s1)Br f1cf6ace0e9592d1484a8dbaa052e1ae [0,1,0,0,0,0|2,1,0]=4 403 B11R1.75 CC(=O)NCc1cnc(s1)C b73e1aa9a71048ee3690df81db487142 [0,1,0,0,0,0|2,1,0]=4 404 B11R1.75 CC(=O)NCc1cnc(s1)Cl 7d2d9761c556b27c25cd7bcb9fe984c2 [0,1,0,0,0,0|2,1,0]=4 405 B11R1.75 CC(=O)NCc1coc(n1)C f68086b8999937e17da266e4f80df767 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.75 CC(=O)NCc1csc(c1)Br 25d212c98737f32c95cd9f989e3c66f1 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.75 CC(=O)NCc1csc(c1)Cl 4e85ec7c6bd728ce7a81f9aeeb6b5ce6 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.75 CC(=O)NCc1csc(n1)Br 2fe72f13d7a047cef5ff1aed1ba7470a [0,1,0,0,0,0|3,0,0]=4 409 B11R1.75 CC(=O)NCc1csc(n1)C c8f56a84ab8a5c807766e5951d1f100b [0,1,0,0,0,0|3,0,0]=4 410 B11R1.75 CC(=O)NCc1csc(n1)Cl 1dede6422f7721b80462854645c31b2f [0,1,0,0,0,0|3,0,0]=4 411 B11R1.75 CC(=O)NCc1nc(co1)C 25f1ce64520e2a8b20381c6ab0be5921 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.75 CC(=O)NCc1nc(cs1)Br 80a1a3d1da1476ffa02a41a2404f4ce3 [0,1,0,0,0,0|2,1,0]=4 413 B11R1.75 CC(=O)NCc1nc(cs1)C 87b0edd5d9a1977001e05c17b02118c6 [0,1,0,0,0,0|2,1,0]=4 414 B11R1.75 CC(=O)NCc1nc(cs1)Cl e548b052ec0f7549568e87d25256d1ff [0,1,0,0,0,0|2,1,0]=4 415 B11R1.75 CC(=O)NCc1ncc(o1)Br 3d04f7f69b69ebfc9b082258a32470e6 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.75 CC(=O)NCc1ncc(o1)C b96c864fd9d090130791d073abfa9d4e [0,1,0,0,0,0|2,0,0]=3 417 B11R1.75 CC(=O)NCc1ncc(s1)C c20c2d441d54f13e01b71caf6b20d1c5 [0,1,0,0,0,0|2,1,0]=4 418 B11R1.75 CC(=O)NCc1ncc(s1)Cl 5a89206349512354a19b74e866e48ee7 [0,1,0,0,0,0|2,1,0]=4 419 B11R1.75 CC(=O)NCc1nnc(o1)C 33629d7a65704a94e123c43328709287 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.75 CC(C)NCc1ccc(o1)Br a7d483e22c98aa519c0d57b297a3e305 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.75 CC(C)OCC1C=CC(=O)O1 49328af670be7ecc74cef0213da65f1d [0,1,0,0,0,0|1,0,2]=4 422 B11R1.75 CC(C)OC[C@@H]1C=CC(=O)O1 4a37d3fa13eacceb6743552d266495de [0,1,0,0,0,0|1,0,2]=4 423 B11R1.75 CC(C)OCc1cc(co1)Br 6dcc718299df47ca5670faa3ee10cc2a [0,1,0,0,0,0|1,0,1]=3 424 B11R1.75 CC(C)OCc1cc(cs1)Br a7244d5f42560aafaceac86456e7b40a [0,1,0,0,0,0|1,1,1]=4 425 B11R1.75 CC(C)OCc1cc(no1)Br 68db0db432a3ac3599e9930e9aead9af [0,1,0,0,0,0|2,0,1]=4 426 B11R1.75 CC(C)OCc1ccc(o1)Br 4572bd0ae662cbcc2083e6c5e472cae9 [0,1,0,0,0,0|1,0,1]=3 427 B11R1.75 CC(C)OCc1ccc(s1)Br 45851314a5dd90d4b3e29700bd9cbe95 [0,1,0,0,0,0|1,1,1]=4 428 B11R1.75 CC(C)OCc1ccc(s1)Cl 8aa3cc4198706bda5efaacfd1e1232c9 [0,1,0,0,0,0|1,1,1]=4 429 B11R1.75 CC(C)OCc1coc(=O)o1 77c49c7ffea925215d34fca10b3265d3 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.75 CC(C)OCc1ncc(o1)Br 267a9896be4d8e564cbcf9591ecd2a11 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.75 Cc1cc(on1)COC(C)C f71465cf8ceef48c427ff2b08e77c217 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.75 Cc1ccc(o1)CNC(C)C 17906d5fa8553b52e59fdc5d95921f17 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.75 Cc1ccc(o1)COC(C)C 0e7aacbb60b32ca81c5945b28486e61e [0,1,0,0,0,0|1,0,1]=3 434 B11R1.75 Cc1ccc(o1)NCC(=O)N cac804fda3ef34d781c21678c0228f2a [0,1,0,0,0,0|3,0,0]=4 435 B11R1.75 Cc1ccc(s1)COC(C)C 557aa717b55d7c1351ba28a7726b5d65 [0,1,0,0,0,0|1,1,1]=4 436 B11R1.75 Cc1coc(c1)CNC(C)C 2dcd43bd39a6e62a53c73bb8727417e2 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.75 Cc1coc(c1)NCC(=O)N 639b98bc124c078d87642ebf525476d2 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.75 Cc1ncc(o1)COC(C)C aa83d3c828010ea8b5d95ff8d61a626b [0,1,0,0,0,0|2,0,1]=4 439 B11R1.77 CC(=O)NC(C)c1ccco1 c1f414cbe29927a43c5ea82bc1066b08 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.77 CC(=O)NC(C)c1cccs1 e7ae72928c15ab3e748d7e1c8cf72906 [0,1,0,0,0,0|1,1,0]=3 441 B11R1.77 CC(=O)NC(C)c1ccoc1 f05fb1ac4899069c33da6b59ba925378 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.77 CC(=O)NC(C)c1ccon1 0ca964294da6ae6106779874e1c2e2f0 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.77 CC(=O)NC(C)c1ccsc1 b5322239eb2b3ea576be5e9c37a82962 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.77 CC(=O)NC(C)c1cncs1 cb797d456b50b3aec89e981e775568b5 [0,1,0,0,0,0|2,1,0]=4 445 B11R1.77 CC(=O)NC(C)c1cscn1 bf490a05719af0dacf6079b03b5c06ba [0,1,0,0,0,0|3,0,0]=4 446 B11R1.77 CC(=O)NC(C)c1ncco1 fd525221588f8253603eb6525149d065 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.77 CC(=O)NC(C)c1nccs1 0a448acc08f5cf357cfb71fa073e12ba [0,1,0,0,0,0|2,1,0]=4 448 B11R1.77 CC(=O)NC(C)c1nnco1 90d8d8536a2caedff288ad480389e898 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 b818cd586259681e42d14261ef748959 [0,1,0,0,0,0|1,1,0]=3 450 B11R1.77 CC(=O)N[C@@H](C)c1ccoc1 e1ec52bf4cf96dc7f38f0bf9b1ce980a [0,1,0,0,0,0|3,0,0]=4 451 B11R1.77 CC(=O)N[C@@H](C)c1ccsc1 a37c11f7f4aa2f992f5f64350aa3a346 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.77 CC(=O)N[C@@H](C)c1cncs1 31cdc634b839f967cbdc0644b2b6f9de [0,1,0,0,0,0|2,1,0]=4 453 B11R1.77 CC(=O)N[C@@H](C)c1nccs1 a2ddac4b6d3dfec46922786d18b57837 [0,1,0,0,0,0|2,1,0]=4 454 B11R1.77 CC(=O)N[C@H](C)c1ccco1 b21b5fa102dd5d98ec9d9b39f45da936 [0,1,0,0,0,0|1,0,0]=2 455 B11R1.77 CC(=O)N[C@H](C)c1cccs1 f815dc1cf41a56fe27ec577f5b868185 [0,1,0,0,0,0|1,1,0]=3 456 B11R1.77 CC(=O)OC(C)N1CC=CC1 dd58397a48fcd1f3274794080d76cb09 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.77 CC(C)OC(C)c1cccs1 4a80191c016c84671367c15c4ce54900 [0,1,0,0,0,0|1,1,1]=4 458 B11R1.77 CC(C)O[C@@H](C)c1cccs1 557a9cdd57ebf18ee8f272b45845d97f [0,1,0,0,0,0|1,1,1]=4 459 B11R1.77 CC(C)O[C@H](C)c1cccs1 85c06e1ba647c2cb8d6053f8c6d14fe3 [0,1,0,0,0,0|1,1,1]=4 460 B11R1.90 CC(=O)NCc1cccn1C c151d1f61aa9cd59abb8cce6e932be56 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.90 CC(=O)NCc1ccnn1C 15c4672b2cf5e9404ccbcca3a7d4c18e [0,1,0,0,0,0|3,0,0]=4 462 B11R1.90 CC(=O)NCc1ccoc1C d4bf342ef095f84c20b4b56088d719c3 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.90 CC(=O)NCc1ccsc1Br be7751e3a80880d5b038d55245e9d1d3 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.90 CC(=O)NCc1cncn1C 29854fad683d3dbe89e1694fa8b6fea2 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.90 CC(=O)NCc1nccn1C 77e32c6fa27f08a1c2c3d9ffa5da6e3a [0,1,0,0,0,0|3,0,0]=4 466 B11R1.90 CC(=O)NCc1ncoc1C 45d2d5362019d7f10f1974d937ea79ad [0,1,0,0,0,0|3,0,0]=4 467 B11R1.90 CC(=O)NCc1nocc1C 6c27413e56b465c6f7e15dd994363f1f [0,1,0,0,0,0|3,0,0]=4 468 B11R1.90 CC(=O)NCc1occc1C 6dcfcfae995904333b31ef08b1e3652a [0,1,0,0,0,0|1,0,0]=2 469 B11R1.90 CC(=O)NCc1sccc1Br aa8241562c41a8b68afd8977c5e634b3 [0,1,0,0,0,0|1,1,0]=3 470 B11R1.90 CC(=O)NCc1sccc1Cl 469e4ea001d68b0cdcf3b2b0e26a3aef [0,1,0,0,0,0|1,1,0]=3 471 B11R1.90 CC(=O)NCc1sccc1F b59507f5337bd9b9f20d21f304068893 [0,1,0,0,0,0|1,1,0]=3 472 B11R1.90 CC(=O)NCc1scnc1Br 93689180a97bbc7a2baafc901e4f42cc [0,1,0,0,0,0|2,1,0]=4 473 B11R1.90 CC(=O)NCc1scnc1C 589e78d4eb9f0a6d802bb730d38ce454 [0,1,0,0,0,0|2,1,0]=4 474 B11R1.90 CC(C)OCc1cccn1C dc258659f2c47022cf6f5688045bfd42 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.90 CC(C)OCc1occc1Br 5e499d8c54a43fe9cdc83e61ba5cb317 [0,1,0,0,0,0|1,0,1]=3 476 B11R1.90 CC(C)OCc1sccc1Cl f3fa22cd47ef1a329457681991455a71 [0,1,0,0,0,0|1,1,1]=4 477 B11R1.90 Cc1ccoc1CNC(C)C 4cb35c14cd660170583bb58b2ce11c75 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.90 Cc1ccoc1COC(C)C 53ce2525eea58424e691bb0419bcb258 [0,1,0,0,0,0|1,0,1]=3 479 B11R1.90 Cc1cnoc1COC(C)C 02290925aafd04a4442ef25d7f528f7b [0,1,0,0,0,0|2,0,1]=4 480 B11R1.90 Cc1ncoc1COC(C)C ddd054a1676efc2bf2c8f9d19e17079a [0,1,0,0,0,0|2,0,1]=4 481 B11R1.510 CC(C)(C)NCc1ccco1 0d7c926a0e622b7d3b3c77fa6b1a0c7f [0,1,0,0,0,0|2,0,1]=4 482 B11R1.510 CS(=O)(=O)COc1ccco1 fab2391845fe5dee14e862d0bd72b65e [0,1,0,0,0,0|3,0,0]=4 483 B9R0.2 C/C=C/C=C/COC(C)C bec2220b1d6103b70011a64fb32efb70 [0,0,1,0,0,0|2,0,1]=4 484 B9R0.2 C/C=C/COCOC(=O)C 02058982174a0e7e25d2adaeed129ee2 [0,0,1,0,0,0|2,0,1]=4 485 B9R0.2 C/C=C\COCOC(=O)C 05ec34149ebfd78772546946adc1f486 [0,0,1,0,0,0|2,0,1]=4 486 B9R0.2 C=C/C=C/CCNC(=O)C d1d4b0874c1cb5c136899f1ca87a2779 [0,0,1,0,0,0|2,0,1]=4 487 B9R0.2 C=CCCNCOC(=O)C 3487c1d086c5212400756cfa116788f8 [0,0,1,0,0,0|2,0,1]=4 488 B9R0.2 C=CCCOCOC(=O)C 37a68abde021a87728611198a0cd4a69 [0,0,1,0,0,0|2,0,1]=4 489 B9R0.2 C=CCOCCCC(=O)C 7c50ee2dd017285f672ea091a47723d2 [0,0,1,0,0,0|1,0,2]=4 490 B9R0.2 C=CCOCCNC(=O)C a53ca486da172a5bf65bca1009789a59 [0,0,1,0,0,0|1,0,2]=4 491 B9R0.2 C=CCOCCOC(=O)C b8c209519513104470d81d0ada77afd3 [0,0,1,0,0,0|0,0,2]=3 492 B9R0.2 CC(=O)OCCOCC=O 50de9809b657b57c3e7b1c5e62714176 [0,0,1,0,0,0|1,0,2]=4 493 B9R0.2 CC(=O)OCOC/C=C/Cl 7e125599d72e4a7d0931c89e3c8d6f18 [0,0,1,0,0,0|2,0,1]=4 494 B9R0.2 CC(=O)OCOCC=CCl d499fa498f2b8e34b58d013522281eb7 [0,0,1,0,0,0|2,0,1]=4 495 B9R0.2 CC=CC=CCOC(C)C 24b9fa85f55d4731b3b6ca3fc4d4a326 [0,0,1,0,0,0|2,0,1]=4 496 B9R0.2 CC=CCNCOC(=O)C 457873e1f40d278060fa24145ebf3a73 [0,0,1,0,0,0|2,0,1]=4 497 B9R0.2 CC=CCOCOC(=O)C e357196068b9a30c3ec1682be6576fcc [0,0,1,0,0,0|2,0,1]=4 498 B9R0.48 C=CCC(O)CNC(=O)C 044a2180840b1053ceaf99d23733edb1 [0,0,1,0,0,0|1,0,2]=4 499 B9R0.48 C=CCN(C)COC(=O)C 89717595b3b98e438fc0c09b186ac590 [0,0,1,0,0,0|2,0,1]=4 500 B9R0.48 C=COC(=O)COC(C)C a2c2392c5ec1e704642cd23302e301c8 [0,0,1,0,0,0|2,0,1]=4 501 B11R2.385 c1c[nH]c(c1)COC2CC2 d023f1c2c116ea6d7b44d3da54d9b0f1 [0,0,0,1,0,0|2,0,1]=4 502 B11R2.385 c1cc(on1)COC2CC2 8fec2cf7d8dd82f156f77177004af495 [0,0,0,1,0,0|2,0,1]=4 503 B11R2.385 c1coc(c1)CNC2CC2 a935d11545af700e1f9217e8d211e17d [0,0,0,1,0,0|2,0,1]=4 504 B11R2.385 c1coc(c1)COC2CC2 03ead378b7018e25b154b738e6adcece [0,0,0,1,0,0|1,0,1]=3 505 B11R2.385 c1coc(n1)COC2CC2 1e557a89a97a47604715be08f048b659 [0,0,0,1,0,0|2,0,1]=4 506 B11R2.385 c1csc(c1)COC2CC2 9c47682f7822b9ce46ff4579e17f72af [0,0,0,1,0,0|1,1,1]=4 507 B11R2.385 c1ncc(o1)COC2CC2 a7c8ffaf82745c0445426b7baf823bf9 [0,0,0,1,0,0|2,0,1]=4 508 B9R1.13 CC(=O)Nc1cccs1 f70dc40a2b7a68d7210198fbab697918 [0,0,0,0,1,0|1,1,0]=3 509 B9R1.13 CC(=O)Nc1ccno1 9ee4360e11764428c81b3574e3a5fbc0 [0,0,0,0,1,0|2,0,0]=3 510 B9R1.13 CC(=O)Nc1ccns1 bf48f8f0459ec9fa0c60411c28a05fbc [0,0,0,0,1,0|2,1,0]=4 511 B9R1.13 CC(=O)Nc1ccsc1 b43c291cb5d72b5ddddbae12e8c0d0d9 [0,0,0,0,1,0|3,0,0]=4 512 B9R1.13 CC(=O)Nc1cncs1 8e4d874841813b151af824130870907f [0,0,0,0,1,0|2,1,0]=4 513 B9R1.13 CC(=O)Nc1cocn1 4089e82890500e24c2afb0f19306f425 [0,0,0,0,1,0|3,0,0]=4 514 B9R1.13 CC(=O)Nc1cscn1 40e369b2af88cefbcc061c4b162a2ec0 [0,0,0,0,1,0|3,0,0]=4 515 B9R1.13 CC(=O)Nc1ncco1 b16f0a75e381dc1cebd6e7c0a9c2918e [0,0,0,0,1,0|2,0,0]=3 516 B9R1.13 CC(=O)Nc1nccs1 77a8d229d5e2ebce94e2316ec872dfb6 [0,0,0,0,1,0|2,1,0]=4 517 B9R1.13 CC(C)Oc1ccco1 6706bc489021fd5e63c9cd08f454e9c6 [0,0,0,0,1,0|1,0,1]=3 518 B9R1.13 CC(C)Oc1cccs1 21794e900987f3d432b829048842efca [0,0,0,0,1,0|1,1,1]=4 519 B11R1.91 CC(=O)CNc1ccccc1 71a2fb3da6b0e889c13cfd81e73bd182 [0,0,0,0,0,1|3,0,0]=4 520 B11R1.91 CC(=O)CNc1ccccn1 9ef5867d6e28a360f3e560522ae4c545 [0,0,0,0,0,1|3,0,0]=4 521 B11R1.91 CC(=O)CNc1cccnc1 35a6037a85b015cc869f557087769b5d [0,0,0,0,0,1|3,0,0]=4 522 B11R1.91 CC(=O)CNc1cccnn1 bd224fe4d75fd6299636314b2659cf40 [0,0,0,0,0,1|3,0,0]=4 523 B11R1.91 CC(=O)CNc1ccncc1 e7e1df2bfec9194a79bb5918ba94764c [0,0,0,0,0,1|3,0,0]=4 524 B11R1.91 CC(=O)CNc1ccncn1 4f817587489a7d067dc5afdf25fc5852 [0,0,0,0,0,1|3,0,0]=4 525 B11R1.91 CC(=O)CNc1cnccn1 f505fd1e568103e89908ef11d0b9c40c [0,0,0,0,0,1|3,0,0]=4 526 B11R1.91 CC(=O)CNc1ncccn1 f18694e3a51e6ffd47e70f441daa4c05 [0,0,0,0,0,1|3,0,0]=4 527 B11R1.91 CC(=O)NCc1ccccc1 29a87354e4243d3817f046f8152f971d [0,0,0,0,0,1|2,0,0]=3 528 B11R1.91 CC(=O)NCc1ccccn1 4a5e0ad0f6fb64ba7eb4726872bef1d0 [0,0,0,0,0,1|2,0,0]=3 529 B11R1.91 CC(=O)NCc1cccnc1 7b71a51c058bd0c2c3114d8b61c7e1f0 [0,0,0,0,0,1|2,0,0]=3 530 B11R1.91 CC(=O)NCc1cccnn1 8df4f95b0595f5061ab86d0c6899ec2c [0,0,0,0,0,1|2,0,0]=3 531 B11R1.91 CC(=O)NCc1ccncc1 9156811b92bf0707f7382e576ceea554 [0,0,0,0,0,1|2,0,0]=3 532 B11R1.91 CC(=O)NCc1ccncn1 bb4e634dd2d2ac1df6c40895aef3c1f0 [0,0,0,0,0,1|2,0,0]=3 533 B11R1.91 CC(=O)NCc1ccnnc1 b7fb9ef1b30e19b3391ac6373f09e991 [0,0,0,0,0,1|3,0,0]=4 534 B11R1.91 CC(=O)NCc1cnccn1 3bc7c046654e0b52f0e8fd5e1c64219d [0,0,0,0,0,1|2,0,0]=3 535 B11R1.91 CC(=O)NCc1cncnc1 1788fa75b9a7d3ec40c95f826ad49ab5 [0,0,0,0,0,1|3,0,0]=4 536 B11R1.91 CC(=O)NCc1ncccn1 7e583fa87c299d4a4eb199dfcfdc7c5d [0,0,0,0,0,1|2,0,0]=3 537 B11R1.91 CC(=O)OCN1CC=CCC1 c70acecad2eaf5e673a8f7fb170b625c [0,0,0,0,0,1|2,0,1]=4 538 B11R1.91 CC(C)OCc1ccccc1 7aa508df1117d05227b589ad5630d192 [0,0,0,0,0,1|2,0,1]=4 539 B11R1.91 CC(C)OCc1ccccn1 0763eb944dcd10bf40a6049a3281f0fa [0,0,0,0,0,1|2,0,1]=4 540 B11R1.91 CC(C)OCc1cccnc1 15bee2bbdfea4851383d51503cc56958 [0,0,0,0,0,1|2,0,1]=4 541 B11R1.91 CC(C)OCc1cccnn1 9e75df7bf42bec5daa46f121cb3b2fee [0,0,0,0,0,1|2,0,1]=4 542 B11R1.91 CC(C)OCc1ccncc1 6b799cfffcfa8445d7523666b8d1a250 [0,0,0,0,0,1|2,0,1]=4 543 B11R1.91 CC(C)OCc1ccncn1 8ca6a7835eff3f310e3286485f2bc8a3 [0,0,0,0,0,1|2,0,1]=4 544 B11R1.91 CC(C)OCc1cnccn1 e68303144f36400499d51e9b07ed6d5f [0,0,0,0,0,1|2,0,1]=4 545 B11R1.91 CC(C)OCc1ncccn1 38d74e076887ffaed244a2918ea05836 [0,0,0,0,0,1|2,0,1]=4 546 B11R1.172 C/C(=C/CNc1cccs1)/I 7b8ec30fda95dbe98402d9becc88bf73 [0,0,0,0,0,1|2,1,0]=4 547 B11R1.172 C/C(=C/CNc1ccno1)/I 598720a898c31233b75a094b83b1f57d [0,0,0,0,0,1|3,0,0]=4 548 B11R1.172 C/C(=C/CNc1ncco1)/I 1198fd1dc7f4da43d13f169b978d8b36 [0,0,0,0,0,1|3,0,0]=4 549 B11R1.172 C/C(=C/COc1ccco1)/I e7a7256bf0611df4a720252c02faadf1 [0,0,0,0,0,1|2,0,0]=3 550 B11R1.172 C/C(=C/COc1cccs1)/I 5104da2c76a416a6f0eb7a26779baa08 [0,0,0,0,0,1|2,1,0]=4 551 B11R1.172 C/C(=C\CNc1cccs1)/Cl 5064bc44f0f08470b74a6a869fc185db [0,0,0,0,0,1|2,1,0]=4 552 B11R1.172 C/C(=C\CNc1ccno1)/Cl 90d5e07fa8f961dfc91af1816e7a9a0a [0,0,0,0,0,1|3,0,0]=4 553 B11R1.172 C/C(=C\CNc1ncco1)/Cl 8ae58dd4900dbe31d7cd9a18e8d348ca [0,0,0,0,0,1|3,0,0]=4 554 B11R1.172 C/C(=C\COc1ccco1)/Cl 793a2f5d7b618d01d0ab06f1214f9f54 [0,0,0,0,0,1|2,0,0]=3 555 B11R1.172 C/C(=C\COc1cccs1)/Cl 6d14cfe4242f8b0612dd542f2dbefa50 [0,0,0,0,0,1|2,1,0]=4 556 B11R1.172 C=C(Br)CNCc1ccco1 da6f84909e521be128191fe48d0b450c [0,0,0,0,0,1|2,0,1]=4 557 B11R1.172 C=C(Br)COCc1ccc[nH]1 ed783890d41a4818450e0b0e126f468a [0,0,0,0,0,1|2,0,1]=4 558 B11R1.172 C=C(Br)COCc1ccco1 adb58c08cd71c960d8d80c04030afd59 [0,0,0,0,0,1|1,0,1]=3 559 B11R1.172 C=C(Br)COCc1cccs1 79acc3cb9e3d0a08c1b417f59d8fb12a [0,0,0,0,0,1|1,1,1]=4 560 B11R1.172 C=C(Br)COCc1ccno1 16c4cfdf05d9a9c724f6500b33c9d7ed [0,0,0,0,0,1|2,0,1]=4 561 B11R1.172 C=C(Br)COCc1cnco1 485a0730d0219ca94f46581f0a8b9bb3 [0,0,0,0,0,1|2,0,1]=4 562 B11R1.172 C=C(Br)COCc1ncco1 bbee2f7513832cb6308400b91785a31f [0,0,0,0,0,1|2,0,1]=4 563 B11R1.172 C=C(C)CCNc1ccco1 d13ab3139578804f2db3f1bc827b21b8 [0,0,0,0,0,1|2,0,0]=3 564 B11R1.172 C=C(C)CCNc1cccs1 5a089186d14dec5fc4073b9366288502 [0,0,0,0,0,1|2,1,0]=4 565 B11R1.172 C=C(C)CCNc1ccno1 3271a60246facbc727a759f2886dbbef [0,0,0,0,0,1|3,0,0]=4 566 B11R1.172 C=C(C)CCNc1ncco1 6c80135d7071e9804ef0ff147a3afdee [0,0,0,0,0,1|3,0,0]=4 567 B11R1.172 C=C(C)CCOc1ccco1 b5bfa72618728008bf7e5b105d505c14 [0,0,0,0,0,1|2,0,0]=3 568 B11R1.172 C=C(C)CCOc1cccs1 8b3bb761b6300d709236e7861da73eac [0,0,0,0,0,1|2,1,0]=4 569 B11R1.172 C=C(C)CNCc1ccc[nH]1 24361a3a8cfef21fff5324d265aad641 [0,0,0,0,0,1|3,0,0]=4 570 B11R1.172 C=C(C)CNCc1ccco1 b8e84244edcb166dae9a2b7d3f4218dd [0,0,0,0,0,1|2,0,0]=3 571 B11R1.172 C=C(C)CNCc1cccs1 7ebf6cda319f82ed73d380f9dad6c522 [0,0,0,0,0,1|2,1,0]=4 572 B11R1.172 C=C(C)CNCc1ccno1 d519411305e0279af766f8faebafdc9f [0,0,0,0,0,1|3,0,0]=4 573 B11R1.172 C=C(C)CNCc1cnco1 811fbe1d7ea8683ea85cc9a6d99c8e5a [0,0,0,0,0,1|3,0,0]=4 574 B11R1.172 C=C(C)CNCc1ncco1 bc44d6dc132c98f8fc821a08ee56ae61 [0,0,0,0,0,1|3,0,0]=4 575 B11R1.172 C=C(C)COCc1cc[nH]c1 61d39546d4dd213878c11941a46e8520 [0,0,0,0,0,1|3,0,0]=4 576 B11R1.172 C=C(C)COCc1ccc[nH]1 208f7238ede00f26b111960d3f28b4f5 [0,0,0,0,0,1|2,0,0]=3 577 B11R1.172 C=C(C)COCc1ccco1 ee5f525ea9421d6d2e16283e93cac648 [0,0,0,0,0,1|1,0,0]=2 578 B11R1.172 C=C(C)COCc1cccs1 7c2cb0f06dd6c65fd763460f0aa3e191 [0,0,0,0,0,1|1,1,0]=3 579 B11R1.172 C=C(C)COCc1ccn[nH]1 17be9fd341658605907c12ad52d9933f [0,0,0,0,0,1|3,0,0]=4 580 B11R1.172 C=C(C)COCc1ccno1 d509b6b282f6eaf9c5ac07098d2e1bf5 [0,0,0,0,0,1|2,0,0]=3 581 B11R1.172 C=C(C)COCc1ccns1 73ce66c60123e2b8921e9704414cb5fc [0,0,0,0,0,1|2,1,0]=4 582 B11R1.172 C=C(C)COCc1ccon1 608eb7d2fccd9ad6cbb04f5aff65c5b3 [0,0,0,0,0,1|3,0,0]=4 583 B11R1.172 C=C(C)COCc1ccsc1 f737ad9d9243bc8a6a1fafb6ae0b05d0 [0,0,0,0,0,1|3,0,0]=4 584 B11R1.172 C=C(C)COCc1ccsn1 37080ce155703072b4ad003c111e3e00 [0,0,0,0,0,1|3,0,0]=4 585 B11R1.172 C=C(C)COCc1cnc[nH]1 2dba80a2d226720a1593756bad1c9ab3 [0,0,0,0,0,1|3,0,0]=4 586 B11R1.172 C=C(C)COCc1cnco1 aade584e6e31ffc3c81dda5dd47e27ad [0,0,0,0,0,1|2,0,0]=3 587 B11R1.172 C=C(C)COCc1cncs1 61a992efd7fea06bcce54545fcec794d [0,0,0,0,0,1|2,1,0]=4 588 B11R1.172 C=C(C)COCc1cocn1 b2a42310785b919199ea33315d0ce3e3 [0,0,0,0,0,1|3,0,0]=4 589 B11R1.172 C=C(C)COCc1cscn1 327b550de8b63d931c25c5dedf369d7f [0,0,0,0,0,1|3,0,0]=4 590 B11R1.172 C=C(C)COCc1ncc[nH]1 852488170aeb19c43462636ea6ec20a3 [0,0,0,0,0,1|3,0,0]=4 591 B11R1.172 C=C(C)COCc1ncco1 e0671292193454b5ff7081b0df773daf [0,0,0,0,0,1|2,0,0]=3 592 B11R1.172 C=C(C)COCc1nccs1 adf14933ad11243aaaadb72dd5ac370f [0,0,0,0,0,1|2,1,0]=4 593 B11R1.172 C=C(C)COCc1ncno1 ec6799a6e528b86bb803f9f664261900 [0,0,0,0,0,1|3,0,0]=4 594 B11R1.172 C=C(C)COCc1nnco1 33e877214e76fceb6c90fa7afcef5209 [0,0,0,0,0,1|3,0,0]=4 595 B11R1.172 C=C(C)COCn1cccn1 43412b6b3f964b8227b01de8a0df9519 [0,0,0,0,0,1|3,0,0]=4 596 B11R1.172 C=C(Cl)CNCc1ccco1 022aab41716ba12403bec32f9407cd23 [0,0,0,0,0,1|2,0,1]=4 597 B11R1.172 C=C(Cl)COCc1ccc[nH]1 b2ad7ccc0dbc28a0d06999099a65a4a8 [0,0,0,0,0,1|2,0,1]=4 598 B11R1.172 C=C(Cl)COCc1ccco1 39870290ab64f9dd9ce3a957932b776d [0,0,0,0,0,1|1,0,1]=3 599 B11R1.172 C=C(Cl)COCc1cccs1 d8fe300098ade9ed677333283ba1c164 [0,0,0,0,0,1|1,1,1]=4 600 B11R1.172 C=C(Cl)COCc1ccno1 dbc175d747eb66f14b50f89e7943e630 [0,0,0,0,0,1|2,0,1]=4 601 B11R1.172 C=C(Cl)COCc1cnco1 4001877191938617185c9997635460bb [0,0,0,0,0,1|2,0,1]=4 602 B11R1.172 C=C(Cl)COCc1ncco1 c2ba8b1a7d9b7b38ec916a2602db16f2 [0,0,0,0,0,1|2,0,1]=4 603 B11R1.172 C=C(F)CNCc1ccco1 a854fd8c24fdcdd4686a2c657522e223 [0,0,0,0,0,1|2,0,1]=4 604 B11R1.172 C=C(F)COCc1ccc[nH]1 ab42edf9e8bba3ec237636e8952307c4 [0,0,0,0,0,1|2,0,1]=4 605 B11R1.172 C=C(F)COCc1ccco1 54ca9dcca763f82a311c6fd0815f4286 [0,0,0,0,0,1|1,0,1]=3 606 B11R1.172 C=C(F)COCc1cccs1 c50761d3301e50465733fb7029e7316d [0,0,0,0,0,1|1,1,1]=4 607 B11R1.172 C=C(F)COCc1ccno1 ae56d4fb43437e3d2b23d66a8c7adad3 [0,0,0,0,0,1|2,0,1]=4 608 B11R1.172 C=C(F)COCc1cnco1 066882e2f43937e9eb23e55559dae402 [0,0,0,0,0,1|2,0,1]=4 609 B11R1.172 C=C(F)COCc1ncco1 201edc5deeb9b010898ada3ca3648a40 [0,0,0,0,0,1|2,0,1]=4 610 B11R1.172 C=C(I)COCc1cccs1 2a53c40f9ac3a07ea51e45032a65da45 [0,0,0,0,0,1|1,1,1]=4 611 B11R1.172 C=C(I)COCc1ccno1 7991fd9cf6791173e2f2dfe7afaae1e6 [0,0,0,0,0,1|2,0,1]=4 612 B11R1.172 C=C(I)COCc1ncco1 3d420eca8fea05194c2c54eb0521dcb2 [0,0,0,0,0,1|2,0,1]=4 613 B11R1.172 CC(=CCNc1ccco1)C facc7eca3dfd08a12a25c74be92a3245 [0,0,0,0,0,1|2,0,0]=3 614 B11R1.172 CC(=CCNc1cccs1)C 4bab43296fbe95b51c2395cb2d46dd83 [0,0,0,0,0,1|2,1,0]=4 615 B11R1.172 CC(=CCNc1cccs1)Cl 10eef368c90d85d4c6074539a9f26c34 [0,0,0,0,0,1|2,1,0]=4 616 B11R1.172 CC(=CCNc1cccs1)I e4c00762c0dc79912d2298ebb4bcf62b [0,0,0,0,0,1|2,1,0]=4 617 B11R1.172 CC(=CCNc1ccno1)C a762b9e8172785f31af0e7a6de34d4a5 [0,0,0,0,0,1|3,0,0]=4 618 B11R1.172 CC(=CCNc1ccno1)Cl f78878bde8230dbd2f571ca3768012a4 [0,0,0,0,0,1|3,0,0]=4 619 B11R1.172 CC(=CCNc1ccno1)I 1045d94459f786a612f1def52531b2fd [0,0,0,0,0,1|3,0,0]=4 620 B11R1.172 CC(=CCNc1ncco1)C e4743e390db7b18aafbc9e22ad5dce22 [0,0,0,0,0,1|3,0,0]=4 621 B11R1.172 CC(=CCNc1ncco1)Cl 5a664277b1e629eec86d889339a81ce6 [0,0,0,0,0,1|3,0,0]=4 622 B11R1.172 CC(=CCNc1ncco1)I e0c77bc304d615788b54ab76ee8a0950 [0,0,0,0,0,1|3,0,0]=4 623 B11R1.172 CC(=CCOc1ccco1)C 143f223a2771e7d2e271b2ebb556a34d [0,0,0,0,0,1|2,0,0]=3 624 B11R1.172 CC(=CCOc1ccco1)Cl f90b16e48a4ad6694cf3c5ebb6dba78f [0,0,0,0,0,1|2,0,0]=3 625 B11R1.172 CC(=CCOc1ccco1)I a8b941715521049c9f90a0e42181334c [0,0,0,0,0,1|2,0,0]=3 626 B11R1.172 CC(=CCOc1cccs1)C 533b2b7ba40d63d053cdf6d03daff217 [0,0,0,0,0,1|2,1,0]=4 627 B11R1.172 CC(=CCOc1cccs1)Cl fc4960b961b387f3fa1dcd9e67184d21 [0,0,0,0,0,1|2,1,0]=4 628 B11R1.172 CC(=CCOc1cccs1)I 85f2f145afc4503fb90fefd776fd2123 [0,0,0,0,0,1|2,1,0]=4 629 B11R1.172 CC(=O)CCNc1cc[nH]n1 883daeb3188304b9d7044762105d7937 [0,0,0,0,0,1|3,0,0]=4 630 B11R1.172 CC(=O)CCNc1cccs1 3705e6b236dd0e242edc581b5639fa6d [0,0,0,0,0,1|1,1,0]=3 631 B11R1.172 CC(=O)CCNc1ccno1 abfc6c3a57c95c77d51b6355ee5e87dd [0,0,0,0,0,1|2,0,0]=3 632 B11R1.172 CC(=O)CCNc1ccns1 d2fe2729b8ffd28cfa6ff3bc9a9bd816 [0,0,0,0,0,1|2,1,0]=4 633 B11R1.172 CC(=O)CCNc1ccon1 fa2bb5bb8d68fa453bbdefdb1d759682 [0,0,0,0,0,1|3,0,0]=4 634 B11R1.172 CC(=O)CCNc1ccsc1 651e0759f022e69c9736f48a37d6dc91 [0,0,0,0,0,1|3,0,0]=4 635 B11R1.172 CC(=O)CCNc1cncs1 bce7d96e9d22cce9e72ec22be1ef03a0 [0,0,0,0,0,1|2,1,0]=4 636 B11R1.172 CC(=O)CCNc1cocn1 f4edda95f1039e89d30a273f43e079c6 [0,0,0,0,0,1|3,0,0]=4 637 B11R1.172 CC(=O)CCNc1cscn1 bae0a140e53827c0132f1292745b570f [0,0,0,0,0,1|3,0,0]=4 638 B11R1.172 CC(=O)CCNc1ncc[nH]1 f62fc8122f45927eb0ccc652b7a4c5b1 [0,0,0,0,0,1|3,0,0]=4 639 B11R1.172 CC(=O)CCNc1ncco1 6db9a64456f72643bc08fa8bb5731698 [0,0,0,0,0,1|2,0,0]=3 640 B11R1.172 CC(=O)CCNc1nccs1 3d5d28b8f113842ebbf2ec44dd1bf59f [0,0,0,0,0,1|2,1,0]=4 641 B11R1.172 CC(=O)CCNc1nnco1 cfa5c20fbe8ebe82be2814641008381c [0,0,0,0,0,1|3,0,0]=4 642 B11R1.172 CC(=O)CCOc1c[nH]cn1 5a2c247b0e6ea2d9a0d6482af004727a [0,0,0,0,0,1|3,0,0]=4 643 B11R1.172 CC(=O)CCOc1ccco1 1304331aa569973df701f4c541cd36f9 [0,0,0,0,0,1|1,0,0]=2 644 B11R1.172 CC(=O)CCOc1cccs1 b63fa1eb430f81b21edb5306b25d0cdb [0,0,0,0,0,1|1,1,0]=3 645 B11R1.172 CC(=O)CCOc1ccn[nH]1 c77d754b208302e74f11af0969affc27 [0,0,0,0,0,1|3,0,0]=4 646 B11R1.172 CC(=O)CCOc1ccsc1 fee7f80d39017e359bb48461fa26983e [0,0,0,0,0,1|3,0,0]=4 647 B11R1.172 CC(=O)CCOc1nccs1 cf08ec43f863de4c460f793b78c9f67a [0,0,0,0,0,1|2,1,0]=4 648 B11R1.172 CC(=O)CCOn1cccn1 97b5dcdee09e1afa32f5e7b00efd9045 [0,0,0,0,0,1|3,0,0]=4 649 B11R1.172 CC(=O)CNCc1ccco1 5349a004945f22466223fdea062b1a26 [0,0,0,0,0,1|1,0,0]=2 650 B11R1.172 CC(=O)CNCc1cccs1 b1e4a802d58216630369ed1cb1193c6c [0,0,0,0,0,1|1,1,0]=3 651 B11R1.172 CC(=O)CNCc1ccno1 9d433d4075491746a313ee42cd7c05da [0,0,0,0,0,1|2,0,0]=3 652 B11R1.172 CC(=O)CNCc1ccon1 23626df2e39d6d34262af4f6b23b9170 [0,0,0,0,0,1|3,0,0]=4 653 B11R1.172 CC(=O)CNCc1ccsc1 16ff0b76a99c7d3314b4299765d3106e [0,0,0,0,0,1|3,0,0]=4 654 B11R1.172 CC(=O)CNCc1cnc[nH]1 7961c596f66c2db5f4c710df2da78fd9 [0,0,0,0,0,1|3,0,0]=4 655 B11R1.172 CC(=O)CNCc1cnco1 99f78d679b27a44216bef491e144dcce [0,0,0,0,0,1|2,0,0]=3 656 B11R1.172 CC(=O)CNCc1cocn1 5a325c13f3d51587b1011738e379fe43 [0,0,0,0,0,1|3,0,0]=4 657 B11R1.172 CC(=O)CNCc1cscn1 50abab540491be2882a1c0a0909785fd [0,0,0,0,0,1|3,0,0]=4 658 B11R1.172 CC(=O)CNCc1ncc[nH]1 778742788fb1ab1bab5ccf4fe2a0da32 [0,0,0,0,0,1|3,0,0]=4 659 B11R1.172 CC(=O)CNCc1ncco1 08548bfba2487e3629cbfdeac38ddfed [0,0,0,0,0,1|2,0,0]=3 660 B11R1.172 CC(=O)CNCc1nccs1 a8747eb331576143633e408625f188a4 [0,0,0,0,0,1|2,1,0]=4 661 B11R1.172 CC(=O)CNCc1ncno1 83bb31529ce46ee4ded2789dbac5f2aa [0,0,0,0,0,1|3,0,0]=4 662 B11R1.172 CC(=O)CNCc1nnco1 709d2b2a6e3108900fe1c8be8b9e1227 [0,0,0,0,0,1|3,0,0]=4 663 B11R1.172 CC(=O)COCC1CC=CC1 67139cc0b48b219e1fc8f5cbe3f8520a [0,0,0,0,0,1|1,0,2]=4 664 B11R1.172 CC(=O)COCc1ccco1 eb376918d478215b7784a307211ac4b9 [0,0,0,0,0,1|0,0,0]=1 665 B11R1.172 CC(=O)COCc1cccs1 230c5eb2cad29c6e94ed984c95bb8914 [0,0,0,0,0,1|0,1,0]=2 666 B11R1.172 CC(=O)COCc1ccno1 c0aa8f40aff12f310b3637c4247f89a6 [0,0,0,0,0,1|1,0,0]=2 667 B11R1.172 CC(=O)COCc1ccon1 9e19981729836118dd19c0826084c66d [0,0,0,0,0,1|2,0,0]=3 668 B11R1.172 CC(=O)COCc1ccsc1 78bf80be00349b2116046f3effe94e73 [0,0,0,0,0,1|2,0,0]=3 669 B11R1.172 CC(=O)COCc1cnc[nH]1 8cf8a4d7b712ee5ea9cd56a3720c3ebf [0,0,0,0,0,1|2,0,0]=3 670 B11R1.172 CC(=O)COCc1cnoc1 eb6c66a778fff86aa029dc54d5fa31be [0,0,0,0,0,1|3,0,0]=4 671 B11R1.172 CC(=O)COCc1cocn1 1dc479cb33ceaf076f3723d82bb37f46 [0,0,0,0,0,1|2,0,0]=3 672 B11R1.172 CC(=O)COCc1cscn1 19a63737f28646eb23fa503a4700b862 [0,0,0,0,0,1|2,0,0]=3 673 B11R1.172 CC(=O)COCc1nc[nH]n1 67206ef46f3011cc5fd571ae58cd4fb2 [0,0,0,0,0,1|3,0,0]=4 674 B11R1.172 CC(=O)COCc1ncc[nH]1 63019179786ec8451185c7af212d962c [0,0,0,0,0,1|2,0,0]=3 675 B11R1.172 CC(=O)COCc1ncco1 6392edc6fd8ff743b74fd77ae0ebc6d1 [0,0,0,0,0,1|1,0,0]=2 676 B11R1.172 CC(=O)COCc1nccs1 f6b227f8e0531f674da6013bb44fdfb1 [0,0,0,0,0,1|1,1,0]=3 677 B11R1.172 CC(=O)COCc1ncno1 1d52bc01789c9da548e7c29e4041ef4d [0,0,0,0,0,1|2,0,0]=3 678 B11R1.172 CC(=O)COCc1ncon1 4c7449d2a7469e8fd6d60f010e6872f0 [0,0,0,0,0,1|3,0,0]=4 679 B11R1.172 CC(=O)COCc1nnco1 68ccb48fc8eeef73f00246e8f53646e6 [0,0,0,0,0,1|2,0,0]=3 680 B11R1.172 CC(=O)COCn1cncn1 379fdad34f424ea03b90faf48e16283d [0,0,0,0,0,1|3,0,0]=4 681 B11R1.172 CC(=O)COCn1nccn1 eec02d69b1d57543d037edcfa3722cbd [0,0,0,0,0,1|3,0,0]=4 682 B11R1.172 CC(=O)NCCc1ccco1 f97fcd1be9cacf4675351753b4b97ccf [0,0,0,0,0,1|1,0,0]=2 683 B11R1.172 CC(=O)NCCc1cccs1 b2bccd28809b44ec5e70798b6aa4c45f [0,0,0,0,0,1|1,1,0]=3 684 B11R1.172 CC(=O)NCCc1ccsc1 10819fa3dfc260c6efcff456e5254d1c [0,0,0,0,0,1|3,0,0]=4 685 B11R1.172 CC(=O)NCCc1cscn1 5a0e906e9ec17b0b664a4310d6205079 [0,0,0,0,0,1|3,0,0]=4 686 B11R1.172 CC(=O)NCCc1nccs1 e199f90e06fe8a9fa8ec6cff53ae1078 [0,0,0,0,0,1|2,1,0]=4 687 B11R1.172 CC(=O)NCCn1cccc1 90ca4d7dc3d7deccd3fd7667822b2621 [0,0,0,0,0,1|3,0,0]=4 688 B11R1.172 CC(=O)NCCn1cccn1 09d1495aa7ae7b34ce16de2f3bc9823f [0,0,0,0,0,1|3,0,0]=4 689 B11R1.172 CC(=O)OCCN1CC=CC1 7a4664ee6ed45db3546a1763dd0f20bb [0,0,0,0,0,1|2,0,1]=4 690 B11R1.172 CC(=O)OCNC1CC=CC1 e1def20f29bd0c93311fb098df0da8e2 [0,0,0,0,0,1|1,0,2]=4 691 B11R1.172 CC(=O)OCNc1cc[nH]n1 f1d4e3409eb19701aaae47828ddadb2c [0,0,0,0,0,1|2,0,0]=3 692 B11R1.172 CC(=O)OCNc1cccs1 9bfb4558c6114317955d0a73b0c80837 [0,0,0,0,0,1|0,1,0]=2 693 B11R1.172 CC(=O)OCNc1ccno1 8b3ce7fe1a45c29dd7c984f3eae3a57e [0,0,0,0,0,1|1,0,0]=2 694 B11R1.172 CC(=O)OCNc1ccns1 01133f4c5678a6331e1021a3842e6d84 [0,0,0,0,0,1|1,1,0]=3 695 B11R1.172 CC(=O)OCNc1ccon1 4d3da0c7217ff2f017b541fce9582b6c [0,0,0,0,0,1|2,0,0]=3 696 B11R1.172 CC(=O)OCNc1ccsc1 a16b14492d247d5b0fba4c89c8652c37 [0,0,0,0,0,1|2,0,0]=3 697 B11R1.172 CC(=O)OCNc1cn[nH]c1 7dc2958bd7cbfd90ce31adae504646b3 [0,0,0,0,0,1|3,0,0]=4 698 B11R1.172 CC(=O)OCNc1cncs1 9a6e7eff9e67f8d7869dbea990d12924 [0,0,0,0,0,1|1,1,0]=3 699 B11R1.172 CC(=O)OCNc1cnns1 1adfc41c375af76429681910e1b3cbba [0,0,0,0,0,1|2,1,0]=4 700 B11R1.172 CC(=O)OCNc1cnoc1 e53739087b78bad5252705853469b416 [0,0,0,0,0,1|3,0,0]=4 701 B11R1.172 CC(=O)OCNc1cnon1 bf990502958e858c88a7e195c99ef3e8 [0,0,0,0,0,1|3,0,0]=4 702 B11R1.172 CC(=O)OCNc1cnsc1 93c436316e7d154e0fc2e64bf8a3f8ca [0,0,0,0,0,1|3,0,0]=4 703 B11R1.172 CC(=O)OCNc1cocn1 dd521c2131d3bdac6bae185b11c989b6 [0,0,0,0,0,1|2,0,0]=3 704 B11R1.172 CC(=O)OCNc1cscn1 c1fe35d7a3b6c55d0700de45dfb1de72 [0,0,0,0,0,1|2,0,0]=3 705 B11R1.172 CC(=O)OCNc1nc[nH]n1 a636bab26ad996f00d2fbda17d77cc23 [0,0,0,0,0,1|3,0,0]=4 706 B11R1.172 CC(=O)OCNc1ncc[nH]1 fa8f0e4b6cef200e463b5cd2599645c4 [0,0,0,0,0,1|2,0,0]=3 707 B11R1.172 CC(=O)OCNc1ncco1 5827ef4ddf2b1a5038d42cb3806f2688 [0,0,0,0,0,1|1,0,0]=2 708 B11R1.172 CC(=O)OCNc1nccs1 dd895c7060485b6d76ce578804f9fd66 [0,0,0,0,0,1|1,1,0]=3 709 B11R1.172 CC(=O)OCNc1ncns1 ed3c151b6c25f68d50caa199cc662d66 [0,0,0,0,0,1|2,1,0]=4 710 B11R1.172 CC(=O)OCNc1ncon1 4940595d01c5402522d8f8a8e2da0190 [0,0,0,0,0,1|3,0,0]=4 711 B11R1.172 CC(=O)OCNc1ncsn1 a1db9ecc5c7bbb364cff2ba4854d1351 [0,0,0,0,0,1|3,0,0]=4 712 B11R1.172 CC(=O)OCNc1nnco1 587d3b4d296aeb2127b5af8bbbf56745 [0,0,0,0,0,1|2,0,0]=3 713 B11R1.172 CC(=O)OCNc1nncs1 de880000d4fa13ec3ca1abe413a70d36 [0,0,0,0,0,1|2,1,0]=4 714 B11R1.172 CC(=O)OCOC1C=CCC1 495b762572f5db5640e5b71381987164 [0,0,0,0,0,1|1,0,2]=4 715 B11R1.172 CC(=O)OCOC1CC=CC1 f39ea0d10a87afee64d68b6b692cb743 [0,0,0,0,0,1|1,0,2]=4 716 B11R1.172 CC(=O)OCOc1c[nH]cn1 77ad85680c2a23ead707f1ef692fee0a [0,0,0,0,0,1|2,0,0]=3 717 B11R1.172 CC(=O)OCOc1ccco1 18a8842f6bf66d2e01121a7a178b294d [0,0,0,0,0,1|0,0,0]=1 718 B11R1.172 CC(=O)OCOc1cccs1 01a2361020ef2a379439fd07806b9e9d [0,0,0,0,0,1|0,1,0]=2 719 B11R1.172 CC(=O)OCOc1ccn[nH]1 e88b57273b4b2d97d84fd5766bcbdbcc [0,0,0,0,0,1|2,0,0]=3 720 B11R1.172 CC(=O)OCOc1ccsc1 5d38b23aafc842ce5f7b8229487d2e29 [0,0,0,0,0,1|2,0,0]=3 721 B11R1.172 CC(=O)OCOc1cn[nH]c1 b88cebaa8806e3e7b27011f6cec5a789 [0,0,0,0,0,1|3,0,0]=4 722 B11R1.172 CC(=O)OCOc1cnoc1 e679d1718e0a75c4f07c7fbd04fb3eef [0,0,0,0,0,1|3,0,0]=4 723 B11R1.172 CC(=O)OCOc1cnsn1 31544201a3acbbbededdd868b79096d1 [0,0,0,0,0,1|3,0,0]=4 724 B11R1.172 CC(=O)OCOc1nccs1 a61f9bf88998c7775f63e887f1f8e3e8 [0,0,0,0,0,1|1,1,0]=3 725 B11R1.172 CC(=O)OCOc1nncs1 21057dd9fd9375dd9838c8337af86c6f [0,0,0,0,0,1|2,1,0]=4 726 B11R1.172 CC(=O)OCOn1cccn1 8d7ea3787a22a61e882111ec2e7551a7 [0,0,0,0,0,1|2,0,0]=3 727 B11R1.172 CC(=O)OCOn1ccnc1 57b0a9f0872af988ad818722e15b1b33 [0,0,0,0,0,1|3,0,0]=4 728 B11R1.172 CC(C)CCNc1ccco1 0e041b2f4b640f51ce49397377a10223 [0,0,0,0,0,1|2,0,1]=4 729 B11R1.172 CC(C)CCOc1ccco1 8d841360fc8b7eeb8a9816f92abe8dd7 [0,0,0,0,0,1|2,0,1]=4 730 B11R1.172 CC(C)CNCc1ccco1 1b61b056633b02c6b253717bdc3f6b4e [0,0,0,0,0,1|2,0,1]=4 731 B11R1.172 CC(C)COCc1ccc[nH]1 5a8c3097a96460e302a65efef3ee13ad [0,0,0,0,0,1|2,0,1]=4 732 B11R1.172 CC(C)COCc1ccco1 99062e49951b35e6277ae5df50b7eb8b [0,0,0,0,0,1|1,0,1]=3 733 B11R1.172 CC(C)COCc1cccs1 9d12584da4da3768cc88ad1ee50f3323 [0,0,0,0,0,1|1,1,1]=4 734 B11R1.172 CC(C)COCc1ccno1 0240489bbad69062b38605a77d2eed04 [0,0,0,0,0,1|2,0,1]=4 735 B11R1.172 CC(C)COCc1cnco1 03c178efb92149ff599fbbc26d9d2261 [0,0,0,0,0,1|2,0,1]=4 736 B11R1.172 CC(C)COCc1ncco1 987d59bd6b526214c9dfc70588ee37f2 [0,0,0,0,0,1|2,0,1]=4 737 B11R1.172 CC(C)NCCc1ccco1 f5a48b9013a3de5311256701c81ca609 [0,0,0,0,0,1|2,0,1]=4 738 B11R1.172 CC(C)OCCc1ccc[nH]1 b795ec8b9482be4f91d31fc84cdf4434 [0,0,0,0,0,1|2,0,1]=4 739 B11R1.172 CC(C)OCCc1ccco1 e7f3ba800a326f72fff6110f1619a3df [0,0,0,0,0,1|1,0,1]=3 740 B11R1.172 CC(C)OCCc1cccs1 2146c5876f28335c6af6107c79243d30 [0,0,0,0,0,1|1,1,1]=4 741 B11R1.172 CC(C)OCNc1cccs1 902f5dfae26fa45a66ff6d07ce82312e [0,0,0,0,0,1|1,1,1]=4 742 B11R1.172 CC(C)OCNc1ccno1 49dcb4e9d1bca6df182ee82a68c75c25 [0,0,0,0,0,1|2,0,1]=4 743 B11R1.172 CC(C)OCNc1ncco1 ca14dd3905a1c7ebfc9a4264a20c133a [0,0,0,0,0,1|2,0,1]=4 744 B11R1.172 CC(C)OCOc1ccco1 94ef49e4a6ce8f3dd52623eab2ad6e1b [0,0,0,0,0,1|1,0,1]=3 745 B11R1.172 CC(C)OCOc1cccs1 795d0875cdce427bfb4649eb2c81626f [0,0,0,0,0,1|1,1,1]=4 746 B11R1.172 CC(F)COCc1ccco1 d0f129770505d2aafab7a0041834f6ad [0,0,0,0,0,1|1,0,1]=3 747 B11R1.172 CC(F)COCc1cccs1 9035fc746e51d6905252026e3e6a2ce5 [0,0,0,0,0,1|1,1,1]=4 748 B11R1.172 CC(F)COCc1ccno1 44418fdafb4a14e1012fc711a7e87b14 [0,0,0,0,0,1|2,0,1]=4 749 B11R1.172 CC(F)COCc1ncco1 1cc8ad32765f9ff8b40b65ece9c952d3 [0,0,0,0,0,1|2,0,1]=4 750 B11R1.172 CC(O)CNCc1ccco1 dba85ac96ca60610e6077e0d05d62bcd [0,0,0,0,0,1|1,0,2]=4 751 B11R1.172 CC(S)COCc1ccco1 64d0adfb42f5538807c786da49eb2388 [0,0,0,0,0,1|0,1,1]=3 752 B11R1.172 CC(S)COCc1cccs1 d767ed87ab446f6cba115b5caffd9073 [0,0,0,0,0,1|0,2,1]=4 753 B11R1.172 CC(S)COCc1ccno1 0389b2c7ceac5655f4dc390cb93330e8 [0,0,0,0,0,1|1,1,1]=4 754 B11R1.172 CC(S)COCc1ncco1 9fb9d360e3ff34cc641550b20da5e1b5 [0,0,0,0,0,1|1,1,1]=4 755 B11R1.172 CN(C)CCNc1ccco1 9c4c9a92fc72f7218aa7192da3b54150 [0,0,0,0,0,1|3,0,0]=4 756 B11R1.172 CN(C)CCOc1ccco1 7522b649958b5b49c4aef79351655606 [0,0,0,0,0,1|3,0,0]=4 757 B11R1.172 CN(C)CNCc1ccco1 46aa4a5e6d23aa3ba85f84bccf917361 [0,0,0,0,0,1|3,0,0]=4 758 B11R1.172 CN(C)COCc1ccc[nH]1 68520dbaa8d6b807fce04cdd8301363f [0,0,0,0,0,1|3,0,0]=4 759 B11R1.172 CN(C)COCc1ccco1 df03d7b24780c6fad8a058d77a006c79 [0,0,0,0,0,1|2,0,0]=3 760 B11R1.172 CN(C)COCc1ccno1 5ca2500858de391768d7dad3cdc50512 [0,0,0,0,0,1|3,0,0]=4 761 B11R1.172 CN(C)COCc1ncco1 c904e19e7b1d3669be9b8ed3c6f8d344 [0,0,0,0,0,1|3,0,0]=4 762 B11R1.172 CS(=O)CCNc1ccco1 b5c41bf9a4c4b4784e62738332f55e27 [0,0,0,0,0,1|2,0,0]=3 763 B11R1.172 CS(=O)CCNc1cccs1 78823b7fe6cdd8da25e017f2ea6de717 [0,0,0,0,0,1|2,1,0]=4 764 B11R1.172 CS(=O)CCNc1ccno1 51fb5ceefe750018a2fb6bdec9830fac [0,0,0,0,0,1|3,0,0]=4 765 B11R1.172 CS(=O)CCNc1ncco1 193b49e7b235775d5a979f1247a1639c [0,0,0,0,0,1|3,0,0]=4 766 B11R1.172 CS(=O)CCOc1ccco1 ebae9dbe7878c9e08d546f06556993fc [0,0,0,0,0,1|2,0,0]=3 767 B11R1.172 CS(=O)CCOc1cccs1 9105791bd08007ee4b3b545cf4f4d4b4 [0,0,0,0,0,1|2,1,0]=4 768 B11R1.172 C[C@@H](F)COCc1ccco1 d6b942e64f19e537e65fb887839c99a6 [0,0,0,0,0,1|1,0,1]=3 769 B11R1.172 C[C@@H](F)COCc1cccs1 39fbb95f05fba443250a39ac0e069ade [0,0,0,0,0,1|1,1,1]=4 770 B11R1.172 C[C@@H](F)COCc1ccno1 434773d054dbc890d5f56bea6b239add [0,0,0,0,0,1|2,0,1]=4 771 B11R1.172 C[C@@H](F)COCc1ncco1 02e16fa5daad205df453af1bc3af671e [0,0,0,0,0,1|2,0,1]=4 772 B11R1.172 C[C@@H](O)CNCc1ccco1 63796111ed16563c371374fd22b9d739 [0,0,0,0,0,1|1,0,2]=4 773 B11R1.172 C[C@H](F)COCc1ccco1 fbf7bd3431d8f8c5f513c23259a8679a [0,0,0,0,0,1|1,0,1]=3 774 B11R1.172 C[C@H](F)COCc1cccs1 a5ac52ecaa06dd8381bf8a23ee830366 [0,0,0,0,0,1|1,1,1]=4 775 B11R1.172 C[C@H](F)COCc1ccno1 8da00859c0911312d34476129ed13674 [0,0,0,0,0,1|2,0,1]=4 776 B11R1.172 C[C@H](F)COCc1ncco1 fab287dfcf2bff821b220f823828cdba [0,0,0,0,0,1|2,0,1]=4 777 B11R1.172 C[C@H](O)CNCc1ccco1 14b70b5b444307109cbe8cf07983b605 [0,0,0,0,0,1|1,0,2]=4 778 B11R1.172 ClC(=CCOc1ccco1)Cl 4ff446ffcb7e393480d9757b9a1099e1 [0,0,0,0,0,1|3,0,0]=4 779 B11R1.172 FC(F)COCc1ccco1 b8dfda2c998592b7be5d95e4bbd963c9 [0,0,0,0,0,1|2,0,1]=4 780 B11R1.172 NC(=O)CCNc1ccco1 ab32532f1c3dbe5d91a357acfbdf218d [0,0,0,0,0,1|2,0,0]=3 781 B11R1.172 NC(=O)CCNc1cccs1 4c3df2dedde37ddbd71ba489063312db [0,0,0,0,0,1|2,1,0]=4 782 B11R1.172 NC(=O)CCNc1ccno1 a3a00f0cbcfd7190a505935461c9207f [0,0,0,0,0,1|3,0,0]=4 783 B11R1.172 NC(=O)CCNc1ncco1 c57de53ae0c567e6c73e34084a704dbb [0,0,0,0,0,1|3,0,0]=4 784 B11R1.172 NC(=O)CCOc1ccco1 62568bce3153cbd2dbe9e7f3e41fdb78 [0,0,0,0,0,1|2,0,0]=3 785 B11R1.172 NC(=O)CCOc1cccs1 abb566272552117d2cc0a0d6c3db031e [0,0,0,0,0,1|2,1,0]=4 786 B11R1.172 NC(=O)CNCc1ccc[nH]1 4d885322b19f56ef9a7adef5ac07e13a [0,0,0,0,0,1|3,0,0]=4 787 B11R1.172 NC(=O)CNCc1ccco1 66bbe09b4a4fd1abe2eabcc09ff61502 [0,0,0,0,0,1|2,0,0]=3 788 B11R1.172 NC(=O)CNCc1cccs1 ff189ba2aaf7a428fabbec9788965050 [0,0,0,0,0,1|2,1,0]=4 789 B11R1.172 NC(=O)CNCc1ccno1 a6a9aa405bf1f5943bff9d9eccc22981 [0,0,0,0,0,1|3,0,0]=4 790 B11R1.172 NC(=O)CNCc1cnco1 79b996ea014dc992e10e1bffe38c4d1b [0,0,0,0,0,1|3,0,0]=4 791 B11R1.172 NC(=O)CNCc1ncco1 b21d6713df6f65ea5d089e9d1a3132df [0,0,0,0,0,1|3,0,0]=4 792 B11R1.172 NC(=O)COCc1cc[nH]c1 ca9a17aa36d73f55106881bb289d5442 [0,0,0,0,0,1|3,0,0]=4 793 B11R1.172 NC(=O)COCc1ccc[nH]1 b6e75ef9e7be437d4d16b0504d02f6b9 [0,0,0,0,0,1|2,0,0]=3 794 B11R1.172 NC(=O)COCc1ccco1 23772c88c899aa3b4db4adceab3b722e [0,0,0,0,0,1|1,0,0]=2 795 B11R1.172 NC(=O)COCc1cccs1 82a49a500242b4259e12addce264b1e6 [0,0,0,0,0,1|1,1,0]=3 796 B11R1.172 NC(=O)COCc1ccn[nH]1 6f579fe487e8d2ab55a160f67be6bed1 [0,0,0,0,0,1|3,0,0]=4 797 B11R1.172 NC(=O)COCc1ccno1 6f721013f21bb80b757919db205aa84b [0,0,0,0,0,1|2,0,0]=3 798 B11R1.172 NC(=O)COCc1ccns1 ecba41fd6b3a23be9609ca212059a0f3 [0,0,0,0,0,1|2,1,0]=4 799 B11R1.172 NC(=O)COCc1ccoc1 10de63caf496e53994b2dd289b010c4f [0,0,0,0,0,1|3,0,0]=4 800 B11R1.172 NC(=O)COCc1ccon1 e1caa2fb5304f52b7732ee0b78864aab [0,0,0,0,0,1|3,0,0]=4 801 B11R1.172 NC(=O)COCc1ccsc1 3d23985dfc1690127b9f0f1b1c7fa999 [0,0,0,0,0,1|3,0,0]=4 802 B11R1.172 NC(=O)COCc1ccsn1 9a32a472934d8c125eb35892e886eb0f [0,0,0,0,0,1|3,0,0]=4 803 B11R1.172 NC(=O)COCc1cnc[nH]1 cd69702e779d05191239ab55fe479ed9 [0,0,0,0,0,1|3,0,0]=4 804 B11R1.172 NC(=O)COCc1cnco1 a85d625518924ef7da0254fd9f9fcb67 [0,0,0,0,0,1|2,0,0]=3 805 B11R1.172 NC(=O)COCc1cncs1 ea444cb5c527fa97fe1d8b99991e0c04 [0,0,0,0,0,1|2,1,0]=4 806 B11R1.172 NC(=O)COCc1cocn1 346ed68517b24cb7ad6c65717dcb18bb [0,0,0,0,0,1|3,0,0]=4 807 B11R1.172 NC(=O)COCc1cscn1 3fac59ce4fce802fbaa9cef874f44fa3 [0,0,0,0,0,1|3,0,0]=4 808 B11R1.172 NC(=O)COCc1ncc[nH]1 9025dbcdbdeb3076eb5e5490a1973b30 [0,0,0,0,0,1|3,0,0]=4 809 B11R1.172 NC(=O)COCc1ncco1 702d6ddeec97d8dc376db8abcd2c8d4c [0,0,0,0,0,1|2,0,0]=3 810 B11R1.172 NC(=O)COCc1nccs1 78281a80c4e83d1c41cb266ece532006 [0,0,0,0,0,1|2,1,0]=4 811 B11R1.172 NC(=O)COCc1ncno1 110623ff2e8dab56c361ddcc987a4e69 [0,0,0,0,0,1|3,0,0]=4 812 B11R1.172 NC(=O)COCc1nnco1 5d82327ce0491898d55a01698961bf29 [0,0,0,0,0,1|3,0,0]=4 813 B11R1.172 NC(=O)COCn1cccn1 a40597a97678afc9e4c950056c86cfc1 [0,0,0,0,0,1|3,0,0]=4 814 B11R1.172 NC(=O)SCNc1cccs1 3d9dd94c661e568f94255e6538ccdf9d [0,0,0,0,0,1|1,2,0]=4 815 B11R1.172 NC(=O)SCNc1ccno1 aebd5b809375a9a04a3d733570a747fd [0,0,0,0,0,1|2,1,0]=4 816 B11R1.172 NC(=O)SCNc1ncco1 a2a3d021a3bf55537f4cb06a88e4d42f [0,0,0,0,0,1|2,1,0]=4 817 B11R1.172 NC(=O)SCOc1ccco1 b909ddeb0c2182be35eb564945d38c9f [0,0,0,0,0,1|1,1,0]=3 818 B11R1.172 NC(=O)SCOc1cccs1 0e5d146a5918e42230a363d9bdf07324 [0,0,0,0,0,1|1,2,0]=4 819 B11R1.172 NC(=S)CCNc1ccco1 9c5f9c301eece50604b40c0b83fbe39f [0,0,0,0,0,1|2,1,0]=4 820 B11R1.172 NC(=S)COCc1cccs1 b5b31ef52aa2c2049a3e526885fa2c47 [0,0,0,0,0,1|1,2,0]=4 821 B11R1.172 NC(=S)COCc1ccno1 5c5bd2ecadd5b95a0053c6464dea83e2 [0,0,0,0,0,1|2,1,0]=4 822 B11R1.172 NC(=S)COCc1ncco1 3ad0eabc096b5fff19602fcd7e282c36 [0,0,0,0,0,1|2,1,0]=4 823 B11R1.172 O=C(O)CCNc1cccs1 ce94cb2d46b17a86ed1a73ac7890105f [0,0,0,0,0,1|2,1,0]=4 824 B11R1.172 O=C(O)CCNc1ccno1 d4b6c1aacfe5e557161f479edb046e0e [0,0,0,0,0,1|3,0,0]=4 825 B11R1.172 O=C(O)CCNc1ncco1 dc8071ebf241cbcf7c6a3949dbbf648c [0,0,0,0,0,1|3,0,0]=4 826 B11R1.172 O=C(O)CCOc1ccco1 21b91de83358b466cc7a22fde4a1f9b0 [0,0,0,0,0,1|2,0,0]=3 827 B11R1.172 O=C(O)CNCc1ccc[nH]1 3d138a920c9fb2680fe73ae1ec866070 [0,0,0,0,0,1|3,0,0]=4 828 B11R1.172 O=C(O)CNCc1ccco1 4503a4764d3abcbc8a5487f0f255e772 [0,0,0,0,0,1|2,0,0]=3 829 B11R1.172 O=C(O)CNCc1cccs1 6589353daf6c6878fe13fe1bd5a05a32 [0,0,0,0,0,1|2,1,0]=4 830 B11R1.172 O=C(O)CNCc1ccno1 419f64ab65b7ba14cc8176532520daa1 [0,0,0,0,0,1|3,0,0]=4 831 B11R1.172 O=C(O)CNCc1cnco1 c69761e627827a8043deb8e0d16d89e2 [0,0,0,0,0,1|3,0,0]=4 832 B11R1.172 O=C(O)CNCc1ncco1 b6f80caf75d41ec248134f5ed4e33873 [0,0,0,0,0,1|3,0,0]=4 833 B11R1.172 O=C(O)COCc1cc[nH]c1 0000d8dd863a04d7f4797db125a9bade [0,0,0,0,0,1|3,0,0]=4 834 B11R1.172 O=C(O)COCc1ccc[nH]1 1e43b9635f5a6de6df4ac7f9f5040b2a [0,0,0,0,0,1|2,0,0]=3 835 B11R1.172 O=C(O)COCc1ccco1 86ba59a113605253dd8262c236f0c2b8 [0,0,0,0,0,1|1,0,0]=2 836 B11R1.172 O=C(O)COCc1cccs1 956edf8e319dd4bdec98a4daef429110 [0,0,0,0,0,1|1,1,0]=3 837 B11R1.172 O=C(O)COCc1ccn[nH]1 5f0fef531952241b9e474615a9f528cf [0,0,0,0,0,1|3,0,0]=4 838 B11R1.172 O=C(O)COCc1ccno1 92e9977c89b9e5d06471307043a1a583 [0,0,0,0,0,1|2,0,0]=3 839 B11R1.172 O=C(O)COCc1ccns1 fe333376cd3c8d1264ba25ac34d63c66 [0,0,0,0,0,1|2,1,0]=4 840 B11R1.172 O=C(O)COCc1ccon1 3fe80a324f95f34e99958a9e3592dc1c [0,0,0,0,0,1|3,0,0]=4 841 B11R1.172 O=C(O)COCc1ccsc1 7f5f261218aa0861585e6ab4d63555d6 [0,0,0,0,0,1|3,0,0]=4 842 B11R1.172 O=C(O)COCc1ccsn1 1761ef5a2d7ddab6eb9a929484ed6666 [0,0,0,0,0,1|3,0,0]=4 843 B11R1.172 O=C(O)COCc1cnc[nH]1 fe7086271119c575e10e59fd8a7ab1e9 [0,0,0,0,0,1|3,0,0]=4 844 B11R1.172 O=C(O)COCc1cnco1 ea1da8ce0a76f478c90c89d9c8a90ab0 [0,0,0,0,0,1|2,0,0]=3 845 B11R1.172 O=C(O)COCc1cocn1 f93d278a2fe950df72a6211245f5f818 [0,0,0,0,0,1|3,0,0]=4 846 B11R1.172 O=C(O)COCc1cscn1 fdc5bd1c51080fa79e5195e10498857b [0,0,0,0,0,1|3,0,0]=4 847 B11R1.172 O=C(O)COCc1ncc[nH]1 a21d21d2075106628e8194398a557b79 [0,0,0,0,0,1|3,0,0]=4 848 B11R1.172 O=C(O)COCc1ncco1 cde8867d534088f4e8ef37a93ab4a4b1 [0,0,0,0,0,1|2,0,0]=3 849 B11R1.172 O=C(O)COCc1nccs1 1369eed8b3315a92894b12c7390650b7 [0,0,0,0,0,1|2,1,0]=4 850 B11R1.172 O=C(O)COCc1ncno1 1bb7fa03276eb1e75e38c09246a25307 [0,0,0,0,0,1|3,0,0]=4 851 B11R1.172 O=C(O)COCc1nnco1 0d6d25bab6998b80d2efd2d725766c44 [0,0,0,0,0,1|3,0,0]=4 852 B11R1.172 O=C(O)COCn1cccn1 6748d5f0e422c386b47b5345fb9b68cd [0,0,0,0,0,1|3,0,0]=4 853 B11R1.172 O=S(O)CCNc1ccco1 c8c48422e87940db7945f996ca1a423b [0,0,0,0,0,1|3,0,0]=4 854 B11R1.172 O=S(O)COCc1ccco1 2c4930c72f1264510282a2d0d1cd440d [0,0,0,0,0,1|2,0,0]=3 855 B11R1.172 O=S(O)COCc1cccs1 a7cca5f06e3cbbce2bc27f06f06acdaa [0,0,0,0,0,1|2,1,0]=4 856 B11R1.172 O=S(O)COCc1ccno1 758bcd6d592f804e4f88d84a179c0bae [0,0,0,0,0,1|3,0,0]=4 857 B11R1.172 O=S(O)COCc1ncco1 b71c707929b25f1a04de0471f6526286 [0,0,0,0,0,1|3,0,0]=4 858 B11R1.172 O=[N+]([O-])CNCc1ccco1 1bde24eaa4ebc3eb0967458552eff194 [0,0,0,0,0,1|3,0,0]=4 859 B11R1.172 O=[N+]([O-])COCc1ccc[nH]1 b9af033ead5225b244ae6778d1be220e [0,0,0,0,0,1|3,0,0]=4 860 B11R1.172 O=[N+]([O-])COCc1ccco1 1718c557d4e70dcefef3e4f54a42672b [0,0,0,0,0,1|2,0,0]=3 861 B11R1.172 O=[N+]([O-])COCc1cccs1 a051c5c7ce8b7a6ed0168d08bbbf2def [0,0,0,0,0,1|2,1,0]=4 862 B11R1.172 O=[N+]([O-])COCc1ccno1 8f2498b7ea7d6318368ee1fdee7ad988 [0,0,0,0,0,1|3,0,0]=4 863 B11R1.172 O=[N+]([O-])COCc1cnco1 97db4c3f7beaecbcd17b6841c1b66aaf [0,0,0,0,0,1|3,0,0]=4 864 B11R1.172 O=[N+]([O-])COCc1ncco1 6c0339aa91a7b41ec10b0be9d68dd596 [0,0,0,0,0,1|3,0,0]=4 865 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [1,0,1,0,0,0|1,0,1]=4 866 B8R0.4 C=CCOCCOC=O cc4c0fa320870fe6d6f693a921558628 [1,0,1,0,0,0|0,0,2]=4 867 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [1,0,1,0,0,0|1,0,1]=4 868 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [1,0,1,0,0,0|0,0,2]=4 869 B8R0.7 C=CCOCNC(=O)C 9865141036101ac320553ca04e5ea416 [1,0,1,0,0,0|1,0,1]=4 870 B8R0.7 C=COCCNC(=O)C d3122f3ee5d15f554ff520f72b049913 [1,0,1,0,0,0|1,0,1]=4 871 B8R0.7 CC(=O)CNC/C=C\O 19a7672d1a67f2a1a9815025c4514fdd [1,0,1,0,0,0|1,0,1]=4 872 B8R0.9 C=CC(O)CNC(=O)C 81607a1da75c9494462df99b512c5607 [1,0,1,0,0,0|1,0,1]=4 873 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [2,0,0,0,0,0|0,0,1]=3 874 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [2,0,0,0,0,0|0,1,1]=4 875 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [2,0,0,0,0,0|1,0,1]=4 876 B8R1.8 O=CNc1cccs1 ba17c251fb0707a83067f3ecf6d1d996 [2,0,0,0,0,0|1,1,0]=4 877 B8R1.8 O=CNc1ccno1 aae61b9cd3ebc97474890d3f855206e4 [2,0,0,0,0,0|2,0,0]=4 878 B8R1.8 O=CNc1ncco1 6995c12eff18399819f86d155261d936 [2,0,0,0,0,0|2,0,0]=4 879 B10R0.4 C/C=C/C=C/COCC(=O)N 320e9bf93c685052ebe27861b5d3948a [0,1,1,0,0,0|2,0,0]=4 880 B10R0.4 C/C=C/C=C/COCC(=O)O a553b55e60655b04d7e2bf5b9e7b2cb3 [0,1,1,0,0,0|2,0,0]=4 881 B10R0.4 C/C=C/COCCOC(=O)C 37043bc53c0aaf22e9b90a68d7bf1ede [0,1,1,0,0,0|0,0,2]=4 882 B10R0.4 C/C=C\COCCOC(=O)C 3d6bd228a460563510e5a2ba2938b360 [0,1,1,0,0,0|0,0,2]=4 883 B10R0.4 C=C(C)COC/C=C/C=C/C 7bcd50f3297ee1245ae27ab41f34f3f9 [0,1,1,0,0,0|2,0,0]=4 884 B10R0.4 C=C(C)COCC=CC=CC 4ec9a8e697f6f6e35c57e6fcfcdec7ff [0,1,1,0,0,0|2,0,0]=4 885 B10R0.4 C=CCCOCCOC(=O)C 4112be8f1d3e2ad08c9d84e002955d25 [0,1,1,0,0,0|0,0,2]=4 886 B10R0.4 C=CCOCCCOC(=O)C 3445d02165d0afe4f532f9d41053c42f [0,1,1,0,0,0|0,0,2]=4 887 B10R0.4 C=CCOCCOCC(=O)C 813164ec7989bf6a4d34b30d54f02994 [0,1,1,0,0,0|0,0,2]=4 888 B10R0.4 CC(=O)OCCOC/C=C/Cl db64ee5bb5d256379ebd3b7d84aefdc5 [0,1,1,0,0,0|0,0,2]=4 889 B10R0.4 CC(=O)OCCOC/C=C\Cl 929de9272be8ec904ffb66a37cde0c3a [0,1,1,0,0,0|0,0,2]=4 890 B10R0.4 CC(=O)OCCOCC=CCl fe889bb0a253bb63394efe2018071c51 [0,1,1,0,0,0|0,0,2]=4 891 B10R0.4 CC(=O)OCOC/C=C/C=O 79a577fbd6b282e56df1105a2d4dc842 [0,1,1,0,0,0|0,0,2]=4 892 B10R0.4 CC=CC=CCOCC(=O)N 3300bafa0859e087d2a91edd8e7753ed [0,1,1,0,0,0|2,0,0]=4 893 B10R0.4 CC=CC=CCOCC(=O)O c52aa3fc2bbbc75c8a204a0b0c340fbd [0,1,1,0,0,0|2,0,0]=4 894 B10R0.4 CC=CCOCCOC(=O)C 6fb12999b7e186f9c5f68a1ab97dd044 [0,1,1,0,0,0|0,0,2]=4 895 B10R0.55 C=C(C=O)OCCOC(=O)C b431fa6f94a64badda38059c1e2b68dd [0,1,1,0,0,0|1,0,1]=4 896 B10R0.55 C=CC(C)OCCOC(=O)C 41b9d6ba751dbec423dbc94b447ead54 [0,1,1,0,0,0|0,0,2]=4 897 B10R0.55 C=C[C@H](C)OCCOC(=O)C ce33f5c576fe43ceefb99523e4fc2bd9 [0,1,1,0,0,0|0,0,2]=4 898 B10R0.74 C/C=C/C=C/COC(C)C=O cb95cbebab1378a8bb6b3588d4f762c9 [0,1,1,0,0,0|1,0,1]=4 899 B10R0.74 C/C=C/C=C/CO[C@H](C)C=O e6b8ba3806490e3dade392a086617d34 [0,1,1,0,0,0|1,0,1]=4 900 B10R0.74 C=CCOCCOC(=O)CC 2e7e6ea791520486a4468b3dc7280dcf [0,1,1,0,0,0|0,0,2]=4 901 B10R0.74 C=CCOCCOC(=O)OC 18c27afc3a61cf1a80947f6222ef7c23 [0,1,1,0,0,0|0,0,2]=4 902 B10R0.74 CC=CC=CCOC(C)C=O 33c846893ff1c21e5665d9fd389b4838 [0,1,1,0,0,0|1,0,1]=4 903 B10R0.74 CC=CC=CCO[C@H](C)C=O 05c3762cae3825dcd182b5ace734857b [0,1,1,0,0,0|1,0,1]=4 904 B10R0.78 C=CCOC(C)COC(=O)C a739a3bd4b5405b6f95000beb5790a4b [0,1,1,0,0,0|0,0,2]=4 905 B10R0.97 C=C(Br)COCCOC(=O)C b69ef208360cf0924a08b4231b89bdf7 [0,1,1,0,0,0|0,0,2]=4 906 B10R0.97 C=C(C)COCCOC(=O)C dcba996c100602dd47e6f573edd781b6 [0,1,1,0,0,0|0,0,2]=4 907 B10R0.97 C=C(Cl)COCCOC(=O)C fb12ff2e6244830967bc467c4ab2af02 [0,1,1,0,0,0|0,0,2]=4 908 B10R0.97 C=C(F)COCCOC(=O)C 2f89134916bf8938b6bac7f459de7ae9 [0,1,1,0,0,0|0,0,2]=4 909 B10R0.97 C=C(I)COCCOC(=O)C b5d2c463e04137cb852dd3c28a4f3e12 [0,1,1,0,0,0|0,0,2]=4 910 B10R0.108 C=COC(=O)COC(=C)C=O b499ae845fa07fe8dd4792aba6842180 [0,1,1,0,0,0|1,0,1]=4 911 B10R0.108 C=COC(=O)COC(C)C=O 996b614372403bb1f3715d8a877d1869 [0,1,1,0,0,0|1,0,1]=4 912 B10R1.11 CC(NC=O)c1ccco1 ddbe85663f32152ae7a905d80f70dce5 [1,1,0,0,0,0|1,0,0]=3 913 B10R1.11 CC(NC=O)c1cccs1 e140bba64e4c2e9bddbde06232ed8a5f [1,1,0,0,0,0|1,1,0]=4 914 B10R1.11 CC(NC=O)c1ncco1 8048fbe8a07781fd7bf6043c57ee8b10 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [1,1,0,0,0,0|1,0,1]=4 916 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [1,1,0,0,0,0|1,0,1]=4 917 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [1,1,0,0,0,0|1,0,1]=4 918 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [1,1,0,0,0,0|0,0,1]=3 919 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [1,1,0,0,0,0|0,1,1]=4 920 B10R1.11 CCOC(C)c1ncco1 7cec3e492c517a86e7c86f971db66cb7 [1,1,0,0,0,0|1,0,1]=4 921 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [1,1,0,0,0,0|0,1,1]=4 922 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [1,1,0,0,0,0|0,0,1]=3 923 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [1,1,0,0,0,0|0,1,1]=4 924 B10R1.11 C[C@@H](NC=O)c1ccco1 dabf68fc67919a7d4d3c16b33f054bdc [1,1,0,0,0,0|1,0,0]=3 925 B10R1.11 C[C@@H](NC=O)c1cccs1 f70bf3c872f03105dbd63b63dbb8840f [1,1,0,0,0,0|1,1,0]=4 926 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.11 C[C@H](NC=O)c1cccs1 4bb0ea6a6a82193677c759d4799a10ee [1,1,0,0,0,0|1,1,0]=4 928 B10R1.16 CCNCc1cc(co1)C 58c09494a030fd296b651bd5ed8df90b [1,1,0,0,0,0|1,0,1]=4 929 B10R1.16 CCNCc1ccc(o1)Br bc69cf8af8c6eedf459de13024a20023 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.16 CCNCc1ccc(o1)C 16b5b202870b0088f6ce61a25808ad7d [1,1,0,0,0,0|1,0,1]=4 931 B10R1.16 CCOCC1C=CC(=O)O1 3d114fda6fc7a21d274206eff0482ba4 [1,1,0,0,0,0|0,0,2]=4 932 B10R1.16 CCOC[C@@H]1C=CC(=O)O1 4a5383ca9bc98f8e8a857df0bb6a3aea [1,1,0,0,0,0|0,0,2]=4 933 B10R1.16 CCOCc1cc(co1)Br 488d484e666bbb5ae0db450dbc11796e [1,1,0,0,0,0|0,0,1]=3 934 B10R1.16 CCOCc1cc(cs1)Br 5c550eeaf146240dd4a6f311ffbdec3b [1,1,0,0,0,0|0,1,1]=4 935 B10R1.16 CCOCc1cc(cs1)C ef178c85c6f61e99838f3722990323ba [1,1,0,0,0,0|0,1,1]=4 936 B10R1.16 CCOCc1cc(cs1)Cl 19caaaf05436b8667c2172f188e1dcb4 [1,1,0,0,0,0|0,1,1]=4 937 B10R1.16 CCOCc1cc(no1)Br d73b5c9baf29613b5ffb4fd3f632422a [1,1,0,0,0,0|1,0,1]=4 938 B10R1.16 CCOCc1cc(no1)C 0ffb0f53dfc89e7a2fa99ab215248675 [1,1,0,0,0,0|1,0,1]=4 939 B10R1.16 CCOCc1ccc(o1)Br 9782731d1ae87bec8e3774d5ccde32bc [1,1,0,0,0,0|0,0,1]=3 940 B10R1.16 CCOCc1ccc(o1)C 7cf8410aa18fcbf976c33b2a6864e0bc [1,1,0,0,0,0|0,0,1]=3 941 B10R1.16 CCOCc1ccc(s1)C 740ed4a0b292010289640c9d52c76cdf [1,1,0,0,0,0|0,1,1]=4 942 B10R1.16 CCOCc1ccc(s1)Cl 273e39c7d162d5b650c0de66fd1919d8 [1,1,0,0,0,0|0,1,1]=4 943 B10R1.16 CCOCc1ccc(s1)F 2123043b331712dae23230fd8878861c [1,1,0,0,0,0|0,1,1]=4 944 B10R1.16 CCOCc1cnc(o1)C 2c0ad115b7737012f0b8e92cfb734642 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.16 CCOCc1nc(co1)Br 393f68cc0454364aa453e3f1aee599a5 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.16 CCOCc1ncc(o1)Br 7af10f46a26b39647fa554a9705a1204 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.16 Cc1cc(on1)CNC=O 7082a65cb2fd0a64ecea39512e6d2c4b [1,1,0,0,0,0|2,0,0]=4 948 B10R1.16 Cc1ccc(o1)CNC=O 02731b87228ef2993aa4f8004ecf0c06 [1,1,0,0,0,0|1,0,0]=3 949 B10R1.16 Cc1ccc(o1)COCF b0346ecdfb2d15ace5ee263215c686ed [1,1,0,0,0,0|1,0,1]=4 950 B10R1.16 Cc1ccc(s1)CNC=O fc6468575008e634f5c5946401a36ed1 [1,1,0,0,0,0|1,1,0]=4 951 B10R1.16 Cc1cnc(o1)CNC=O f7b0625438ac26ada645342eaa0f99c5 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.16 Cc1coc(c1)CNC=O 314a057a6471b418ab58d9c60bd4c733 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.16 Cc1coc(n1)CNC=O a760e55a2923bab45dbb87f6cd85c646 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.16 Cc1csc(c1)CNC=O aea632179bec77ae7bed276c7bfa4320 [1,1,0,0,0,0|1,1,0]=4 955 B10R1.16 Cc1ncc(o1)CNC=O 574700874a763c6bca5c22d37610c2de [1,1,0,0,0,0|2,0,0]=4 956 B10R1.16 FCOCc1cc(co1)Br 144482be31b09c80ca450d7ade103929 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.16 FCOCc1ccc(o1)Br d573f665c7a18d34b7805e178956ebed [1,1,0,0,0,0|1,0,1]=4 958 B10R1.16 O=CNCc1cc(cs1)Br eb3763ce56665106c55c60edd6aff943 [1,1,0,0,0,0|1,1,0]=4 959 B10R1.16 O=CNCc1cc(cs1)Cl 55d0ce3a1de8798584f986d8ace121af [1,1,0,0,0,0|1,1,0]=4 960 B10R1.16 O=CNCc1cc(no1)Br 5e75aedcf33ffd9b98c28e1482334e0e [1,1,0,0,0,0|2,0,0]=4 961 B10R1.16 O=CNCc1ccc(o1)Br 757e0e439181d815d74ee7edde717301 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.16 O=CNCc1ccc(s1)Br 6d558d768515f9ea2d6134d57133a8dd [1,1,0,0,0,0|1,1,0]=4 963 B10R1.16 O=CNCc1ccc(s1)Cl f3b25be17f4504a4a45886eb369c45ef [1,1,0,0,0,0|1,1,0]=4 964 B10R1.16 O=CNCc1ccc(s1)F f9e754f12ea44d05bb249ef27e9efe9e [1,1,0,0,0,0|1,1,0]=4 965 B10R1.16 O=CNCc1ncc(o1)Br 389cfec1ee945bd3db9e0cc903f9ce9d [1,1,0,0,0,0|2,0,0]=4 966 B10R1.21 BrCCNCc1ccco1 8c5e0347db7e3491c86fcbf95c4451a4 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.21 C#CCOCc1ccco1 5944738cf231c28e977cbf2d03b15b1c [1,1,0,0,0,0|0,0,2]=4 968 B10R1.21 C/C=C/CNc1cccs1 ab1bac522f2802f13389e7bc621b424e [1,1,0,0,0,0|1,1,0]=4 969 B10R1.21 C/C=C/CNc1ccno1 23139f6cd18f91f89a39b2616a8415ac [1,1,0,0,0,0|2,0,0]=4 970 B10R1.21 C/C=C/CNc1ncco1 a99b04d5727f3394e742350dcd2a43dc [1,1,0,0,0,0|2,0,0]=4 971 B10R1.21 C/C=C/COc1ccco1 49607601c603ccca16018edf0f4cebb7 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.21 C/C=C/COc1cccs1 6c0f88620d8d632f9895acdbb7bf8cde [1,1,0,0,0,0|1,1,0]=4 973 B10R1.21 C/C=C\CNc1cccs1 539500d96ef7d01796d073eba3a04290 [1,1,0,0,0,0|1,1,0]=4 974 B10R1.21 C/C=C\CNc1ccno1 0a7b9035f3f70a6a87e981bbd3d2529a [1,1,0,0,0,0|2,0,0]=4 975 B10R1.21 C/C=C\CNc1ncco1 b9794d08e5e8c44ca000e5fbc54ce017 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.21 C/C=C\COc1ccco1 081cefe6a82f756391efccda3cbbafc4 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.21 C/C=C\COc1cccs1 35e222574ca63276b07811b3cc3d7e9e [1,1,0,0,0,0|1,1,0]=4 978 B10R1.21 C=CCCNc1ccco1 2dc99c635e0fd320f4473dac533cdebc [1,1,0,0,0,0|1,0,1]=4 979 B10R1.21 C=CCCOc1ccco1 c4a6b7713487c646ea5190de2827309c [1,1,0,0,0,0|1,0,1]=4 980 B10R1.21 C=CCNCc1ccco1 9569a46dbd5a5ad2155580854b10270e [1,1,0,0,0,0|1,0,1]=4 981 B10R1.21 C=CCOCc1ccc[nH]1 ffe6cf4574afcacd3224839cabcff224 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.21 C=CCOCc1ccco1 21d0bb8c5631652a2d6e9c845ea783ac [1,1,0,0,0,0|0,0,1]=3 983 B10R1.21 C=CCOCc1cccs1 901333cab4ee1e0e45256b54446cfe89 [1,1,0,0,0,0|0,1,1]=4 984 B10R1.21 C=CCOCc1ccno1 78c98067b2e44fbcd6ebc84d552072f2 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.21 C=CCOCc1cnco1 a95eb00ccbc3c3f5b174d223b8e5d13d [1,1,0,0,0,0|1,0,1]=4 986 B10R1.21 C=CCOCc1ncco1 32f9b5e6b015a12dc8af731bbcc8130f [1,1,0,0,0,0|1,0,1]=4 987 B10R1.21 CC=CCNc1ccco1 8978ca9f1a5aa01b20c5fc0ef6bef405 [1,1,0,0,0,0|1,0,0]=3 988 B10R1.21 CC=CCNc1cccs1 73f844b5dcd117551bcb6a9fa79f218f [1,1,0,0,0,0|1,1,0]=4 989 B10R1.21 CC=CCNc1ccno1 b259316349da6e678220bcedfbe14088 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.21 CC=CCNc1ncco1 460da12e3f54d1c642f3bcff6f684f1d [1,1,0,0,0,0|2,0,0]=4 991 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [1,1,0,0,0,0|1,0,1]=4 992 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [1,1,0,0,0,0|1,0,1]=4 993 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [1,1,0,0,0,0|1,0,1]=4 994 B10R1.21 CCCOCc1ccc[nH]1 cd7c6439400e4582d3103a4de108225f [1,1,0,0,0,0|1,0,1]=4 995 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [1,1,0,0,0,0|0,0,1]=3 996 B10R1.21 CCCOCc1cccs1 a6f03adf2a826c0d56d546cb620a5207 [1,1,0,0,0,0|0,1,1]=4 997 B10R1.21 CCCOCc1ccno1 870c1a0078df086a024012effc01a45b [1,1,0,0,0,0|1,0,1]=4 998 B10R1.21 CCCOCc1cnco1 9d46dd82e2c335d0dac1e9a70ff331b6 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.21 CCCOCc1ncco1 71ad9c831053756f6e2d91b3d3cccbb9 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [1,1,0,0,0,0|1,0,1]=4 1001 B10R1.21 CCOCCc1ccc[nH]1 8ef61c623e3daff29562378e78c2e3e6 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [1,1,0,0,0,0|0,0,1]=3 1003 B10R1.21 CCOCCc1cccs1 acaaec43fbd0c8ea9b4724789b403b3c [1,1,0,0,0,0|0,1,1]=4 1004 B10R1.21 CCOCNc1cccs1 fdc9729af7149ad96898b9c1e1995195 [1,1,0,0,0,0|0,1,1]=4 1005 B10R1.21 CCOCNc1ccno1 529b44871c8dfd34bf68b0175f50e619 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.21 CCOCNc1ncco1 250f1feeca8dbd10b67fead60ad657bd [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.21 CCOCOc1ccco1 50027f11f0ebc3bb1d65662891127453 [1,1,0,0,0,0|0,0,1]=3 1008 B10R1.21 CCOCOc1cccs1 f1905e8f0a82ed892bc2c970faf9dff2 [1,1,0,0,0,0|0,1,1]=4 1009 B10R1.21 COCCNc1ccco1 6446037fd2435f1d5d632a2ea17e6335 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.21 COCCOc1ccco1 7edab0eeb45cb66520c905082a1511e1 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.21 COCNCc1ccco1 ab0a134b649505be2ef4a9f4f282a23e [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.21 COCOCc1ccc[nH]1 8602fb3b96d0845f62a61e91c638d526 [1,1,0,0,0,0|1,0,1]=4 1013 B10R1.21 COCOCc1ccco1 529eee71e246af8b856ae502514aa81f [1,1,0,0,0,0|0,0,1]=3 1014 B10R1.21 COCOCc1cccs1 8035084dd952e2619b91998ee1e10055 [1,1,0,0,0,0|0,1,1]=4 1015 B10R1.21 COCOCc1ccno1 ff01a1e4f50dfacf1f2eb0f4413c32ac [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.21 COCOCc1cnco1 c11598e267d02c4916b65bfc27609cc0 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.21 COCOCc1ncco1 17bdc640c34efccfe1e90b9530eec152 [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.21 CSCCNc1ccco1 16997d2db32ec42d1356855cff785f3f [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.21 CSCCOc1ccco1 5259ce914bbcf53da4292d4e69a6b1eb [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.21 CSCNCc1ccco1 45b3d80d16b3c23ee837399e5f9cf973 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.21 CSCOCc1ccc[nH]1 227018605e900994ca4503decc33cb19 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.21 CSCOCc1ccco1 d82d2c3aff1c65cd9f5801d7e0281663 [1,1,0,0,0,0|0,0,1]=3 1023 B10R1.21 CSCOCc1cccs1 3cff4a60d95ea1637015dd5821e001bd [1,1,0,0,0,0|0,1,1]=4 1024 B10R1.21 CSCOCc1ccno1 df28b76a5605dd2e2e9c9583c86775eb [1,1,0,0,0,0|1,0,1]=4 1025 B10R1.21 CSCOCc1cnco1 7db2db0ff683405c7e81c02a0619ae5b [1,1,0,0,0,0|1,0,1]=4 1026 B10R1.21 CSCOCc1ncco1 ef5ebceba7bbc1aea597ff0fe4b673ab [1,1,0,0,0,0|1,0,1]=4 1027 B10R1.21 Cl/C=C/COc1ccco1 7aa32b0722c0c4f5075fd40cec978e4a [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.21 Cl/C=C\COc1ccco1 2678d6483afee8d91d4111c377d90626 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.21 FCCNCc1ccco1 eb7e2df8659dc52d8124585605ffbbe6 [1,1,0,0,0,0|1,0,1]=4 1030 B10R1.21 FCCOCc1ccc[nH]1 ae4bdf41a693ab4b17eedd9a1b3e71bd [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.21 FCCOCc1ccco1 967242227467dd8667ea4ec0e6be7d8a [1,1,0,0,0,0|0,0,1]=3 1032 B10R1.21 FCCOCc1cccs1 89e5f151596724dfb35cbde55e473498 [1,1,0,0,0,0|0,1,1]=4 1033 B10R1.21 FCCOCc1ccno1 7aeca3bf619803091648308b17afb171 [1,1,0,0,0,0|1,0,1]=4 1034 B10R1.21 FCCOCc1cnco1 f154df94fcccf40835580120af5630af [1,1,0,0,0,0|1,0,1]=4 1035 B10R1.21 FCCOCc1ncco1 d6ca61277cdf8d6c1646c155d3d4d654 [1,1,0,0,0,0|1,0,1]=4 1036 B10R1.21 FCNCCc1ccco1 c274e2fe40f74a5250d921378d833f9d [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.21 FCOCCc1ccco1 b932bcc9cfe884b19a450cd3b0242ac1 [1,1,0,0,0,0|1,0,1]=4 1038 B10R1.21 ICCNCc1ccco1 bd983b5b71179f97af0b655fa1b40bbd [1,1,0,0,0,0|1,0,1]=4 1039 B10R1.21 N#CCOCc1ccco1 dea65f4f4bafd731280ce3cf86ce28bd [1,1,0,0,0,0|0,0,2]=4 1040 B10R1.21 O=CCCNc1cccs1 cf723f42f768b24ec42d1757ae280dc8 [1,1,0,0,0,0|1,1,0]=4 1041 B10R1.21 O=CCCNc1ccno1 7a88fe355d2a534b4fd46df3f5808c55 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.21 O=CCCNc1ncco1 fb776ff68a458fb64c5ac0d805cf09aa [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.21 O=CCCOc1ccco1 29d0eddc230514e8e3bb8cacc9923f78 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.21 O=CCCOc1cccs1 3c97730eeb94cffc869f74e9b437863e [1,1,0,0,0,0|1,1,0]=4 1045 B10R1.21 O=CCNCc1ccc[nH]1 639a18cc5e97b07de5adf524490bad82 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.21 O=CCNCc1ccco1 0ab8a1ebd15283db8f5f3f17ac902f12 [1,1,0,0,0,0|1,0,0]=3 1047 B10R1.21 O=CCNCc1cccs1 e94becbb6eb95ee69efd16aa47a4093c [1,1,0,0,0,0|1,1,0]=4 1048 B10R1.21 O=CCNCc1ccno1 978aadcc6e01f87e8d8afb3f9e75e90e [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.21 O=CCNCc1cnco1 58a57fef6fc554af7226549b91166623 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.21 O=CCNCc1ncco1 ac49783ef77ca87adf8287f4ded3f0f6 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.21 O=CCOCc1cc[nH]c1 efe8feb7746260a5e0774b30b9119620 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.21 O=CCOCc1ccc[nH]1 97ffcf32763fc9745266acd768ec8a83 [1,1,0,0,0,0|1,0,0]=3 1053 B10R1.21 O=CCOCc1ccco1 22e3ccbc249d54fc00073a07f33cc6b4 [1,1,0,0,0,0|0,0,0]=2 1054 B10R1.21 O=CCOCc1cccs1 f2a935b74a2608083c2a4099d7794c24 [1,1,0,0,0,0|0,1,0]=3 1055 B10R1.21 O=CCOCc1ccn[nH]1 99ffbad02f11b7276756fb38e2d8eb47 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.21 O=CCOCc1ccno1 fe1747df203186af0b56d5e33facdf5e [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.21 O=CCOCc1ccns1 23738c52312c278c1c5c85f57fb0534f [1,1,0,0,0,0|1,1,0]=4 1058 B10R1.21 O=CCOCc1ccoc1 419ffb39b39f5ed040a5ef11e54016e6 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.21 O=CCOCc1ccon1 942fcb84e7fd908f79f1e205b6bf8fd1 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.21 O=CCOCc1ccsc1 4760773b2223f950ce80a9a7109a6734 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.21 O=CCOCc1ccsn1 de329a16956d11b8a774c9083cdce2e6 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.21 O=CCOCc1cnc[nH]1 85cadd5fdf28a3200a9f7f485325beec [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.21 O=CCOCc1cnco1 615a5c95d412eed9adf2d90d072cfb2e [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.21 O=CCOCc1cncs1 4008b9560147db35610e6a95ebd04fcc [1,1,0,0,0,0|1,1,0]=4 1065 B10R1.21 O=CCOCc1cocn1 e8353df610be40777c8824242f8ab0c2 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.21 O=CCOCc1cscn1 eb1d18581e17760c4af776097ce46c7d [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.21 O=CCOCc1ncc[nH]1 035fcf20392bfcf322c740f38023aac5 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.21 O=CCOCc1ncco1 50c7923fde7502fbf1b355e2a11c9baa [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.21 O=CCOCc1nccs1 0eb380228acca2ace6bcbf77afa7ea6e [1,1,0,0,0,0|1,1,0]=4 1070 B10R1.21 O=CCOCc1ncno1 1da1cfb506111bc09c4fb835973f1f50 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.21 O=CCOCc1nnco1 245b24d5ea1a6b2e67d39d32bcb75f67 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.21 O=CCOCn1cccn1 4b4c4790bd57aa2aad396efb2f7a6dff [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.21 O=CNCCc1ccco1 0b737060dc1ee55a5f0568ed4921621c [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.21 O=CNCCc1cccs1 fd1222ac3d0e2b6ccbfd32e31af9a8d7 [1,1,0,0,0,0|1,1,0]=4 1075 B10R1.21 OCCNCc1ccco1 507ba03e75d5eda37d046de9368bba24 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.21 OCNCCc1ccco1 a517e208412caca7f657ad953f1e4b62 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.21 SCCNCc1ccco1 4422157518229a6c95ffdca9589320be [1,1,0,0,0,0|1,0,1]=4 1078 B10R1.21 SCCOCc1ccc[nH]1 4f192c4e8c3ebd7c553bf2c300880016 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.21 SCCOCc1ccco1 eb21d9a30652a8f888082605ebcb92a4 [1,1,0,0,0,0|0,0,1]=3 1080 B10R1.21 SCCOCc1cccs1 19c807d132dc7313aa96049bd57665ef [1,1,0,0,0,0|0,1,1]=4 1081 B10R1.21 SCCOCc1ccno1 96419b38b39b0e9e46cacee0b0f59903 [1,1,0,0,0,0|1,0,1]=4 1082 B10R1.21 SCCOCc1cnco1 ba11c463294bf9f59e25d6ef4c6b02ec [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.21 SCCOCc1ncco1 4a4b5a156c050c2a7f702bc2b03448f2 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.27 CC(C=O)Oc1ccco1 135f5d833c8d42c9644f16e573ebe678 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [1,1,0,0,0,0|1,0,1]=4 1086 B10R1.27 CN(C=O)Cc1ccco1 717a7d8b3764ff0b3e1e4cf00cb53e3a [1,1,0,0,0,0|1,0,0]=3 1087 B10R1.27 CN(C=O)Cc1cccs1 bb1b0a7ece4111e21fe8be693bcf2f97 [1,1,0,0,0,0|1,1,0]=4 1088 B10R1.27 CN(C=O)Cc1ccno1 5309846741912f9b401b128276b0f0ea [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.27 CN(C=O)Cc1ncco1 a258d8c0a11315bda756d073815db626 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.27 C[C@H](C=O)Oc1ccco1 5bdca6620ba06d658d5ddbf85a11061b [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.29 CCNCc1occc1C 9ef238004378a81a0f74d5a2034266a3 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.29 CCOCc1cccn1C 2d386258374afb1495708506babe71b0 [1,1,0,0,0,0|1,0,1]=4 1093 B10R1.29 CCOCc1occc1Br 091ac4b360c592cc4f7db4a049ac0a99 [1,1,0,0,0,0|0,0,1]=3 1094 B10R1.29 CCOCc1occc1C e7df444d3db70c6d7ce1aeb39d71e1ae [1,1,0,0,0,0|0,0,1]=3 1095 B10R1.29 CCOCc1ocnc1C f1dadf16dcac5a44fda51d454c25e0ef [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.29 CCOCc1oncc1C 87c8fc5b2cb8cd05938ef66a5fbe1201 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.29 CCOCc1sccc1C 928528f7c346be07c81d918139c5ea3e [1,1,0,0,0,0|0,1,1]=4 1098 B10R1.29 CCOCc1sccc1Cl f1a6b399714310adf358afa7a2f0e9d6 [1,1,0,0,0,0|0,1,1]=4 1099 B10R1.29 CCOCc1sccc1F c318c2baa23b667c6c94321ee13cd20c [1,1,0,0,0,0|0,1,1]=4 1100 B10R1.29 Cc1ccoc1CNC=O 4166e7e09b9e12df33d142c718b4889d [1,1,0,0,0,0|1,0,0]=3 1101 B10R1.29 Cc1ccoc1COCF 1d5154e89e1774674d960ff6e2f2ac51 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.29 Cn1cccc1CNC=O fb3ffbb884b532b761168b56dd024e12 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.29 FCOCc1occc1Br 93c65175419fdd74eebea6c5507f73d0 [1,1,0,0,0,0|1,0,1]=4 1104 B10R1.29 O=CNCc1sccc1Br e38710cbe1bd705ddd8bc8db1c12e2d2 [1,1,0,0,0,0|1,1,0]=4 1105 B10R1.29 O=CNCc1sccc1Cl 8cafc98a5f0f80157215a91f362a6b71 [1,1,0,0,0,0|1,1,0]=4 1106 B10R1.29 O=CNCc1sccc1F 8710ae4ea4c5b20e527185f18c874709 [1,1,0,0,0,0|1,1,0]=4 1107 B10R1.23 CC(=O)N(C)c1ncco1 fbef3ee7d925bf7234b315644b4968be [0,1,0,0,1,0|2,0,0]=4 1108 B10R1.54 CC(=O)Nc1cnc(o1)C abc73c25d4867826ef3bfc13f8c7316c [0,1,0,0,1,0|2,0,0]=4 1109 B10R1.54 CC(=O)Nc1nc(co1)Br 87a95faa6723d91bdd0802718ae9b1f4 [0,1,0,0,1,0|2,0,0]=4 1110 B10R1.54 CC(=O)Nc1nc(co1)C 57a302d71eb45e267d8631f9449ec3ea [0,1,0,0,1,0|2,0,0]=4 1111 B10R1.54 CC(=O)Nc1ncc(o1)C bf46992bdf79173921a665869350e14e [0,1,0,0,1,0|2,0,0]=4 1112 B12R1.21 CC(=O)NCc1ccc(cc1)Br d2cc47a2d2f5d0454a6ab6aa9be01b2e [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.21 CC(=O)NCc1ccc(cc1)C 6d1c8fe2cbf40141f0ff7216820c0ba5 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 932ef7783d78c6800f8298437d4b88f9 [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.21 CC(=O)NCc1ccc(cc1)F c15fb7f7daa1d8d13002cf39462c9e3a [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.21 CC(=O)NCc1ccc(cc1)I 638cbc421d0f9cd22ecaa35e0d864cbc [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.21 CC(=O)NCc1ccc(cc1)O 3eb259396d79ab6b5f53bb6ff52007c0 [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.21 CC(=O)NCc1ccc(cn1)Br fb8f8537a7bbf570a19dea4d0aa6d18d [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.21 CC(=O)NCc1ccc(cn1)C f38c03df8524acc05ebff836b6a5b5af [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 6a011978ddf38308f5a5156573588194 [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.21 CC(=O)NCc1ccc(cn1)F d40665011432ddf8f16403b67189332a [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.21 CC(=O)NCc1ccc(cn1)O 7406aaf103c654960018dd961b73cac8 [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.21 CC(=O)NCc1ccc(nc1)Br e9dbeda635f5ea81b0bda7268917134d [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.21 CC(=O)NCc1ccc(nc1)C c7de52d9e18c5b5eeea94a97977c5605 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 9eb33223753c16aea396f97336de070d [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.21 CC(=O)NCc1ccc(nc1)F 6b7a55dd10ce9ac95968778b4ef6141e [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.21 CC(=O)NCc1ccc(nn1)C 126f8bc204361b9e2ba4cd218910ca56 [0,1,0,0,0,1|2,0,0]=4 1128 B12R1.21 CC(=O)NCc1ccc(nn1)Cl 769ca8d45bf456633fafe46f4250b9cc [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.21 CC(=O)NCc1cnc(cn1)Br 0a50bed155535c3b42c62354503d907d [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.21 CC(=O)NCc1cnc(cn1)C 2db0c3663a53bfb93147d716c0023ecf [0,1,0,0,0,1|2,0,0]=4 1131 B12R1.21 CC(=O)NCc1cnc(cn1)Cl 37ec05e031949654ec9c13a99e5ba82d [0,1,0,0,0,1|2,0,0]=4 1132 B12R1.21 CC(=O)NCc1ncc(cn1)Br 5de20d9d7db31824cad73060813aa927 [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.21 CC(=O)NCc1ncc(cn1)C 5009afd58a5769b99ccbbfeaafb2b5fd [0,1,0,0,0,1|2,0,0]=4 1134 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 9b40a84b699d8ea060a3ddfaaa7d0ee2 [0,1,0,0,0,1|2,0,0]=4 1135 B12R1.21 CC(=O)NCc1ncc(cn1)F 52e18490adc22983753294c1dc70bd1a [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.27 C=C(C=O)OCc1ccccc1 d9facb3ea82832fcb2b7bb0a7ba08bec [0,1,0,0,0,1|1,0,1]=4 1137 B12R1.27 C=C(C=O)OCc1ccccn1 26ce444ea85afa28659019f80e2537e4 [0,1,0,0,0,1|1,0,1]=4 1138 B12R1.27 C=C(C=O)OCc1cccnc1 16086c3b58bc49f9cd702f42afd70701 [0,1,0,0,0,1|1,0,1]=4 1139 B12R1.27 C=C(C=O)OCc1cccnn1 19615371994d2eabe80af789d6ec65d7 [0,1,0,0,0,1|1,0,1]=4 1140 B12R1.27 C=C(C=O)OCc1ccncn1 12a012fe697b53cf3cddc0061a6d53d9 [0,1,0,0,0,1|1,0,1]=4 1141 B12R1.27 C=C(C=O)OCc1ncccn1 111cc422064eca0a0667e08e009eb2fa [0,1,0,0,0,1|1,0,1]=4 1142 B12R1.27 CC(C=O)OCc1ccccc1 dab13d83530825bb9c7bbbb7bc6908d9 [0,1,0,0,0,1|1,0,1]=4 1143 B12R1.27 CC(C=O)OCc1ccccn1 1cd8eadb46df6e59cb4a04a39c1e77c7 [0,1,0,0,0,1|1,0,1]=4 1144 B12R1.27 CC(C=O)OCc1cccnc1 51ede6b99e44af095a1dfaa30f3ea80e [0,1,0,0,0,1|1,0,1]=4 1145 B12R1.27 CC(C=O)OCc1cccnn1 21123c033370273565f926229effccf6 [0,1,0,0,0,1|1,0,1]=4 1146 B12R1.27 CC(C=O)OCc1ccncc1 82db9291823d6d4efb135b517d9dc049 [0,1,0,0,0,1|1,0,1]=4 1147 B12R1.27 CC(C=O)OCc1ccncn1 cdca3498916abcc66b90440aaa61702e [0,1,0,0,0,1|1,0,1]=4 1148 B12R1.27 CC(C=O)OCc1cnccn1 a6bf276b7123bc8a9730bc60a4ba9730 [0,1,0,0,0,1|1,0,1]=4 1149 B12R1.27 CC(C=O)OCc1ncccn1 c686780fab0ce6d674d8f8b5fbbc06e9 [0,1,0,0,0,1|1,0,1]=4 1150 B12R1.27 CCC(=O)NCc1ccccc1 cd109163e80059e2763660343f9dbe36 [0,1,0,0,0,1|2,0,0]=4 1151 B12R1.27 CCC(=O)NCc1ccccn1 8feeaaa17ff0b8e92392e088c3f6feb2 [0,1,0,0,0,1|2,0,0]=4 1152 B12R1.27 CCC(=O)NCc1cccnc1 163349dbb40d7f18c251a823056c2629 [0,1,0,0,0,1|2,0,0]=4 1153 B12R1.27 CCC(=O)NCc1cccnn1 1483b94e7eca014cbe2ad2c78a20b994 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.27 CCC(=O)NCc1ccncc1 144e26626888e38f930efdfdcacd3026 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.27 CCC(=O)NCc1ccncn1 88b81439885ea8cff5a8958cb1bb43ac [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.27 CCC(=O)NCc1cnccn1 9cdf4761dd5db2a2596b884b42c64499 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.27 CCC(=O)NCc1ncccn1 d392902d20140819a273d44b32cc0be2 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.27 C[C@H](C=O)OCc1ccccc1 d71860644cbe1541da13b3966902f7f7 [0,1,0,0,0,1|1,0,1]=4 1159 B12R1.27 C[C@H](C=O)OCc1ccccn1 77e036a149c9b895f58a4f79f65d470f [0,1,0,0,0,1|1,0,1]=4 1160 B12R1.27 C[C@H](C=O)OCc1cccnc1 56d6eb81a4dd63eb667314ef58479328 [0,1,0,0,0,1|1,0,1]=4 1161 B12R1.27 C[C@H](C=O)OCc1cccnn1 65266623877ef171e93c3c92f1781a12 [0,1,0,0,0,1|1,0,1]=4 1162 B12R1.27 C[C@H](C=O)OCc1ccncc1 4516527db7ccfbd7ba68d2eb1b2efd9c [0,1,0,0,0,1|1,0,1]=4 1163 B12R1.27 C[C@H](C=O)OCc1ccncn1 9cfb53ab0921ae94da9c12afa06e5666 [0,1,0,0,0,1|1,0,1]=4 1164 B12R1.27 C[C@H](C=O)OCc1cnccn1 a1de2c21d85cbf557f40a4ba5e6a0c0d [0,1,0,0,0,1|1,0,1]=4 1165 B12R1.27 C[C@H](C=O)OCc1ncccn1 4e06b65e0320c112989734747d3db285 [0,1,0,0,0,1|1,0,1]=4 1166 B12R1.27 O=C(CF)NCc1ccccc1 44d0634b73cc2a3134198abb702adc32 [0,1,0,0,0,1|2,0,0]=4 1167 B12R1.27 O=C(CF)NCc1ccccn1 4c7b5fbb214e22648f8c87757a037fe0 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.27 O=C(CF)NCc1cccnc1 55aee9f781bad42df720fff04950da75 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.27 O=C(CF)NCc1cccnn1 8fed459d5a1b68a9653d79ba21836e42 [0,1,0,0,0,1|2,0,0]=4 1170 B12R1.27 O=C(CF)NCc1ccncc1 3f91363ab12717dc7294b05ffdae271f [0,1,0,0,0,1|2,0,0]=4 1171 B12R1.27 O=C(CF)NCc1ccncn1 f0cdcc921b9f28a34d6b78cc1aea3317 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.27 O=C(CF)NCc1cnccn1 ec30b0474ceeace2bea86f7a86e3a5ae [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.27 O=C(CF)NCc1ncccn1 435949e5c6b4548aef56b5f8d58b51a4 [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.27 O=C(CO)NCc1ccccc1 f4f787a5214848c6970058ebdb73c876 [0,1,0,0,0,1|2,0,0]=4 1175 B12R1.27 O=C(CO)NCc1ccccn1 76eb78e75930ec6892869074780cca40 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.27 O=C(CO)NCc1cccnc1 accc53643db8ccf06656b79e4c302034 [0,1,0,0,0,1|2,0,0]=4 1177 B12R1.27 O=C(CO)NCc1cccnn1 c7af8776b37791b5de368b369197b739 [0,1,0,0,0,1|2,0,0]=4 1178 B12R1.27 O=C(CO)NCc1ccncc1 e6e3500e223e964fc174f8ea1c4cb0cf [0,1,0,0,0,1|2,0,0]=4 1179 B12R1.27 O=C(CO)NCc1ccncn1 05dd953bad7485a3c413d234f7d9ba89 [0,1,0,0,0,1|2,0,0]=4 1180 B12R1.27 O=C(CO)NCc1cnccn1 1f35d793bce8f5fd30db171aa631f8f9 [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.27 O=C(CO)NCc1ncccn1 4206f48fceeee3fa8734c80623676221 [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.27 O=C(CS)NCc1ccccc1 f91da9c658c39a4f0c257ce61b60a1a7 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.27 O=C(CS)NCc1ccccn1 ae765a2702e1ea1d8d048ef10891fe36 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.27 O=C(CS)NCc1cccnc1 5a5dc7c7f2b3649e173a6d2509493bc1 [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.27 O=C(CS)NCc1cccnn1 f57cabc18b2a07573ee8005ba9b8f995 [0,1,0,0,0,1|2,0,0]=4 1186 B12R1.27 O=C(CS)NCc1ccncc1 3c01785cc067c5560ab97b77c8bba642 [0,1,0,0,0,1|2,0,0]=4 1187 B12R1.27 O=C(CS)NCc1ccncn1 9b8c12c7209e60fdfd511bdf28f0b540 [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.27 O=C(CS)NCc1cnccn1 b2cdea1ec8c3ff1ebae91af81c0a9007 [0,1,0,0,0,1|2,0,0]=4 1189 B12R1.27 O=C(CS)NCc1ncccn1 c0ccffbb5ee2913398d86e568ddd7a4a [0,1,0,0,0,1|2,0,0]=4 1190 B12R1.43 CC(=O)N(C)Cc1ccccc1 b985bf2c7484ae6a34647301b4683566 [0,1,0,0,0,1|2,0,0]=4 1191 B12R1.43 CC(=O)N(C)Cc1ccccn1 c450d3ea04b8e825f53753140b07d344 [0,1,0,0,0,1|2,0,0]=4 1192 B12R1.43 CC(=O)N(C)Cc1cccnc1 68d654439a46d431d82ead819a36e573 [0,1,0,0,0,1|2,0,0]=4 1193 B12R1.43 CC(=O)N(C)Cc1ccncc1 e53a41aba747eca10244f4b7246f4b7f [0,1,0,0,0,1|2,0,0]=4 1194 B12R1.43 CC(=O)N(C)Cc1cnccn1 ad3593576626ba490508690e5f561bbc [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.43 CC(=O)N(C)Cc1ncccn1 a92c15c01ec5982dd664d8d452fe8fb9 [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.107 CC(=O)NC(C)c1ccccc1 5ac270090224b04d6e18bd0f40247bab [0,1,0,0,0,1|2,0,0]=4 1197 B12R1.107 CC(=O)NC(C)c1ccccn1 9f2410e3ed5d3dedf6c6d0d1d301442e [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.107 CC(=O)NC(C)c1cccnc1 bd3e42a6def30cb8723774fd29dfd160 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.107 CC(=O)NC(C)c1cccnn1 b8f763e9ee4414149953894acde2afa1 [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.107 CC(=O)NC(C)c1ccncc1 c0286e2a14d5d3a09435b90d3ea8035c [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.107 CC(=O)NC(C)c1ccncn1 cdfc6bb21fcff83f8836cc0ffa0e98f6 [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.107 CC(=O)NC(C)c1cnccn1 a09cd08937deccf4150a561bb950c630 [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.107 CC(=O)NC(C)c1ncccn1 f401c9d566dbf6e6bc556727bef0eb8f [0,1,0,0,0,1|2,0,0]=4 1204 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 83a412c49d00ac7737895652e0438906 [0,1,0,0,0,1|2,0,0]=4 1205 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 bbfb864aee062a617392dbd043149f2d [0,1,0,0,0,1|2,0,0]=4 1206 B12R1.107 CC(=O)N[C@@H](C)c1cccnc1 053abbdf2a9a3a050db980212be86e97 [0,1,0,0,0,1|2,0,0]=4 1207 B12R1.107 CC(=O)N[C@@H](C)c1ccncc1 e6d5d6c9d8ffc57e06bb54ddb1f511e9 [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 6af9f7af8ede42291806b12f353a29c9 [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 c6420d1df4c62b07acb66dd07c94413a [0,1,0,0,0,1|2,0,0]=4 1210 B12R1.107 CC(=O)N[C@H](C)c1cccnc1 6f5e2b5e5c3e848b6c8230b33688a8e9 [0,1,0,0,0,1|2,0,0]=4 1211 B12R1.107 CC(=O)N[C@H](C)c1ccncc1 434ca703e8c14bed1fd8b31e47f0d354 [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.125 CC(=O)NCc1cccc[n+]1[O-] adc678d961e957320b6e327b1fdff9ab [0,1,0,0,0,1|2,0,0]=4 1213 B12R1.125 CC(=O)NCc1ccccc1Br c47d1b381faeb3750f6d77f8a6825780 [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.125 CC(=O)NCc1ccccc1C 878373bfe1c9994e38f6b300a4c7508f [0,1,0,0,0,1|2,0,0]=4 1215 B12R1.125 CC(=O)NCc1ccccc1Cl b19ee0daad189de3f536de6cee918157 [0,1,0,0,0,1|2,0,0]=4 1216 B12R1.125 CC(=O)NCc1ccccc1F 7cb30f4a5a9e7b6ebe7ffa0ec755e5d6 [0,1,0,0,0,1|2,0,0]=4 1217 B12R1.125 CC(=O)NCc1ccccc1I 3fdc9f6ca170895ba3e43a993004cbe3 [0,1,0,0,0,1|2,0,0]=4 1218 B12R1.125 CC(=O)NCc1ccccc1O 0586c5299a3d61253924ffc29f47c091 [0,1,0,0,0,1|2,0,0]=4 1219 B12R1.125 CC(=O)NCc1cccnc1Br 62f6e20039d072bcd7738e6e2318ec61 [0,1,0,0,0,1|2,0,0]=4 1220 B12R1.125 CC(=O)NCc1cccnc1C b81f4e2602bed8897ba4d3d274e56b6d [0,1,0,0,0,1|2,0,0]=4 1221 B12R1.125 CC(=O)NCc1cccnc1Cl 5ae7fa168c653f1a409fed2b9dc0d75d [0,1,0,0,0,1|2,0,0]=4 1222 B12R1.125 CC(=O)NCc1cccnc1F f0671dbd7cff55cce0cc54eb3ae10bb2 [0,1,0,0,0,1|2,0,0]=4 1223 B12R1.125 CC(=O)NCc1ccncc1Br c4a95755043f6a0c3d22fc63e4720d23 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.125 CC(=O)NCc1ccncc1C 8c28b95ff25959676d478998d29984fa [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.125 CC(=O)NCc1ccncc1Cl 66e09234ca1d6c56ee804d19475e9c3d [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.125 CC(=O)NCc1ccncc1F 81b87a60c6add1599b8d077db80dffe5 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.125 CC(=O)NCc1ccncc1O bfcd17ca52115d551859bf61a75280b8 [0,1,0,0,0,1|2,0,0]=4 1228 B12R1.125 CC(=O)NCc1cnccc1C 59344c28bf73867bd1874b4bbab5feeb [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.125 CC(=O)NCc1ncccc1Br e4fffdfee10e36c569e067c3c218f970 [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.125 CC(=O)NCc1ncccc1C aca4e86732225f733801ebe508110b68 [0,1,0,0,0,1|2,0,0]=4 1231 B12R1.125 CC(=O)NCc1ncccc1Cl 0b2d7789d42fa9dba1a6fd00984de015 [0,1,0,0,0,1|2,0,0]=4 1232 B12R1.125 CC(=O)NCc1ncccc1F 5b6f475df8e6a6b3575519ff77a19400 [0,1,0,0,0,1|2,0,0]=4 1233 B12R1.125 CC(=O)NCc1ncccc1O 25474b4a15ab9026b21497dfe5b7bebd [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.125 CC(=O)NCc1nccnc1Cl 88a6cf400dbb0bb3642539f129831047 [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.125 CC(=O)NCc1nnccc1C f6fd816587299c5cc0b5e706b44ac6cc [0,1,0,0,0,1|2,0,0]=4 1236 B12R1.226 CC(=O)NCc1cc(ccn1)Br 3c346d9dddff29000302a5d526317a77 [0,1,0,0,0,1|2,0,0]=4 1237 B12R1.226 CC(=O)NCc1cc(ccn1)C 429b26804f717563030425c491283281 [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 7586965aa22ceb837f608b8f0594f814 [0,1,0,0,0,1|2,0,0]=4 1239 B12R1.226 CC(=O)NCc1ccc[n+](c1)[O-] 24275597d47510c3e041f2e83bfada16 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.226 CC(=O)NCc1cccc(c1)Br de12b91af74adce6491e684ee046a109 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.226 CC(=O)NCc1cccc(c1)C 2a897b53ee5ae4ee12831959238615eb [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.226 CC(=O)NCc1cccc(c1)Cl 41ca11020cbae0363ca80ce2470c3eaa [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.226 CC(=O)NCc1cccc(c1)F 01d6391ca1042cdbb55ba2e4912ec579 [0,1,0,0,0,1|2,0,0]=4 1244 B12R1.226 CC(=O)NCc1cccc(c1)I 5fa08dbe9ba4e88c69d843155ffafe98 [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.226 CC(=O)NCc1cccc(c1)O c305a8cebe934755e5a41fc4c98fdcfd [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.226 CC(=O)NCc1cccc(n1)Br 0f60240374d98f44993e2c5ba8414971 [0,1,0,0,0,1|2,0,0]=4 1247 B12R1.226 CC(=O)NCc1cccc(n1)C ff894d8ae2ecfa1c00d2f0abc4131898 [0,1,0,0,0,1|2,0,0]=4 1248 B12R1.226 CC(=O)NCc1cccc(n1)Cl 420099df8a33fec62f353266fdcc63a0 [0,1,0,0,0,1|2,0,0]=4 1249 B12R1.226 CC(=O)NCc1cccc(n1)F cc4f35c3fc7c759cf2a59c9c9b1dd0b0 [0,1,0,0,0,1|2,0,0]=4 1250 B12R1.226 CC(=O)NCc1ccnc(c1)Br eab8b2206918807938ea11ddc79a956b [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.226 CC(=O)NCc1ccnc(c1)C d16c7b99677f4c6cc1ac59a6ab724882 [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 8d995cea5bcc2a694c9b597f899eb394 [0,1,0,0,0,1|2,0,0]=4 1253 B12R1.226 CC(=O)NCc1ccnc(c1)F 1cf74abba14b4f8a94b3bc1bf310b512 [0,1,0,0,0,1|2,0,0]=4 1254 B12R1.226 CC(=O)NCc1ccnc(n1)C e1af3db8f32ffa0ca938e5e44774ad13 [0,1,0,0,0,1|2,0,0]=4 1255 B12R1.226 CC(=O)NCc1cncc(c1)Br 98628582e14e1ea7e3b382b4593d9efa [0,1,0,0,0,1|2,0,0]=4 1256 B12R1.226 CC(=O)NCc1cncc(c1)C a0b0222bd9beefb065992dcbb0f9157d [0,1,0,0,0,1|2,0,0]=4 1257 B12R1.226 CC(=O)NCc1cncc(c1)Cl 8cfb134e8659701dd7549b104bf96d89 [0,1,0,0,0,1|2,0,0]=4 1258 B12R1.226 CC(=O)NCc1cncc(c1)F aa4ed4c60f5c266021a898f6861ab12a [0,1,0,0,0,1|2,0,0]=4 1259 B12R1.226 CC(=O)NCc1cncc(c1)O 6871085a4fa5a87c8288016f463922cc [0,1,0,0,0,1|2,0,0]=4 1260 B12R1.226 CC(=O)NCc1cncc(n1)Cl 9496d6b9e2e705405b14c4b1125b51a0 [0,1,0,0,0,1|2,0,0]=4 1261 B12R1.226 CC(=O)NCc1nccc(n1)C c8eb7e7d4c8203111a9dd888dcd3552e [0,1,0,0,0,1|2,0,0]=4 1262 B12R1.226 CC(=O)NCc1nccc(n1)Cl 940f5d6d7e12eed9fd68dd08007b5826 [0,1,0,0,0,1|2,0,0]=4 1263 B12R1.226 CC(=O)NCc1nccc(n1)O 08d39326ac41bf8354f47a68d131ecd8 [0,1,0,0,0,1|2,0,0]=4 1264 B12R1.54 C=C(Br)COC(C)c1ccco1 b32fb13f70e9bd9c1f95a1f06fa6f98c [0,1,0,0,0,1|1,0,1]=4 1265 B12R1.54 C=C(Br)CO[C@H](C)c1ccco1 5927040a933c2512f1dd78b72671c45b [0,1,0,0,0,1|1,0,1]=4 1266 B12R1.54 C=C(C)CNC(C)c1ccco1 c9e5d4a874da072240ab08c3788f7fea [0,1,0,0,0,1|2,0,0]=4 1267 B12R1.54 C=C(C)CN[C@H](C)c1ccco1 62851749aa26266a0cd2cecf98346857 [0,1,0,0,0,1|2,0,0]=4 1268 B12R1.54 C=C(C)COC(C)c1ccco1 bac10378e397b117724d2383af60247a [0,1,0,0,0,1|1,0,0]=3 1269 B12R1.54 C=C(C)COC(C)c1cccs1 cf198f61139112fd234d3d635fa2c566 [0,1,0,0,0,1|1,1,0]=4 1270 B12R1.54 C=C(C)COC(C)c1ncco1 01ce68539756b94017ad9f34a82603e0 [0,1,0,0,0,1|2,0,0]=4 1271 B12R1.54 C=C(C)CO[C@@H](C)c1cccs1 6a022e7d086e29c0c5e11bb5e870bad9 [0,1,0,0,0,1|1,1,0]=4 1272 B12R1.54 C=C(C)CO[C@H](C)c1ccco1 f7d362fcddb233d0a64f8741beba9c2f [0,1,0,0,0,1|1,0,0]=3 1273 B12R1.54 C=C(C)CO[C@H](C)c1cccs1 e179b3d9c916909c90d8e1fd2bc0cdf3 [0,1,0,0,0,1|1,1,0]=4 1274 B12R1.54 CC(=O)CCN(C)c1ncco1 187f9286d54bab41b0001714145cb5bd [0,1,0,0,0,1|2,0,0]=4 1275 B12R1.54 CC(=O)CNC(=O)c1ccco1 56654b89a8dfbd72cd379dbeb9d1b7b7 [0,1,0,0,0,1|1,0,1]=4 1276 B12R1.54 CC(=O)NCC(O)c1ccco1 f2e81afc8e8304b7e3ab1869a2593ba5 [0,1,0,0,0,1|1,0,0]=3 1277 B12R1.54 CC(=O)NCC(O)c1cccs1 43262675cb0d43f197929195cc595e21 [0,1,0,0,0,1|1,1,0]=4 1278 B12R1.54 CC(=O)OCN(C)c1cc[nH]n1 4831498db5ec3310bd0c74936fe26515 [0,1,0,0,0,1|2,0,0]=4 1279 B12R1.54 CC(=O)OCN(C)c1ccon1 a9cf3c90d6bb3fbe295d4f5fabd56705 [0,1,0,0,0,1|2,0,0]=4 1280 B12R1.54 CC(=O)OCN(C)c1ccsc1 ec8ff3e53e9445d95684af0595d974a9 [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.54 CC(=O)OCN(C)c1ncc[nH]1 4abc00ce73bf8a3465a513ea135c6043 [0,1,0,0,0,1|2,0,0]=4 1282 B12R1.54 CC(=O)OCN(C)c1ncco1 1f6705c88a25f80e90f5d33f3e51ed50 [0,1,0,0,0,1|1,0,0]=3 1283 B12R1.54 CC(=O)OCN(C)c1nccs1 27f30ec731ecc6022e338d739cddac94 [0,1,0,0,0,1|1,1,0]=4 1284 B12R1.54 CC(=O)OCN(C)c1nnco1 c5022b985bf484aa2fcb168fce17d606 [0,1,0,0,0,1|2,0,0]=4 1285 B12R1.54 CC(C)COC(C)c1ccco1 8ace6a60ef821ddf64e47ec5a5561609 [0,1,0,0,0,1|1,0,1]=4 1286 B12R1.54 CC(C)CO[C@H](C)c1ccco1 930ff0b3ee66e2fa08a5706751038aa8 [0,1,0,0,0,1|1,0,1]=4 1287 B12R1.54 CC(C)OCC(=O)c1ccco1 155a55d88c82b5f16ab2135ef10deadb [0,1,0,0,0,1|1,0,1]=4 1288 B12R1.54 CC(NCC(=O)N)c1ccco1 eff112b2b40dd8e7050d780004cd011f [0,1,0,0,0,1|2,0,0]=4 1289 B12R1.54 CC(NCC(=O)O)c1ccco1 551a5ae64bc1aa1551a5133c7605b454 [0,1,0,0,0,1|2,0,0]=4 1290 B12R1.54 CC(OCC(=O)N)c1ccco1 6963a82be71f242c2caf0b6c9446a69b [0,1,0,0,0,1|1,0,0]=3 1291 B12R1.54 CC(OCC(=O)N)c1cccs1 996698fa553ae7cc2586adf042b5461b [0,1,0,0,0,1|1,1,0]=4 1292 B12R1.54 CC(OCC(=O)N)c1ncco1 a69601fd6e1281a48d9e4ca63b50e258 [0,1,0,0,0,1|2,0,0]=4 1293 B12R1.54 CC(OCC(=O)O)c1ccco1 e1b893df3f06a2c21df1c6ee9f70db06 [0,1,0,0,0,1|1,0,0]=3 1294 B12R1.54 CC(OCC(=O)O)c1cccs1 4c1d92e6d18c1bd3848a5dc3b21bc1d2 [0,1,0,0,0,1|1,1,0]=4 1295 B12R1.54 CC(OCC(=O)O)c1ncco1 c02ec97102a339e7cd81ca9b914cc365 [0,1,0,0,0,1|2,0,0]=4 1296 B12R1.54 CC(OCN(C)C)c1ccco1 722b21ab2aae3aaad28415b489cc8c33 [0,1,0,0,0,1|2,0,0]=4 1297 B12R1.54 CC(OC[N+](=O)[O-])c1ccco1 ebcb8bb77a44fb867a2dfe5d69c7bff0 [0,1,0,0,0,1|2,0,0]=4 1298 B12R1.54 C[C@@H](NCC(=O)N)c1ccco1 eab8f4d76044cc453219a84f95d8cf23 [0,1,0,0,0,1|2,0,0]=4 1299 B12R1.54 C[C@@H](NCC(=O)O)c1ccco1 baa4be98371dbe86dd2ea9b78b1ecd76 [0,1,0,0,0,1|2,0,0]=4 1300 B12R1.54 C[C@@H](OCC(=O)N)c1ccco1 bb68bad85358dd7e87a2ab14dde2f0f9 [0,1,0,0,0,1|1,0,0]=3 1301 B12R1.54 C[C@@H](OCC(=O)N)c1cccs1 5a611807afbabb3277aad4b9d392264c [0,1,0,0,0,1|1,1,0]=4 1302 B12R1.54 C[C@@H](OCC(=O)O)c1ccco1 ce6ad5d380ace876e3e2d1f8389170f2 [0,1,0,0,0,1|1,0,0]=3 1303 B12R1.54 C[C@@H](OCC(=O)O)c1cccs1 5a90eb0380ce7e6e82b66ff4f8103f5e [0,1,0,0,0,1|1,1,0]=4 1304 B12R1.54 C[C@@H](OCN(C)C)c1ccco1 975cd7fa54d9eb39c65293c4fc6bbd16 [0,1,0,0,0,1|2,0,0]=4 1305 B12R1.54 C[C@@H](OC[N+](=O)[O-])c1ccco1 2905d94634121d62692ad8fdbc8c4eae [0,1,0,0,0,1|2,0,0]=4 1306 B12R1.54 C[C@H](OCC(=O)N)c1cccs1 ca6e5504724e8be905a0e36f42e83f31 [0,1,0,0,0,1|1,1,0]=4 1307 B12R1.54 C[C@H](OCC(=O)O)c1cccs1 bb3663bf871402bbe7efa7a78fcf2fa7 [0,1,0,0,0,1|1,1,0]=4 1308 B12R1.105 C=C(Br)COCc1cc(co1)Br d025ee26a59704af882a95e12aa4711e [0,1,0,0,0,1|1,0,1]=4 1309 B12R1.105 C=C(Br)COCc1ccc(o1)Br 4961958353c3af59beec517c103c909f [0,1,0,0,0,1|1,0,1]=4 1310 B12R1.105 C=C(Br)COCc1ccc(o1)C 33de64d04e9e76caf8f934cf1a71a7c1 [0,1,0,0,0,1|1,0,1]=4 1311 B12R1.105 C=C(C)CCNc1cc(co1)C 7d440d78e0168bd1974f0e656e49258b [0,1,0,0,0,1|2,0,0]=4 1312 B12R1.105 C=C(C)CCNc1ccc(o1)C 97aae9e3867b0db4594657cade28fc32 [0,1,0,0,0,1|2,0,0]=4 1313 B12R1.105 C=C(C)CNCc1cc(co1)C 9f32f6d7f4ee05e87fdd1c0c48f2a80f [0,1,0,0,0,1|2,0,0]=4 1314 B12R1.105 C=C(C)CNCc1ccc(o1)Br a9aacdfe8e9d897102d504eb43d9453e [0,1,0,0,0,1|2,0,0]=4 1315 B12R1.105 C=C(C)CNCc1ccc(o1)C 08b6f31e9875dfcfdd3e014693d4223e [0,1,0,0,0,1|2,0,0]=4 1316 B12R1.105 C=C(C)COCC1C=CC(=O)O1 1d354ba87be6b1221b998befb879d243 [0,1,0,0,0,1|1,0,1]=4 1317 B12R1.105 C=C(C)COC[C@@H]1C=CC(=O)O1 63247832f373106219c0743f2443541e [0,1,0,0,0,1|1,0,1]=4 1318 B12R1.105 C=C(C)COCc1cc(co1)Br 55d29b640a5ceff693ac90c3827803ec [0,1,0,0,0,1|1,0,0]=3 1319 B12R1.105 C=C(C)COCc1cc(cs1)Br 32eeedd7ca0e413210f1009ea2979515 [0,1,0,0,0,1|1,1,0]=4 1320 B12R1.105 C=C(C)COCc1cc(cs1)C ad7aea42b29c8277b7f6f1c4fb66eb16 [0,1,0,0,0,1|1,1,0]=4 1321 B12R1.105 C=C(C)COCc1cc(cs1)Cl 39c9b02fed4c6c8836001e60e2cb015c [0,1,0,0,0,1|1,1,0]=4 1322 B12R1.105 C=C(C)COCc1cc(no1)Br 2ac0ae6af366074b4f962ad76ce00bde [0,1,0,0,0,1|2,0,0]=4 1323 B12R1.105 C=C(C)COCc1cc(no1)C 38815cbe887fff1962c5937d30f202b6 [0,1,0,0,0,1|2,0,0]=4 1324 B12R1.105 C=C(C)COCc1ccc(o1)Br c75cbbc72caaff6770e0d19d7603a446 [0,1,0,0,0,1|1,0,0]=3 1325 B12R1.105 C=C(C)COCc1ccc(o1)C d99220cdb23452c250353ce3fe08d9bc [0,1,0,0,0,1|1,0,0]=3 1326 B12R1.105 C=C(C)COCc1ccc(s1)Br 1fd21112c58b412069c8484895bea75d [0,1,0,0,0,1|1,1,0]=4 1327 B12R1.105 C=C(C)COCc1ccc(s1)C 50c17416b31c6cef648c235a90962ef5 [0,1,0,0,0,1|1,1,0]=4 1328 B12R1.105 C=C(C)COCc1ccc(s1)Cl 6228d4e6ec5be23c0aa8a6033e695ed3 [0,1,0,0,0,1|1,1,0]=4 1329 B12R1.105 C=C(C)COCc1ccc(s1)F a79b9e09e25731dc93a18de40d205268 [0,1,0,0,0,1|1,1,0]=4 1330 B12R1.105 C=C(C)COCc1cnc(o1)C 991b5f821cede3424e1aac7754ad2519 [0,1,0,0,0,1|2,0,0]=4 1331 B12R1.105 C=C(C)COCc1coc(=O)o1 6add125f358f0de047353d1ce6b291b9 [0,1,0,0,0,1|2,0,0]=4 1332 B12R1.105 C=C(C)COCc1nc(co1)Br 743fbdef0f090b8383000fe92d8bbf70 [0,1,0,0,0,1|2,0,0]=4 1333 B12R1.105 C=C(C)COCc1ncc(o1)Br a37803b6922c7d680437f1d750cb5756 [0,1,0,0,0,1|2,0,0]=4 1334 B12R1.105 C=C(Cl)COCc1cc(co1)Br 4999cceee9a0b21caa02ad74b16e7f0c [0,1,0,0,0,1|1,0,1]=4 1335 B12R1.105 C=C(Cl)COCc1ccc(o1)Br 2410bdfc5803c00b408f76e1f5d4141e [0,1,0,0,0,1|1,0,1]=4 1336 B12R1.105 C=C(Cl)COCc1ccc(o1)C 725e896fc427c43ba1d73835dc15cee0 [0,1,0,0,0,1|1,0,1]=4 1337 B12R1.105 C=C(F)COCc1ccc(o1)Br fd810d1c366c1539013d75b8c8bd9bcc [0,1,0,0,0,1|1,0,1]=4 1338 B12R1.105 C=C(F)COCc1ccc(o1)C 2cc00e570b9d34fffb12f5ccba1f2896 [0,1,0,0,0,1|1,0,1]=4 1339 B12R1.105 CC(=CCNc1cc(co1)C)C 5c444ae27019885531eafcc2a2988e40 [0,1,0,0,0,1|2,0,0]=4 1340 B12R1.105 CC(=CCNc1ccc(o1)C)C 4f3bbd1dd31f5dd38f11fa4a07186890 [0,1,0,0,0,1|2,0,0]=4 1341 B12R1.105 CC(=O)CCNc1cc(=O)[nH]o1 69976d32a1f30649de931a70b7dab740 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.105 CC(=O)CCNc1cc(no1)C b1f70d928f4e03de35f2ae89dbd27e8b [0,1,0,0,0,1|2,0,0]=4 1343 B12R1.105 CC(=O)CCNc1ccc(s1)Br f93c60d519130dd8a4285bcbc2e70e50 [0,1,0,0,0,1|1,1,0]=4 1344 B12R1.105 CC(=O)CCNc1ccc(s1)C 46c4b7c31332949ee35b4535108f6ef7 [0,1,0,0,0,1|1,1,0]=4 1345 B12R1.105 CC(=O)CCNc1cnc(o1)C ac13ad6058792727f3a7d2310f61b4fd [0,1,0,0,0,1|2,0,0]=4 1346 B12R1.105 CC(=O)CCNc1nc(co1)Br 237d24fabd0137e1aabd16c28d2debe3 [0,1,0,0,0,1|2,0,0]=4 1347 B12R1.105 CC(=O)CCNc1nc(co1)C 36a01da57362e5274163373c6e895314 [0,1,0,0,0,1|2,0,0]=4 1348 B12R1.105 CC(=O)CCNc1ncc(o1)C cb0606317e516920f53ba3b34cd048ab [0,1,0,0,0,1|2,0,0]=4 1349 B12R1.105 CC(=O)CCOC1C=CC(=O)O1 e1e1d4dd7b2b7295e69025213392509b [0,1,0,0,0,1|1,0,1]=4 1350 B12R1.105 CC(=O)CCOc1cc(cs1)C bfba57169091ae5ce7e7d152aada4bec [0,1,0,0,0,1|1,1,0]=4 1351 B12R1.105 CC(=O)CCOc1ccc(s1)Br 2269c1bec652aa7806dc09c200fc77e5 [0,1,0,0,0,1|1,1,0]=4 1352 B12R1.105 CC(=O)CNCc1cc(cs1)Br 3cdb97e37533203d2f196d3099edd228 [0,1,0,0,0,1|1,1,0]=4 1353 B12R1.105 CC(=O)CNCc1cc(no1)Br 2723e8503c7889fd8c8d13c5593eac72 [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.105 CC(=O)CNCc1cc(no1)C 48106fd824a172911a8b1b001823549a [0,1,0,0,0,1|2,0,0]=4 1355 B12R1.105 CC(=O)CNCc1ccc(s1)Br c2ff2e73d7b4003823bfc1fe8efa5791 [0,1,0,0,0,1|1,1,0]=4 1356 B12R1.105 CC(=O)CNCc1ccc(s1)Cl d25ce649a2f579ccba0983ecb1bb6a53 [0,1,0,0,0,1|1,1,0]=4 1357 B12R1.105 CC(=O)CNCc1cnc(o1)C 5ea66ee1bfa294f5db21664ef7b49a35 [0,1,0,0,0,1|2,0,0]=4 1358 B12R1.105 CC(=O)CNCc1coc(=O)o1 5febe13b76758dee1c70f652e4881c1d [0,1,0,0,0,1|2,0,0]=4 1359 B12R1.105 CC(=O)CNCc1ncc(o1)Br 6150483ec3e60f2fadc9ec33ed49d9da [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.105 CC(=O)CNCc1ncc(o1)C 5438898b77745572fc253656b2c6ef1c [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.105 CC(=O)COCC1=CC(=O)OC1 75bc12507fe5d96dd708375d39353d42 [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.105 CC(=O)COCc1cc(cs1)Br 836e0d65824447f4d1745656309b5e2c [0,1,0,0,0,1|0,1,0]=3 1363 B12R1.105 CC(=O)COCc1cc(no1)Br 9ab8696884e456eb652299d294734e1d [0,1,0,0,0,1|1,0,0]=3 1364 B12R1.105 CC(=O)COCc1cc(no1)C 2c62f6f1421e6e9daa61efd0fb5a9991 [0,1,0,0,0,1|1,0,0]=3 1365 B12R1.105 CC(=O)COCc1cc(on1)C 591bb275b86aa24b7906e09e5287bc16 [0,1,0,0,0,1|2,0,0]=4 1366 B12R1.105 CC(=O)COCc1cc(sn1)Br 97ac468956116bd8e2bc311ec4027fd1 [0,1,0,0,0,1|2,0,0]=4 1367 B12R1.105 CC(=O)COCc1ccc(s1)Br 66827622e588e329c0ccda14d329a5a6 [0,1,0,0,0,1|0,1,0]=3 1368 B12R1.105 CC(=O)COCc1ccc(s1)Cl 3d83c1160d3f887a8001ea3ec24dac92 [0,1,0,0,0,1|0,1,0]=3 1369 B12R1.105 CC(=O)COCc1ccn(n1)C d6868a9fba8c109e8e64180074bac1a3 [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.105 CC(=O)COCc1cnc(s1)Br 2f57e4cdb13a22076a5e0d2cf0e6d107 [0,1,0,0,0,1|1,1,0]=4 1371 B12R1.105 CC(=O)COCc1cnc(s1)C b3d7474b55ac6586b5d61e9589989f94 [0,1,0,0,0,1|1,1,0]=4 1372 B12R1.105 CC(=O)COCc1cnc(s1)Cl 0107437edcf14a60588c6c0f5fa419bd [0,1,0,0,0,1|1,1,0]=4 1373 B12R1.105 CC(=O)COCc1coc(=O)o1 edc9a3cfea5ea6c085f6da5928a0c7e4 [0,1,0,0,0,1|1,0,0]=3 1374 B12R1.105 CC(=O)COCc1coc(n1)C e5872e41b060ee1aa5f922c37a0264de [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.105 CC(=O)COCc1csc(c1)C 9a9c97118c868a3aa2aa614dadfe839d [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.105 CC(=O)COCc1csc(n1)Br f3d702eb8b7a08d53c9d8f1b47fdc22b [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.105 CC(=O)COCc1csc(n1)C f47e26eab2f834121aa0fd280fb82c1c [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.105 CC(=O)COCc1csc(n1)Cl 942d1cc90ba3890ea5bf44b51698d8db [0,1,0,0,0,1|2,0,0]=4 1379 B12R1.105 CC(=O)COCc1nc(cs1)Br 103c475ad841217bb505f7e2b66a4dac [0,1,0,0,0,1|1,1,0]=4 1380 B12R1.105 CC(=O)COCc1nc(cs1)C daa46c3fadd3f7ea6daced66424e23c1 [0,1,0,0,0,1|1,1,0]=4 1381 B12R1.105 CC(=O)COCc1nc(no1)Br 134f74f01995cf2cca87274054233826 [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.105 CC(=O)COCc1nc(no1)C 4155529ec430f26ab48280086183c38c [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.105 CC(=O)COCc1ncc(o1)Br 3955c91997702cdb1e42fc650dea0881 [0,1,0,0,0,1|1,0,0]=3 1384 B12R1.105 CC(=O)COCc1ncc(o1)C 28ee0e758f50ab44187f4fae4982f0b7 [0,1,0,0,0,1|1,0,0]=3 1385 B12R1.105 CC(=O)COCc1ncc(s1)Br 66d53da4d3b86ce8ad53ddff8c700631 [0,1,0,0,0,1|1,1,0]=4 1386 B12R1.105 CC(=O)COCc1ncc(s1)Cl b01459ab580a425cfadd7615816b9ab7 [0,1,0,0,0,1|1,1,0]=4 1387 B12R1.105 CC(=O)COCc1nnc(o1)C 3b33d6fac33211fcbebc8d071fbdaf6f [0,1,0,0,0,1|2,0,0]=4 1388 B12R1.105 CC(=O)COCn1cc(cn1)Cl 063b3f84014272d57f79eca580a22127 [0,1,0,0,0,1|2,0,0]=4 1389 B12R1.105 CC(=O)NCCc1ccc(o1)C 4144320537f66e193f4d4afa8ee729d8 [0,1,0,0,0,1|1,0,0]=3 1390 B12R1.105 CC(=O)NCCc1ccc(s1)Br a0b2b99f536ee6e2b9d90a6a9b83004c [0,1,0,0,0,1|1,1,0]=4 1391 B12R1.105 CC(=O)NCCc1ccc(s1)C c9e2ebb4e9c51f1e96468b2a4fdce03b [0,1,0,0,0,1|1,1,0]=4 1392 B12R1.105 CC(=O)NCCc1ncc(o1)C 4d6a2e6fcd496d7e64bc793507caac8a [0,1,0,0,0,1|2,0,0]=4 1393 B12R1.105 CC(=O)OCNc1cc(=O)[nH]o1 cf9a643f327b505c973076c5807ecce5 [0,1,0,0,0,1|1,0,0]=3 1394 B12R1.105 CC(=O)OCNc1cc([nH]n1)Br c0bb5f2cfee2808aedcf5e0b6a45c2db [0,1,0,0,0,1|2,0,0]=4 1395 B12R1.105 CC(=O)OCNc1cc([nH]n1)C bba2ce8b356ea19bf91324b565231197 [0,1,0,0,0,1|2,0,0]=4 1396 B12R1.105 CC(=O)OCNc1cc([nH]n1)F 34b8a690bdea47827784d156f232b0ff [0,1,0,0,0,1|2,0,0]=4 1397 B12R1.105 CC(=O)OCNc1cc(n[nH]1)Cl a45160fc2a9aa3c341db60faad98148e [0,1,0,0,0,1|2,0,0]=4 1398 B12R1.105 CC(=O)OCNc1cc(no1)C 42a878ade0477bd262c127e99021998b [0,1,0,0,0,1|1,0,0]=3 1399 B12R1.105 CC(=O)OCNc1cc(ns1)C 9b85a1298463ec5d148ce57fc8e25abd [0,1,0,0,0,1|1,1,0]=4 1400 B12R1.105 CC(=O)OCNc1cc(on1)C 799ced312692b3eb6a021e5d7c8f8046 [0,1,0,0,0,1|2,0,0]=4 1401 B12R1.105 CC(=O)OCNc1cc(sn1)Br 196456e5b0f1ed748cb05cab9651ae2b [0,1,0,0,0,1|2,0,0]=4 1402 B12R1.105 CC(=O)OCNc1ccc(s1)Br 1ae8ed11d4cc752ef8b725638e378706 [0,1,0,0,0,1|0,1,0]=3 1403 B12R1.105 CC(=O)OCNc1ccc(s1)C eed6a0006883d8e6306c8af5be01554f [0,1,0,0,0,1|0,1,0]=3 1404 B12R1.105 CC(=O)OCNc1ccn(n1)C bf7767c941b6ffc84910855385d2fafa [0,1,0,0,0,1|2,0,0]=4 1405 B12R1.105 CC(=O)OCNc1cn(cn1)C 451a7d386afb0d792aa39faa92590d48 [0,1,0,0,0,1|2,0,0]=4 1406 B12R1.105 CC(=O)OCNc1cnc(o1)C d8674a1a0b895f5d1035d03a33cb797e [0,1,0,0,0,1|1,0,0]=3 1407 B12R1.105 CC(=O)OCNc1cnc(s1)Br f5843f4d94dbf686b51a01b283e5714b [0,1,0,0,0,1|1,1,0]=4 1408 B12R1.105 CC(=O)OCNc1cnc(s1)C 486316d5a9c9d2b101b5564ddfbcdfd2 [0,1,0,0,0,1|1,1,0]=4 1409 B12R1.105 CC(=O)OCNc1cnc(s1)S 0e6bdddb7e9f6c955973ba84f52d4d03 [0,1,0,0,0,1|1,1,0]=4 1410 B12R1.105 CC(=O)OCNc1csc(n1)Br 644ed8d4bbbdd0a741eac3fbc6d40cc5 [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.105 CC(=O)OCNc1nc(co1)Br a6f00a105cc6cc2938ecda5659dbbae1 [0,1,0,0,0,1|1,0,0]=3 1412 B12R1.105 CC(=O)OCNc1nc(co1)C 3fda9a65b339624173a5c26772400f19 [0,1,0,0,0,1|1,0,0]=3 1413 B12R1.105 CC(=O)OCNc1nc(cs1)Br 34ba47499e2a8b5c53dbb3af27f79181 [0,1,0,0,0,1|1,1,0]=4 1414 B12R1.105 CC(=O)OCNc1nc(cs1)C bfa5704b09d8e9b389cc2989f38cb51c [0,1,0,0,0,1|1,1,0]=4 1415 B12R1.105 CC(=O)OCNc1nc(cs1)Cl b26a97b8f0f10d0112221dc625167411 [0,1,0,0,0,1|1,1,0]=4 1416 B12R1.105 CC(=O)OCNc1nc(no1)C c3ecc5841743804a3ddf9f0e4542cc48 [0,1,0,0,0,1|2,0,0]=4 1417 B12R1.105 CC(=O)OCNc1ncc([nH]1)C ee4d7e4257afeb8749b80da2175c00af [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.105 CC(=O)OCNc1ncc(o1)C a49c0c4f5ce40a43430da8e5f3b1c228 [0,1,0,0,0,1|1,0,0]=3 1419 B12R1.105 CC(=O)OCNc1ncc(s1)Br 42d1c2fde885df92ac0bd1d687d20461 [0,1,0,0,0,1|1,1,0]=4 1420 B12R1.105 CC(=O)OCNc1ncc(s1)C 3631385ed32e765f13416910cee089c9 [0,1,0,0,0,1|1,1,0]=4 1421 B12R1.105 CC(=O)OCNc1ncc(s1)Cl be9b039649718a435702dd85865cc3d2 [0,1,0,0,0,1|1,1,0]=4 1422 B12R1.105 CC(=O)OCNc1ncc(s1)F c61c840873108f2cafa02ffb5f012576 [0,1,0,0,0,1|1,1,0]=4 1423 B12R1.105 CC(=O)OCNc1nnc(o1)Br 800bed823f0ee5dc5b1ae96b897a5ae0 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.105 CC(=O)OCOC1=CC(=O)CC1 a69567126f815700e868816066082af5 [0,1,0,0,0,1|1,0,1]=4 1425 B12R1.105 CC(=O)OCOC1=CC(=O)NC1 b3734a04caa72b98455243c76f4cc7ce [0,1,0,0,0,1|2,0,0]=4 1426 B12R1.105 CC(=O)OCOC1=CC(=O)OC1 815b1c3c691ca879b23ad45f45e6d93b [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.105 CC(=O)OCOC1=COC(=O)C1 c8830627098377c362280b1f289f9265 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.105 CC(=O)OCOC1C=CC(=O)C1 626ed9de24d93363f2e00aa55112b913 [0,1,0,0,0,1|1,0,1]=4 1429 B12R1.105 CC(=O)OCOC1C=CC(=O)O1 4b22de127593f33763b68d3f080ff999 [0,1,0,0,0,1|0,0,1]=3 1430 B12R1.105 CC(=O)OCO[C@H]1C=CC(=O)C1 677acb3dd12d2db2c307a92d56c167cc [0,1,0,0,0,1|1,0,1]=4 1431 B12R1.105 CC(=O)OCOc1cc(cs1)C 067fad245c06b150093e892edfabecee [0,1,0,0,0,1|0,1,0]=3 1432 B12R1.105 CC(=O)OCOc1cc(sn1)Cl f5f013f0e55c121c9b8e1df76d39d975 [0,1,0,0,0,1|2,0,0]=4 1433 B12R1.105 CC(=O)OCOc1ccc(s1)Br 46faa14757fc9ef0149a7a0be7a4fd68 [0,1,0,0,0,1|0,1,0]=3 1434 B12R1.105 CC(=O)OCOc1ccn(n1)C 2a2264312ef9ae690b23f6c406a91c1e [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.105 CC(=O)OCOc1nc(cs1)Br 6791ef14f24fc3c4ecbf8c9ffbd4fe16 [0,1,0,0,0,1|1,1,0]=4 1436 B12R1.105 CC(=O)OCOc1nc(no1)C ff5cc61da40463f09e3f70230a37df1f [0,1,0,0,0,1|2,0,0]=4 1437 B12R1.105 CC(=O)OCOn1cc(cn1)I 4d9787096932a5550ed29b1f6928974d [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.105 CC(C)COCc1cc(co1)Br 6b8ef0654c9e053b8072254d67a385d0 [0,1,0,0,0,1|1,0,1]=4 1439 B12R1.105 CC(C)COCc1ccc(o1)Br 47a616c62292f9997e8fdd0845d31104 [0,1,0,0,0,1|1,0,1]=4 1440 B12R1.105 CN(C)COCc1cc(co1)Br 95587523383cbd7d106fee974fe5ec52 [0,1,0,0,0,1|2,0,0]=4 1441 B12R1.105 CN(C)COCc1ccc(o1)Br 9f9699624d151d19da41e1eb41b003c7 [0,1,0,0,0,1|2,0,0]=4 1442 B12R1.105 Cc1cc(on1)COCC(=O)N bf5d17ee76b6c0265adb2335330f11e2 [0,1,0,0,0,1|2,0,0]=4 1443 B12R1.105 Cc1cc(on1)COCC(=O)O f79ebd6e59fb2fd9b70738d92e6366f1 [0,1,0,0,0,1|2,0,0]=4 1444 B12R1.105 Cc1ccc(o1)CCOC(C)C db215aa95f6116e9a2507eef8a5e6e57 [0,1,0,0,0,1|1,0,1]=4 1445 B12R1.105 Cc1ccc(o1)CNCC(=O)N 6a580427de969a21f90298b37a767a99 [0,1,0,0,0,1|2,0,0]=4 1446 B12R1.105 Cc1ccc(o1)CNCC(=O)O a8309b50dabd01a06985c91452f319e8 [0,1,0,0,0,1|2,0,0]=4 1447 B12R1.105 Cc1ccc(o1)COCC(=O)N 5500f24f29388a93b8c765190ebdb4fd [0,1,0,0,0,1|1,0,0]=3 1448 B12R1.105 Cc1ccc(o1)COCC(=O)O 691f5f2b1306a7838c51ce93440209d8 [0,1,0,0,0,1|1,0,0]=3 1449 B12R1.105 Cc1ccc(o1)COCC(C)C 089baad180046fcd6da66e44d56848a1 [0,1,0,0,0,1|1,0,1]=4 1450 B12R1.105 Cc1ccc(o1)COCN(C)C 77c80f339da169986e38526bd87e901b [0,1,0,0,0,1|2,0,0]=4 1451 B12R1.105 Cc1ccc(o1)COC[N+](=O)[O-] 69d30becc1137242939a9e0bc0c66d4b [0,1,0,0,0,1|2,0,0]=4 1452 B12R1.105 Cc1ccc(o1)NCCC(=O)N efaa9ea032a2a1188a5311350852fd14 [0,1,0,0,0,1|2,0,0]=4 1453 B12R1.105 Cc1ccc(o1)NCCC(=O)O 76eb15bd41e6481f3ec09a45ac5cef75 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.105 Cc1ccc(o1)NCCS(=O)C 474b587f4ad6d193182e604e495bea4d [0,1,0,0,0,1|2,0,0]=4 1455 B12R1.105 Cc1ccc(s1)COCC(=O)N a8031fa9ad3b25ea3b4b08d54838b8fb [0,1,0,0,0,1|1,1,0]=4 1456 B12R1.105 Cc1ccc(s1)COCC(=O)O 02ea2fc993c29d96bc634b15ae8ef9b1 [0,1,0,0,0,1|1,1,0]=4 1457 B12R1.105 Cc1coc(c1)CNCC(=O)N 476bc05b69a2df8f69fb14ec2a517733 [0,1,0,0,0,1|2,0,0]=4 1458 B12R1.105 Cc1coc(c1)CNCC(=O)O e0bd6c70eed7f2ded747dc702a365699 [0,1,0,0,0,1|2,0,0]=4 1459 B12R1.105 Cc1coc(c1)NCCS(=O)C 1d3e86ae495c4dffd28f73f3c79cc0ed [0,1,0,0,0,1|2,0,0]=4 1460 B12R1.105 Cc1csc(c1)COCC(=O)N c7ca6a7c2053015e19c67783e2f87be5 [0,1,0,0,0,1|1,1,0]=4 1461 B12R1.105 Cc1csc(c1)COCC(=O)O e86403df91b4469d940b5ed847ae9c59 [0,1,0,0,0,1|1,1,0]=4 1462 B12R1.105 Cc1ncc(o1)COCC(=O)N c48a023f06316911d31864934a5e01a0 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.105 NC(=O)CNCc1ccc(o1)Br 8a2a1b21b4b05491e9a01b379b3b7c72 [0,1,0,0,0,1|2,0,0]=4 1464 B12R1.105 NC(=O)COCC1C=CC(=O)O1 674c1be2ce614451d7bea39f846019cf [0,1,0,0,0,1|1,0,1]=4 1465 B12R1.105 NC(=O)COC[C@@H]1C=CC(=O)O1 6bf384934717df25bd133ffcf487c108 [0,1,0,0,0,1|1,0,1]=4 1466 B12R1.105 NC(=O)COCc1cc(co1)Br a70f54d46072af558da365e2cf407eff [0,1,0,0,0,1|1,0,0]=3 1467 B12R1.105 NC(=O)COCc1cc(cs1)Br cac991228d6bbebc34b4b494227d5fd1 [0,1,0,0,0,1|1,1,0]=4 1468 B12R1.105 NC(=O)COCc1cc(cs1)Cl 4794fa773bfe970b9364d52e44f43971 [0,1,0,0,0,1|1,1,0]=4 1469 B12R1.105 NC(=O)COCc1cc(no1)Br b211f487216679e4a35267c7fba5fa81 [0,1,0,0,0,1|2,0,0]=4 1470 B12R1.105 NC(=O)COCc1ccc(o1)Br 93b6f6fbd51df7e5556d414ef994e6b0 [0,1,0,0,0,1|1,0,0]=3 1471 B12R1.105 NC(=O)COCc1ccc(s1)Br 48a6a318054b0ad34f02419313374408 [0,1,0,0,0,1|1,1,0]=4 1472 B12R1.105 NC(=O)COCc1ccc(s1)Cl 701da58f2b35a747d24ba49b8396ca14 [0,1,0,0,0,1|1,1,0]=4 1473 B12R1.105 NC(=O)COCc1ccc(s1)F 6d8703b1b984955c94dc2418963d4e9d [0,1,0,0,0,1|1,1,0]=4 1474 B12R1.105 NC(=O)COCc1coc(=O)o1 cdc5fe6b9ca857c4afe1a69c394d824b [0,1,0,0,0,1|2,0,0]=4 1475 B12R1.105 NC(=O)COCc1nc(co1)Br b602122c3a2d7a01120b1453737b6cb3 [0,1,0,0,0,1|2,0,0]=4 1476 B12R1.105 NC(=O)COCc1ncc(o1)Br fea2c0f3f3446b6aeb6d393ed7675e62 [0,1,0,0,0,1|2,0,0]=4 1477 B12R1.105 O=C(O)CNCc1ccc(o1)Br 0d8bb09d4af65736a5df9bc92e287b52 [0,1,0,0,0,1|2,0,0]=4 1478 B12R1.105 O=C(O)COCC1C=CC(=O)O1 21cf7d84b8bf8b84a5739cf93dc2f312 [0,1,0,0,0,1|1,0,1]=4 1479 B12R1.105 O=C(O)COC[C@@H]1C=CC(=O)O1 064e0b6acd6811d904e4e928c025caf0 [0,1,0,0,0,1|1,0,1]=4 1480 B12R1.105 O=C(O)COCc1cc(co1)Br 40a8290dce5ba404210a85fdd1d0911d [0,1,0,0,0,1|1,0,0]=3 1481 B12R1.105 O=C(O)COCc1cc(cs1)Br ed7998ed0faf5efa1072768677498076 [0,1,0,0,0,1|1,1,0]=4 1482 B12R1.105 O=C(O)COCc1cc(no1)Br 2f9f6e16c04a839e9fe518db1c3e8f1c [0,1,0,0,0,1|2,0,0]=4 1483 B12R1.105 O=C(O)COCc1ccc(o1)Br f759ad5bf240d9d3ebb5490fd5e6983d [0,1,0,0,0,1|1,0,0]=3 1484 B12R1.105 O=C(O)COCc1ccc(s1)Br 7529ff0b962f88958e01d6253df5679b [0,1,0,0,0,1|1,1,0]=4 1485 B12R1.105 O=C(O)COCc1ccc(s1)Cl 2537281626aa43611187852be922c7f5 [0,1,0,0,0,1|1,1,0]=4 1486 B12R1.105 O=C(O)COCc1coc(=O)o1 20fb5c85207558e93ef0670cd223f8f5 [0,1,0,0,0,1|2,0,0]=4 1487 B12R1.105 O=C(O)COCc1nc(co1)Br d3402705a5999c08736a01fee7d18897 [0,1,0,0,0,1|2,0,0]=4 1488 B12R1.105 O=C(O)COCc1ncc(o1)Br af8a7a5e2e07deb54c06a0bdbc0c22e1 [0,1,0,0,0,1|2,0,0]=4 1489 B12R1.105 O=[N+]([O-])COCc1cc(co1)Br f770e422ae9af50635c1a9a19e4269f7 [0,1,0,0,0,1|2,0,0]=4 1490 B12R1.105 O=[N+]([O-])COCc1ccc(o1)Br 27da8ce4c9ef70b0cd35ac10bbd7fae2 [0,1,0,0,0,1|2,0,0]=4 1491 B12R1.130 C=C(Br)COCc1occc1Br d064435a98e6455e974b9a6f5e944482 [0,1,0,0,0,1|1,0,1]=4 1492 B12R1.130 C=C(Br)COCc1occc1C 67e2c89a8f329ecef372ff3b9a8cf501 [0,1,0,0,0,1|1,0,1]=4 1493 B12R1.130 C=C(C)CNCc1occc1C 007152b13b75e639c2ebf57c99076168 [0,1,0,0,0,1|2,0,0]=4 1494 B12R1.130 C=C(C)COCc1cccn1C 4409425353a3c69e152174ecb897dccd [0,1,0,0,0,1|2,0,0]=4 1495 B12R1.130 C=C(C)COCc1occc1Br 56560d960e7bb5a0d9686ebdc5b5f93b [0,1,0,0,0,1|1,0,0]=3 1496 B12R1.130 C=C(C)COCc1occc1C c4ab2c460de51090852137b9cd769a1a [0,1,0,0,0,1|1,0,0]=3 1497 B12R1.130 C=C(C)COCc1ocnc1C a5035adef5093b2c7f2228fb9d75d525 [0,1,0,0,0,1|2,0,0]=4 1498 B12R1.130 C=C(C)COCc1oncc1C d5380a2952d4e211a493dc20e613590a [0,1,0,0,0,1|2,0,0]=4 1499 B12R1.130 C=C(C)COCc1sccc1C 1e6fd90549717bf83d903beadfecfaaf [0,1,0,0,0,1|1,1,0]=4 1500 B12R1.130 C=C(C)COCc1sccc1Cl 78c74d360f9d0975ceebbc2d4d58d97d [0,1,0,0,0,1|1,1,0]=4 1501 B12R1.130 C=C(C)COCc1sccc1F 6867275fd5de0a15d470870d5ec59a24 [0,1,0,0,0,1|1,1,0]=4 1502 B12R1.130 C=C(Cl)COCc1occc1Br 3160719f1c6bfa4a41528a6c5e756bb4 [0,1,0,0,0,1|1,0,1]=4 1503 B12R1.130 C=C(Cl)COCc1occc1C 59425252d60506fbe503843259ee7cff [0,1,0,0,0,1|1,0,1]=4 1504 B12R1.130 C=C(F)COCc1occc1Br 8fa36d286ff0bce474846736c5470ef5 [0,1,0,0,0,1|1,0,1]=4 1505 B12R1.130 C=C(F)COCc1occc1C 79430b46b8608fc8169d28d1291e7389 [0,1,0,0,0,1|1,0,1]=4 1506 B12R1.130 CC(=O)CCNc1oncc1C 17406e873093d338c18f2af27310d0b1 [0,1,0,0,0,1|2,0,0]=4 1507 B12R1.130 CC(=O)CCOc1cccn1C c6ed782981032c501d1a58e382064055 [0,1,0,0,0,1|2,0,0]=4 1508 B12R1.130 CC(=O)COCc1ccnn1C 1a3b56ddcfd18fcedbdf104684e08b76 [0,1,0,0,0,1|2,0,0]=4 1509 B12R1.130 CC(=O)COCc1ccsc1Br 8af203cafe7757f956af0534b5a12d7f [0,1,0,0,0,1|2,0,0]=4 1510 B12R1.130 CC(=O)COCc1ccsc1Cl 346adf82306fa3f187504c5f4599e26b [0,1,0,0,0,1|2,0,0]=4 1511 B12R1.130 CC(=O)COCc1cncn1C 3f4bf3ec9ea9d97cb94b0ec9a193648e [0,1,0,0,0,1|2,0,0]=4 1512 B12R1.130 CC(=O)COCc1cscc1Br 8f3a8d62d6ed698e45f40ce0f3521290 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.130 CC(=O)COCc1nccn1C 2400a98a795000f3053c3030d794394b [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.130 CC(=O)COCc1ncoc1C 9869f87516e51a39983ac09673ee9b11 [0,1,0,0,0,1|2,0,0]=4 1515 B12R1.130 CC(=O)COCc1nocc1Br 5534dbbd418a0ce2fa41a824f5cb6597 [0,1,0,0,0,1|2,0,0]=4 1516 B12R1.130 CC(=O)COCc1scnc1C 22a1c394419d260449b52fc711d5831a [0,1,0,0,0,1|1,1,0]=4 1517 B12R1.130 CC(=O)COCc1scnc1Cl 4c71faba0a563882d29174dc7d952eea [0,1,0,0,0,1|1,1,0]=4 1518 B12R1.130 CC(=O)NCCc1cccn1C 228840714ab5d74414a22726164b559c [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.130 CC(=O)NCCc1sccc1C 54d2325cc7c28ca90bd4f8f05c8ba280 [0,1,0,0,0,1|1,1,0]=4 1520 B12R1.130 CC(=O)OCNc1[nH]ncc1F 8d88d2a90e8ea70bc89901a8583e160d [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.130 CC(=O)OCNc1ccnn1C 71e9007967e0f76ebb55b4798d62f434 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.130 CC(=O)OCNc1ccsc1C 37e60f2d6fdd9a7b94a5bb5f55c7668f [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.130 CC(=O)OCNc1cncn1C 5f7187695001c95843ac93aab8f80bfe [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.130 CC(=O)OCNc1cscc1Br a6ee03c0862a1a91d6411b56febc1e52 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.130 CC(=O)OCNc1cscc1C b9756f6d91930e67cc18597c5c4b682e [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.130 CC(=O)OCNc1n[nH]cc1Br 964f858579b9c8c65a20d0bfbd80ccc0 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.130 CC(=O)OCNc1n[nH]cc1C 7555e4f3266469b03267dd22d6324289 [0,1,0,0,0,1|2,0,0]=4 1528 B12R1.130 CC(=O)OCNc1n[nH]cc1Cl f7662067cfa5677d0e5fe30b1a132ebc [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.130 CC(=O)OCNc1n[nH]cc1I dbab228be2e6f6802870c2d87764a999 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.130 CC(=O)OCNc1nccn1C 11929f47db29ee7702c9f14fea90bcff [0,1,0,0,0,1|2,0,0]=4 1531 B12R1.130 CC(=O)OCNc1nocc1Br c7cb374c5c9df4b4d9b862a6bd272816 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.130 CC(=O)OCNc1nocc1C 8025b7498ea1900d82b27b7e9299b284 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.130 CC(=O)OCNc1nocc1Cl 27d8ea3d1c95757bc2c94fdb1a1dcc0c [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.130 CC(=O)OCNc1oncc1C bca7723d17c61ccb5c15a0e6eacbe314 [0,1,0,0,0,1|1,0,0]=3 1535 B12R1.130 CC(=O)OCNc1scnc1C a68a31e7c55595c5b3b4e3eb8db9d880 [0,1,0,0,0,1|1,1,0]=4 1536 B12R1.130 CC(=O)OCOc1cccn1C b778dc17452aa1d5f47e4e1329ab7670 [0,1,0,0,0,1|1,0,0]=3 1537 B12R1.130 CC(=O)OCOc1ccnn1C bf928cae03a2c31c4fc5b218e22ab170 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.130 CC(=O)OCOc1n[nH]cc1C 049bbbe9f32e514d1e1e92abd75bd561 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.130 CC(=O)OCOc1nocc1Br de60dca8da2def434934ee0d0bcf4ca7 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.130 CC(C)COCc1occc1Br 934fa30b1456a808990a030680513fd5 [0,1,0,0,0,1|1,0,1]=4 1541 B12R1.130 CN(C)COCc1occc1Br 0c5dca890918af54ee50ef884e668e41 [0,1,0,0,0,1|2,0,0]=4 1542 B12R1.130 Cc1ccoc1CNCC(=O)N a495dfd1656e51150ce2c2a7aa82fccf [0,1,0,0,0,1|2,0,0]=4 1543 B12R1.130 Cc1ccoc1CNCC(=O)O 3ed0dedb8bf9d1915527eccacc205494 [0,1,0,0,0,1|2,0,0]=4 1544 B12R1.130 Cc1ccoc1COCC(=O)N 20ea08f0db706444b26b39846e46d1b1 [0,1,0,0,0,1|1,0,0]=3 1545 B12R1.130 Cc1ccoc1COCC(=O)O b2e6b759ffaae3726b10514cb115700c [0,1,0,0,0,1|1,0,0]=3 1546 B12R1.130 Cc1ccoc1COCC(C)C 4b73f669ad7b03103b38200d73f3ff29 [0,1,0,0,0,1|1,0,1]=4 1547 B12R1.130 Cc1ccoc1COCN(C)C 1c26bb76f4400aa07786b40415874079 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.130 Cc1ccoc1COC[N+](=O)[O-] e1c4e1bb748b1facc2d211b174926233 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.130 Cc1ccsc1COCC(=O)N 72373d9858bf1be50ca6fd973a82e3a8 [0,1,0,0,0,1|1,1,0]=4 1550 B12R1.130 Cc1ccsc1COCC(=O)O f49baa20cfe898febedf1269188a9d12 [0,1,0,0,0,1|1,1,0]=4 1551 B12R1.130 Cc1cnoc1COCC(=O)N 1b9b2661abe56c35a12cab4a8569c0fb [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.130 Cc1cnoc1COCC(=O)O 7f5bbbc37b814c8d2f29b2ad8dba9a19 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.130 Cc1ncoc1COCC(=O)N 9aec417ed1573a8535b1709e554e94e8 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.130 Cc1ncoc1COCC(=O)O ac7b8dd191752fd8f53c93b6c9bc92a7 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.130 Cn1cccc1COCC(=O)N 83f7ae69049ef429fb7706736074fdd4 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.130 Cn1cccc1COCC(=O)O 6b071932ebd66a6fcc5f4874fa537ec5 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.130 NC(=O)COCc1occc1Br e4035cb41954e0c09176b30134664c46 [0,1,0,0,0,1|1,0,0]=3 1558 B12R1.130 NC(=O)COCc1sccc1Br be037f13f827b0279ef7ff92ed2a5bfc [0,1,0,0,0,1|1,1,0]=4 1559 B12R1.130 NC(=O)COCc1sccc1Cl dd57bb932a92fde285af1346df983f88 [0,1,0,0,0,1|1,1,0]=4 1560 B12R1.130 NC(=O)COCc1sccc1F 5209f0d1b8b0c333aacf44b5cdf3bc59 [0,1,0,0,0,1|1,1,0]=4 1561 B12R1.130 O=C(O)COCc1occc1Br dad39375a0889930933a50a5c8d371c7 [0,1,0,0,0,1|1,0,0]=3 1562 B12R1.130 O=C(O)COCc1sccc1Cl 23c931d3ee1b68c63205d2c7a06d2a31 [0,1,0,0,0,1|1,1,0]=4 1563 B12R1.130 O=C(O)COCc1sccc1F 8b1324a24cbd1d1fd8a9f22fb771dab4 [0,1,0,0,0,1|1,1,0]=4 1564 B12R1.130 O=[N+]([O-])COCc1occc1Br 3035185ec9fdef5500be0654edcc9b5c [0,1,0,0,0,1|2,0,0]=4 1565 B12R1.260 C=C(C)CN(C)Cc1ccco1 79a1ace72ff7879138e9244db56f276a [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.260 CC(=O)NC(C)Cc1ccco1 6cb720845f829a0cf0aeb92e5ca9c2a4 [0,1,0,0,0,1|1,0,0]=3 1567 B12R1.260 CC(=O)OC(C)Nc1cc[nH]n1 05fa5794fba3f71cc2d8cb4017644e70 [0,1,0,0,0,1|2,0,0]=4 1568 B12R1.260 CC(=O)OC(C)Nc1ccno1 5e4c9a2102c5451efe87baefa99089f2 [0,1,0,0,0,1|1,0,0]=3 1569 B12R1.260 CC(=O)OC(C)Nc1ccns1 329b641eb200bd7d27d46824e84aaf3b [0,1,0,0,0,1|1,1,0]=4 1570 B12R1.260 CC(=O)OC(C)Nc1ccon1 9a8c95155e3bd17a4f93ee9683c54c81 [0,1,0,0,0,1|2,0,0]=4 1571 B12R1.260 CC(=O)OC(C)Nc1ccsc1 7c39f586596a08095b05b14f0dc99fa6 [0,1,0,0,0,1|2,0,0]=4 1572 B12R1.260 CC(=O)OC(C)Nc1cncs1 95affd4ce767f619423a4d6c0cb9a641 [0,1,0,0,0,1|1,1,0]=4 1573 B12R1.260 CC(=O)OC(C)Nc1cocn1 17265ecb61daa78d2b07422d313c944b [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.260 CC(=O)OC(C)Nc1cscn1 0a44d5aa4f759cb967b63cfeeffc7672 [0,1,0,0,0,1|2,0,0]=4 1575 B12R1.260 CC(=O)OC(C)Nc1ncc[nH]1 2ceef2e1c4600c915d60e66a8e729879 [0,1,0,0,0,1|2,0,0]=4 1576 B12R1.260 CC(=O)OC(C)Nc1ncco1 fa6018de7b9d77d4177b53a4a44daa66 [0,1,0,0,0,1|1,0,0]=3 1577 B12R1.260 CC(=O)OC(C)Nc1nccs1 75f1c741e64fec7183394c9d21539785 [0,1,0,0,0,1|1,1,0]=4 1578 B12R1.260 CC(=O)OC(C)Nc1nnco1 19075104d2387fca5d65cb804e30cfd9 [0,1,0,0,0,1|2,0,0]=4 1579 B12R1.260 CC(=O)OC(C)Oc1c[nH]cn1 c9d201d8057e49e5589167f3ff1e85a2 [0,1,0,0,0,1|2,0,0]=4 1580 B12R1.260 CC(=O)OC(C)Oc1ccco1 07baab0a0b9e646211d1cabdfe3102a5 [0,1,0,0,0,1|0,0,0]=2 1581 B12R1.260 CC(=O)OC(C)Oc1ccn[nH]1 4b209ae3bef9ce1a8a13b4f61b540992 [0,1,0,0,0,1|2,0,0]=4 1582 B12R1.260 CC(=O)OC(C)Oc1ccsc1 4a9db1f9d9858170950cbc5984e22d38 [0,1,0,0,0,1|2,0,0]=4 1583 B12R1.260 CC(=O)OC(C)Oc1nccs1 efb6230c6ae6fa9d744e40b0a7056dc4 [0,1,0,0,0,1|1,1,0]=4 1584 B12R1.260 CC(=O)OC(C)On1cccn1 27e6f98864ce55850f6da3728a6a149c [0,1,0,0,0,1|2,0,0]=4 1585 B12R1.260 CN(CC(=O)N)Cc1ccco1 80bdecd1903c0982366e396a6dfba2e2 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.260 CN(CC(=O)O)Cc1ccco1 1c964894c2f7db8f3f04c51d8682d0ae [0,1,0,0,0,1|2,0,0]=4 1587 B12R1.264 C=C(C)C(=O)NCc1ccco1 05adb93a8819c7dc5bee48272e51a8a8 [0,1,0,0,0,1|2,0,0]=4 1588 B12R1.264 C=C(COc1ccco1)C(=O)O 5df9988d02b09d6b01aec7fd8c6fa47f [0,1,0,0,0,1|2,0,0]=4 1589 B12R1.264 CC(=O)C(=O)CNc1cccs1 ff0f90fd198bafd333a5eea64769aca2 [0,1,0,0,0,1|1,1,0]=4 1590 B12R1.264 CC(=O)C(=O)CNc1ccno1 15ed07136cf30ea484b20685c182e8e4 [0,1,0,0,0,1|2,0,0]=4 1591 B12R1.264 CC(=O)C(=O)CNc1ncco1 4a4a14bb6ef90944201e68f3896410ae [0,1,0,0,0,1|2,0,0]=4 1592 B12R1.264 CC(=O)C(=O)COc1ccco1 33ddb1d05fe1ee198a420a72025dc11c [0,1,0,0,0,1|1,0,0]=3 1593 B12R1.264 CC(=O)C(=O)COc1cccs1 b913076a77c7924647f4714a1e2872f9 [0,1,0,0,0,1|1,1,0]=4 1594 B12R1.264 CC(=O)C(=O)NCc1ccco1 1463993c0a66e22ea8a7320ed0182526 [0,1,0,0,0,1|1,0,0]=3 1595 B12R1.264 CC(=O)C(=O)NCc1cccs1 7deb0aae3425bb8ad0c2acf73da110aa [0,1,0,0,0,1|1,1,0]=4 1596 B12R1.264 CC(=O)C(=O)NCc1ccno1 de45376588588f1f0244ee2777c2e778 [0,1,0,0,0,1|2,0,0]=4 1597 B12R1.264 CC(=O)C(=O)NCc1cnco1 d1f0929bd411414c2ec2f6546005b522 [0,1,0,0,0,1|2,0,0]=4 1598 B12R1.264 CC(=O)C(=O)NCc1ncco1 7aa8240e6efa6560fc563a90a9955a1d [0,1,0,0,0,1|2,0,0]=4 1599 B12R1.264 CC(=O)C(C)NCc1ccc[nH]1 04e286644e5ad94107f6c808e59f682e [0,1,0,0,0,1|2,0,0]=4 1600 B12R1.264 CC(=O)C(C)NCc1ccco1 5ed04d239b29383a4a242eb75c9af02f [0,1,0,0,0,1|1,0,0]=3 1601 B12R1.264 CC(=O)C(C)NCc1cccs1 5cea9573895ebd6dfff1939e098d02cc [0,1,0,0,0,1|1,1,0]=4 1602 B12R1.264 CC(=O)C(C)NCc1ccno1 ea2311890f31e391ac8a8d45d392c13a [0,1,0,0,0,1|2,0,0]=4 1603 B12R1.264 CC(=O)C(C)NCc1cnco1 40110984eab50ee89cd54d845ef87f71 [0,1,0,0,0,1|2,0,0]=4 1604 B12R1.264 CC(=O)C(C)NCc1ncco1 8e59de5915a82dd40a5f9d85aaeb8e1d [0,1,0,0,0,1|2,0,0]=4 1605 B12R1.264 CC(=O)C(C)OCc1ccc[nH]1 ac54616b1c56e5017ec53f0ab4212789 [0,1,0,0,0,1|1,0,0]=3 1606 B12R1.264 CC(=O)C(C)OCc1ccco1 7fb5e58e2645fb3557688b0c531807e1 [0,1,0,0,0,1|0,0,0]=2 1607 B12R1.264 CC(=O)C(C)OCc1cccs1 69836dc3ab3238b1f7ec607a30dd354d [0,1,0,0,0,1|0,1,0]=3 1608 B12R1.264 CC(=O)C(C)OCc1ccn[nH]1 e8ae5556036ee92f57739b2a62a27a46 [0,1,0,0,0,1|2,0,0]=4 1609 B12R1.264 CC(=O)C(C)OCc1ccno1 de2131e2f2d1e681e4a1760e3bb3652a [0,1,0,0,0,1|1,0,0]=3 1610 B12R1.264 CC(=O)C(C)OCc1ccns1 92bbdd777d5dd4bece6bb25a5c871356 [0,1,0,0,0,1|1,1,0]=4 1611 B12R1.264 CC(=O)C(C)OCc1ccon1 3fe7ac3db5b06b149c13ef43b2585163 [0,1,0,0,0,1|2,0,0]=4 1612 B12R1.264 CC(=O)C(C)OCc1ccsc1 f58f3d1c8f01ac0046dc352b647448aa [0,1,0,0,0,1|2,0,0]=4 1613 B12R1.264 CC(=O)C(C)OCc1cnc[nH]1 7a22f685aa41a43b8644d11df353d22b [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.264 CC(=O)C(C)OCc1cnco1 cd826e632dc3b86c8ec243ae6c7ee8b5 [0,1,0,0,0,1|1,0,0]=3 1615 B12R1.264 CC(=O)C(C)OCc1cocn1 08b2e8a9c3edc483e580d3b808f57cea [0,1,0,0,0,1|2,0,0]=4 1616 B12R1.264 CC(=O)C(C)OCc1cscn1 75b5ab99cd1cb558dd05149ba932c51e [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.264 CC(=O)C(C)OCc1ncc[nH]1 3bf8bc08464c464a8832cf90d988b111 [0,1,0,0,0,1|2,0,0]=4 1618 B12R1.264 CC(=O)C(C)OCc1ncco1 ca0ef4a1c67462d25304f29026149178 [0,1,0,0,0,1|1,0,0]=3 1619 B12R1.264 CC(=O)C(C)OCc1nccs1 adf8e066cdec7072d2faf3d67796c8c0 [0,1,0,0,0,1|1,1,0]=4 1620 B12R1.264 CC(=O)C(C)OCc1ncno1 b4e55f88cd085c1d0569514e6f8488d9 [0,1,0,0,0,1|2,0,0]=4 1621 B12R1.264 CC(=O)C(C)OCc1nnco1 eb3990ec45e703438b7d85fc56b89fb2 [0,1,0,0,0,1|2,0,0]=4 1622 B12R1.264 CC(=O)C(C)OCn1cccn1 b54ff2ccdb652a0d48b152620890b2c6 [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.264 CC(=O)N(C)CCc1cccs1 1c9999f099c6a54703cd1e3489f23412 [0,1,0,0,0,1|1,1,0]=4 1624 B12R1.264 CC(COc1ccco1)C(=O)O 7a6f8d7051a7cf005c1a3a5df32a97dd [0,1,0,0,0,1|2,0,0]=4 1625 B12R1.264 CC(NCc1ccco1)C(=O)N 780c6fc89b682816abd42b3a51b01084 [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.264 CC(NCc1ccco1)C(=O)O c319a516f0551dc43f8198cb596ab8e1 [0,1,0,0,0,1|2,0,0]=4 1627 B12R1.264 CC(OCc1ccc[nH]1)C(=O)N 6f66af4f2cf8bc4c22fad56b794d5ff8 [0,1,0,0,0,1|2,0,0]=4 1628 B12R1.264 CC(OCc1ccc[nH]1)C(=O)O 61ba5b0a57e11c6c0adf44075c450f91 [0,1,0,0,0,1|2,0,0]=4 1629 B12R1.264 CC(OCc1ccco1)C(=O)N d42030bb0e4fcb73e85f7635f898ac64 [0,1,0,0,0,1|1,0,0]=3 1630 B12R1.264 CC(OCc1ccco1)C(=O)O ea0ec8b3d4418b5b853084248ac11705 [0,1,0,0,0,1|1,0,0]=3 1631 B12R1.264 CC(OCc1cccs1)C(=O)N d150a513f15fd1bd99e7919c92ae3316 [0,1,0,0,0,1|1,1,0]=4 1632 B12R1.264 CC(OCc1cccs1)C(=O)O 08163a009fcb3ae0d7a32b8ac5a002b4 [0,1,0,0,0,1|1,1,0]=4 1633 B12R1.264 CC(OCc1ccno1)C(=O)N 502bd4d22ae257b43f7b2d101aa34332 [0,1,0,0,0,1|2,0,0]=4 1634 B12R1.264 CC(OCc1ccno1)C(=O)O dd584e2652bb27cc3f67cbe91fa4095f [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.264 CC(OCc1cnco1)C(=O)N c9fb62d40dc4215feee58acb958be036 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.264 CC(OCc1ncco1)C(=O)N f9950bdb89e364a00deb7c40b0302f8e [0,1,0,0,0,1|2,0,0]=4 1637 B12R1.264 CC(OCc1ncco1)C(=O)O 935d80a0927f7efd7111ad7c7cd0422d [0,1,0,0,0,1|2,0,0]=4 1638 B12R1.264 C[C@@H](NCc1ccco1)C(=O)N f31462ea869ecea4a97a3a9b9af82e53 [0,1,0,0,0,1|2,0,0]=4 1639 B12R1.264 C[C@@H](NCc1ccco1)C(=O)O f66e8200ab7ca65408eb4032ac3c04cb [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.264 C[C@@H](OCc1ccc[nH]1)C(=O)N 91039797b0d6f8437bd79505203e237c [0,1,0,0,0,1|2,0,0]=4 1641 B12R1.264 C[C@@H](OCc1ccc[nH]1)C(=O)O ce50ebde7847a550a3f616c11348c149 [0,1,0,0,0,1|2,0,0]=4 1642 B12R1.264 C[C@@H](OCc1ccco1)C(=O)N 9ab2a50f4d3d08f50c8be7dc0f190450 [0,1,0,0,0,1|1,0,0]=3 1643 B12R1.264 C[C@@H](OCc1ccco1)C(=O)O 24b40db53c5ba5cfac18e494ea2c2556 [0,1,0,0,0,1|1,0,0]=3 1644 B12R1.264 C[C@@H](OCc1cccs1)C(=O)N 7404ac4978fafe274fd00577fa40fad1 [0,1,0,0,0,1|1,1,0]=4 1645 B12R1.264 C[C@@H](OCc1cccs1)C(=O)O cacac9d803e52efd56c6368eea765b6c [0,1,0,0,0,1|1,1,0]=4 1646 B12R1.264 C[C@@H](OCc1ccno1)C(=O)N 5720023486fb796d5a6a43fff01c2af9 [0,1,0,0,0,1|2,0,0]=4 1647 B12R1.264 C[C@@H](OCc1ccno1)C(=O)O 6925d6b5b182e669a839d089343eafbf [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.264 C[C@@H](OCc1cnco1)C(=O)N 0ff47dfdf279770a8c5ea8b3a470bcad [0,1,0,0,0,1|2,0,0]=4 1649 B12R1.264 C[C@@H](OCc1ncco1)C(=O)N d4e2e4d559e9ca6ccfbfc7fe7cb1f2a9 [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.264 C[C@@H](OCc1ncco1)C(=O)O 27fff620aeaf2a5375c162bbabf98bf7 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.264 C[C@H](NCc1ccco1)C(=O)N 12476a04f3182a83562d49d4ce7d224e [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.264 C[C@H](NCc1ccco1)C(=O)O dc75f5c529d6c10465091ee0f469007c [0,1,0,0,0,1|2,0,0]=4 1653 B12R1.264 C[C@H](OCc1ccc[nH]1)C(=O)N c4bb28dabf0f03fdd8aae9430ae30221 [0,1,0,0,0,1|2,0,0]=4 1654 B12R1.264 C[C@H](OCc1ccc[nH]1)C(=O)O f8708ae157c4b7a06ba0b64336368194 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.264 C[C@H](OCc1ccco1)C(=O)N 897bdfb15a03ccf3e596ced9769a900b [0,1,0,0,0,1|1,0,0]=3 1656 B12R1.264 C[C@H](OCc1ccco1)C(=O)O 0dbd1fbe414c5b9823f07ff9348cbb8b [0,1,0,0,0,1|1,0,0]=3 1657 B12R1.264 C[C@H](OCc1cccs1)C(=O)N 628129c6c7386c56c28cce1267155af8 [0,1,0,0,0,1|1,1,0]=4 1658 B12R1.264 C[C@H](OCc1cccs1)C(=O)O 5212c7f60fb0680f3018f3cc4058c232 [0,1,0,0,0,1|1,1,0]=4 1659 B12R1.264 C[C@H](OCc1ccno1)C(=O)N 0bd32c2854bf7ba3b99a5d780ed822e2 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.264 C[C@H](OCc1ccno1)C(=O)O 9fd796cda209283dd57379fdc3546967 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.264 C[C@H](OCc1cnco1)C(=O)N 03bfe2a269e36d128d9eab503759fa78 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.264 C[C@H](OCc1ncco1)C(=O)N 9d4b0accb83b7c09e84b2d4c3a8c6280 [0,1,0,0,0,1|2,0,0]=4 1663 B12R1.264 C[C@H](OCc1ncco1)C(=O)O 832ea3f4438dc70ab384581770c03318 [0,1,0,0,0,1|2,0,0]=4 1664 B12R1.264 NC(=O)C(=O)NCc1ccco1 e2d6cbd561399aa9c39b7348c0e803f1 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.264 NC(=O)C(F)NCc1ccco1 b0a315aeb8861426ad6185832cd5d3dd [0,1,0,0,0,1|2,0,0]=4 1666 B12R1.264 NC(=O)C(F)OCc1ccc[nH]1 42687bd8f2975d848d60978942208352 [0,1,0,0,0,1|2,0,0]=4 1667 B12R1.264 NC(=O)C(F)OCc1ccno1 a6b912ad9e637153931be0434cd59af4 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.264 NC(=O)C(F)OCc1cnco1 bd286ad9f30b76b61b22570f3feea248 [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.264 NC(=O)C(F)OCc1ncco1 258511d67f4701c1bd0a834c7f2f6d96 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.264 O=C(O)C(F)CNc1ccco1 47f66d077227cecf64f14590791c092c [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.264 O=C(O)C(F)OCc1ccc[nH]1 55a8816d24090e1374cf339290e5eba8 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.264 O=C(O)C(F)OCc1ccno1 e8ac97e67de01caab7068b75fb3c9b75 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.264 O=C(O)C(O)CNc1ccco1 3adfee59226b548cd1bd91b5c4bcbcc2 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.264 O=C(O)C(O)NCc1ccco1 6207fbed09c8a679c1ea59efc3aa193b [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.264 O=C(O)[C@@H](O)CNc1ccco1 9bc05dfbd9966ded5aca3d805afae0e3 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.264 O=C(O)[C@H](F)OCc1ccc[nH]1 e9845ea5908baa30e23ac64121a03e08 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.264 O=C(O)[C@H](F)OCc1ccno1 985359deedb7b876b7d7dd598b8cfaaf [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.264 O=C(O)[C@H](O)CNc1ccco1 8a3558ba898061a1b897176e7f21ec6b [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.477 BrCC(Br)COCc1ccco1 8fe9c2aa5cbb0ac8f36286437c703a48 [0,1,0,0,0,1|1,0,1]=4 1680 B12R1.477 C#CC(=O)NCCc1ccco1 acc3fec118e663ac0cbb0160e81e745a [0,1,0,0,0,1|1,0,1]=4 1681 B12R1.477 C/C(=C\I)/COCc1ccco1 9fd1638ac5dfd2596a95058cbc9ae119 [0,1,0,0,0,1|1,0,0]=3 1682 B12R1.477 C/C(=C\I)/COCc1cccs1 8370a4503b09e1e39be444666a0780c3 [0,1,0,0,0,1|1,1,0]=4 1683 B12R1.477 C/C(=C\I)/COCc1ccno1 f533aa9ed7dc67065f999a3e6409ee49 [0,1,0,0,0,1|2,0,0]=4 1684 B12R1.477 C/C(=C\I)/COCc1cnco1 7ba89aad8a7770ff97f4c513dfc3d19d [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.477 C/C(=C\I)/COCc1ncco1 35a034dedf8a69b7784b09be66aa2621 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.477 C=C(C#N)COCc1ccco1 d1947de4b737d670c931d2872bd48558 [0,1,0,0,0,1|1,0,1]=4 1687 B12R1.477 C=C(C=O)OCCc1cccs1 f25d70b30253b648d59303a9af74dd63 [0,1,0,0,0,1|0,1,1]=4 1688 B12R1.477 C=C(CC)CNCc1ccco1 de7480fb5a36c60e5b464ab1d38fd0a4 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.477 C=C(CC)COCc1ccc[nH]1 02a0124be9b4b27066f3952f748b8fbd [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.477 C=C(CC)COCc1cccs1 c720e0ce6aca4115037cf99e041d4994 [0,1,0,0,0,1|1,1,0]=4 1691 B12R1.477 C=C(CC)COCc1ccno1 8d8e78a3910866ed5dafae330dcecc7c [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.477 C=C(CC)COCc1cnco1 2e530168f215882af009b9bf76d242a7 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.477 C=C(CC)COCc1ncco1 9c7d4c3500b5b1355b67072282e4f44e [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.477 C=C(CNCc1ccco1)OC 72aaf78a67edea843054720f701edb45 [0,1,0,0,0,1|2,0,0]=4 1695 B12R1.477 C=C(CO)CNCc1ccco1 0f48fe7aa0214764fed85a48f78036ec [0,1,0,0,0,1|2,0,0]=4 1696 B12R1.477 C=C(COCc1ccc[nH]1)OC f2f7abb9ea9fcaac5c816d4d5dce987b [0,1,0,0,0,1|2,0,0]=4 1697 B12R1.477 C=C(COCc1ccco1)OC f0864796c8651abe752612368fd6077d [0,1,0,0,0,1|1,0,0]=3 1698 B12R1.477 C=C(COCc1cccs1)OC 3e4fb473b97055c43b0214605133dfda [0,1,0,0,0,1|1,1,0]=4 1699 B12R1.477 C=C(COCc1ccno1)OC a6193ef48ba78ee2780620a2b41f5e6c [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.477 C=C(COCc1cnco1)OC 5d572152623ebb06cbf71aa8e5abb48e [0,1,0,0,0,1|2,0,0]=4 1701 B12R1.477 C=C(COCc1ncco1)OC be18e41db2e4248a1a5c602b703794f8 [0,1,0,0,0,1|2,0,0]=4 1702 B12R1.477 C=CC(=O)NCCc1ccco1 1ddb9046ba07351bdd94e2a85d1031a4 [0,1,0,0,0,1|1,0,1]=4 1703 B12R1.477 C=CC(C)COCc1ccco1 d80556846c4492beb29aba12151aec3d [0,1,0,0,0,1|1,0,1]=4 1704 B12R1.477 C=CC(C)OCCc1ccco1 71675fb601220f2ddc778805c998052b [0,1,0,0,0,1|1,0,1]=4 1705 B12R1.477 CC(=CI)COCc1ccco1 6007dfd12993e01ca90ded39882d101d [0,1,0,0,0,1|1,0,0]=3 1706 B12R1.477 CC(=CI)COCc1cccs1 28139bbc86af65613b007374e8cd628e [0,1,0,0,0,1|1,1,0]=4 1707 B12R1.477 CC(=CI)COCc1ccno1 02c506ecbfaaa1936f980e8b61532bd5 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.477 CC(=CI)COCc1cnco1 83913cfecd2d09bc0ad5093f16734594 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.477 CC(=CI)COCc1ncco1 307ccad4782462dfd75313bc4f192a66 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.477 CC(C#N)COCc1ccco1 bb09c05070db1192420ade599fb3f613 [0,1,0,0,0,1|1,0,1]=4 1711 B12R1.477 CC(C=O)NCCc1ccco1 74c805978d89fb335630f3e0efc6cf33 [0,1,0,0,0,1|1,0,1]=4 1712 B12R1.477 CC(C=O)OCCc1ccc[nH]1 30bc43bc4e51acb97c75a1a1145751c8 [0,1,0,0,0,1|1,0,1]=4 1713 B12R1.477 CC(C=O)OCCc1ccco1 ab33596ad02716f50eb32de5fbdc10c2 [0,1,0,0,0,1|0,0,1]=3 1714 B12R1.477 CC(C=O)OCCc1cccs1 4c7dd0b4d4402a9c4b2306985cd740a0 [0,1,0,0,0,1|0,1,1]=4 1715 B12R1.477 CCC(=O)CNCc1ccc[nH]1 3221180a38e4641c93c4543465d8adb3 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.477 CCC(=O)CNCc1ccco1 332fbee55619f533c08ae7d9332b6766 [0,1,0,0,0,1|1,0,0]=3 1717 B12R1.477 CCC(=O)CNCc1cccs1 fa9708472910a71ebed18db35c96e0d0 [0,1,0,0,0,1|1,1,0]=4 1718 B12R1.477 CCC(=O)CNCc1ccno1 c4807466287af395d38854d8a45bbeaa [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.477 CCC(=O)CNCc1cnco1 f385aa9da5420e4c5edaecbb8175d8e5 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.477 CCC(=O)CNCc1ncco1 7fbd5fddbf93d91e151027347fcc8a00 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.477 CCC(=O)COCc1cc[nH]c1 fa7d9c089e529d4e0108123119c1b733 [0,1,0,0,0,1|2,0,0]=4 1722 B12R1.477 CCC(=O)COCc1ccc[nH]1 f686d906313a26ba2c68978346cdd9ad [0,1,0,0,0,1|1,0,0]=3 1723 B12R1.477 CCC(=O)COCc1ccco1 68361409d1dbfb6e8674ce6dc25f290a [0,1,0,0,0,1|0,0,0]=2 1724 B12R1.477 CCC(=O)COCc1cccs1 18e63268f947d8a64791e46423b910f1 [0,1,0,0,0,1|0,1,0]=3 1725 B12R1.477 CCC(=O)COCc1ccn[nH]1 561fee4d1e338a61f1c759240bbc0f11 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.477 CCC(=O)COCc1ccno1 b8d73e0e804615a94e2ddcad684225c6 [0,1,0,0,0,1|1,0,0]=3 1727 B12R1.477 CCC(=O)COCc1ccns1 f748084dc292a1fee0432edb359145ee [0,1,0,0,0,1|1,1,0]=4 1728 B12R1.477 CCC(=O)COCc1ccon1 7626c2cb9cfdee99fede219d9b6d3379 [0,1,0,0,0,1|2,0,0]=4 1729 B12R1.477 CCC(=O)COCc1ccsc1 f35525416bfa554d4ceefee8213fe2cb [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.477 CCC(=O)COCc1ccsn1 c469da14393a0f0525e5018753bdfbaf [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.477 CCC(=O)COCc1cnc[nH]1 1cb43b3157d5415ad891af84581c1bc9 [0,1,0,0,0,1|2,0,0]=4 1732 B12R1.477 CCC(=O)COCc1cnco1 6b01a7cdd6a98e45ee18574e35d7232e [0,1,0,0,0,1|1,0,0]=3 1733 B12R1.477 CCC(=O)COCc1cncs1 41d3b0e432be430fb2a939a098afdfc9 [0,1,0,0,0,1|1,1,0]=4 1734 B12R1.477 CCC(=O)COCc1cocn1 6d59998f171390b917675b20bbe92204 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.477 CCC(=O)COCc1cscn1 5d89f6bb2e9d50220da49645dd779fd0 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.477 CCC(=O)COCc1ncc[nH]1 79ef75d9eacc32fe82eb99798f1daf20 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.477 CCC(=O)COCc1ncco1 ceeb0bcef2509aeffa2c9022fbf77e97 [0,1,0,0,0,1|1,0,0]=3 1738 B12R1.477 CCC(=O)COCc1nccs1 9a2fb8503586a9962366526422a7f124 [0,1,0,0,0,1|1,1,0]=4 1739 B12R1.477 CCC(=O)COCc1ncno1 855f39e8dcf316136dac8c773247f660 [0,1,0,0,0,1|2,0,0]=4 1740 B12R1.477 CCC(=O)COCc1nnco1 5ef20756078949fedbb2a2ae3034ce48 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.477 CCC(=O)COCn1cccn1 f37788dc15a974d262a4a213436437c9 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.477 CCC(=O)NCCc1ccco1 a57a3f81596031473f72e71516ffc990 [0,1,0,0,0,1|1,0,0]=3 1743 B12R1.477 CCC(=O)NCCc1cccs1 fc6c794fcf581c196e6509dcd1a8b636 [0,1,0,0,0,1|1,1,0]=4 1744 B12R1.477 CCC(=O)OCNc1ccns1 4833eb73175fa6f080c377a25de94b16 [0,1,0,0,0,1|1,1,0]=4 1745 B12R1.477 CCC(=O)OCNc1ccsc1 48ee137d296cb74a8873fd1200982c5d [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.477 CCC(=O)OCOc1c[nH]cn1 70411d9f534680a83f1485c50d49b2de [0,1,0,0,0,1|2,0,0]=4 1747 B12R1.477 CCC(=O)OCOc1ccco1 3def9ac8a660063bb39db21da77cdd03 [0,1,0,0,0,1|0,0,0]=2 1748 B12R1.477 CCC(=O)OCOc1cccs1 3448581a546aebfa49a4e73797b52cea [0,1,0,0,0,1|0,1,0]=3 1749 B12R1.477 CCC(=O)OCOc1ccn[nH]1 0f17ba5fcad4a8ff3a53495c8a17377a [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.477 CCC(=O)OCOc1ccsc1 597ef118c6b3b7b3c1262ec1b76623b9 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.477 CCC(=O)OCOc1nccs1 3bf5e2de3bf64df13b48582d86f573a4 [0,1,0,0,0,1|1,1,0]=4 1752 B12R1.477 CCC(=O)OCOn1cccn1 f476ea842ae83e25d2c6864d6c7dacb4 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.477 CCC(C)COCc1ccco1 303c2b101f181a81a7ff76774d5bfe70 [0,1,0,0,0,1|1,0,1]=4 1754 B12R1.477 CCC(C)OCCc1ccco1 e75be3de9ef3987343b1c3943396237d [0,1,0,0,0,1|1,0,1]=4 1755 B12R1.477 CCS(=O)CCOc1ccco1 e2a948ec5b367d785bf7bb0c11376c57 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.477 CC[C@@H](C)COCc1ccco1 2aee43d426a798ea5a59dcd82dcccceb [0,1,0,0,0,1|1,0,1]=4 1757 B12R1.477 CC[C@H](C)COCc1ccco1 4c718f5f61fa49c8d72b38b16c9816ff [0,1,0,0,0,1|1,0,1]=4 1758 B12R1.477 CN(C=O)CCCc1ccco1 72656ee95f6fa4e99768c1cc908e7579 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.477 CNC(=O)CCNc1ccco1 33b427b60e829153a014a8f41d150ecc [0,1,0,0,0,1|1,0,0]=3 1760 B12R1.477 CNC(=O)CCNc1cccs1 262d9e3c87740f9b1c53d09115bff5ae [0,1,0,0,0,1|1,1,0]=4 1761 B12R1.477 CNC(=O)CCNc1ccno1 785ec75d16933a820b96c2b3db8c6c8f [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.477 CNC(=O)CCNc1ncco1 926e9a1072cfbccefb9c700f982ec8da [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.477 CNC(=O)CCOc1ccco1 2c1c050d84fb3852f37d6f344af2148c [0,1,0,0,0,1|1,0,0]=3 1764 B12R1.477 CNC(=O)CCOc1cccs1 0d55e337d2d7cad9b4bea17161db3bc6 [0,1,0,0,0,1|1,1,0]=4 1765 B12R1.477 CNC(=O)CNCc1ccc[nH]1 350e4256c2204893423e536c7844436f [0,1,0,0,0,1|2,0,0]=4 1766 B12R1.477 CNC(=O)CNCc1ccco1 5568df0d9e2d743ce8d86888b1cb214e [0,1,0,0,0,1|1,0,0]=3 1767 B12R1.477 CNC(=O)CNCc1cccs1 00b6f444a892a191ed45d5b131bf6d54 [0,1,0,0,0,1|1,1,0]=4 1768 B12R1.477 CNC(=O)CNCc1ccno1 7721faf0dd5b98dfcacb8e5ed01a1530 [0,1,0,0,0,1|2,0,0]=4 1769 B12R1.477 CNC(=O)CNCc1cnco1 71b5e7aefbc81058ca8d016ea18a3425 [0,1,0,0,0,1|2,0,0]=4 1770 B12R1.477 CNC(=O)CNCc1ncco1 04ce5fc05a6c74a3f8913dc0e28fd800 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.477 CNC(=O)COCc1cc[nH]c1 ce5ca1c7ae4c1bf121626cc8f5e0c76d [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.477 CNC(=O)COCc1ccc[nH]1 0f9329286fb3906a729f960648927b21 [0,1,0,0,0,1|1,0,0]=3 1773 B12R1.477 CNC(=O)COCc1ccco1 998e2f835daa6cd19c743c5b2dcaedfa [0,1,0,0,0,1|0,0,0]=2 1774 B12R1.477 CNC(=O)COCc1cccs1 47b2c280ca95ad9474be02d63bfeaec9 [0,1,0,0,0,1|0,1,0]=3 1775 B12R1.477 CNC(=O)COCc1ccn[nH]1 562197acc03db27d232a4f8f32369cac [0,1,0,0,0,1|2,0,0]=4 1776 B12R1.477 CNC(=O)COCc1ccno1 e9aa6abb0b2f437b17ef5a85e36d9b1a [0,1,0,0,0,1|1,0,0]=3 1777 B12R1.477 CNC(=O)COCc1ccns1 8dfd924fd73c0622cae6ecf45ffd7b5d [0,1,0,0,0,1|1,1,0]=4 1778 B12R1.477 CNC(=O)COCc1ccoc1 72c9c11db5b7acca9a4c23a8ab994d44 [0,1,0,0,0,1|2,0,0]=4 1779 B12R1.477 CNC(=O)COCc1ccon1 2fe4627cd846fc535ef115a818a0d458 [0,1,0,0,0,1|2,0,0]=4 1780 B12R1.477 CNC(=O)COCc1ccsc1 ab68d16bfa96a57eb436ee9708d70d2c [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.477 CNC(=O)COCc1ccsn1 1ee4fe174152973b850ef46b41a12e5e [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.477 CNC(=O)COCc1cnc[nH]1 dc9e79be8d22aa32ec24de89de0ad071 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.477 CNC(=O)COCc1cnco1 d650dba91ddce4a36c8ddfd787d2f102 [0,1,0,0,0,1|1,0,0]=3 1784 B12R1.477 CNC(=O)COCc1cocn1 0ac0b8bdc6724a1bd0b839b6276c24bf [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.477 CNC(=O)COCc1cscn1 60741b25c6bb1921101f354a0e479738 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.477 CNC(=O)COCc1ncc[nH]1 bd1d5fe049367741117c4572707357f2 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.477 CNC(=O)COCc1ncco1 3953e62f9550c582bc13bd0917a8d94e [0,1,0,0,0,1|1,0,0]=3 1788 B12R1.477 CNC(=O)COCc1nccs1 e8928c882dde622fdd4f9ceb1336fa2e [0,1,0,0,0,1|1,1,0]=4 1789 B12R1.477 CNC(=O)COCc1ncno1 fedff29f8cb4bf299dfde00432f2b7e9 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.477 CNC(=O)COCc1nnco1 6130fd519a35705a2fb21192d329141a [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.477 CNC(=O)COCn1cccn1 36e5bda28eac79a64c3ce5816335be09 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.477 COC(=O)CCNc1ccco1 e0e8335b06d744a1b449a668f80683a2 [0,1,0,0,0,1|1,0,0]=3 1793 B12R1.477 COC(=O)CCNc1cccs1 aaa9cfd402dcc2f0870ffeb2e27cdb33 [0,1,0,0,0,1|1,1,0]=4 1794 B12R1.477 COC(=O)CCNc1ccno1 188b6557cbaf8cbb63bae3f5c0567ced [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.477 COC(=O)CCNc1ncco1 564c4aa0fd0cd06a056f7a55919daa93 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.477 COC(=O)CCOc1ccco1 649aeb6738bc8c896167b5648b168d5d [0,1,0,0,0,1|1,0,0]=3 1797 B12R1.477 COC(=O)CCOc1cccs1 664ac22ce41f5e45b386b1395c7eb518 [0,1,0,0,0,1|1,1,0]=4 1798 B12R1.477 COC(=O)CNCc1ccc[nH]1 dd41e28ea929e66af9ea0d101dfdd982 [0,1,0,0,0,1|2,0,0]=4 1799 B12R1.477 COC(=O)CNCc1ccco1 2bf3ed1f5d44112ec1c684ec23a4918a [0,1,0,0,0,1|1,0,0]=3 1800 B12R1.477 COC(=O)CNCc1cccs1 01bbb1df4d37a3c8e183d57b1b059ae1 [0,1,0,0,0,1|1,1,0]=4 1801 B12R1.477 COC(=O)CNCc1ccno1 d135e19f93bf30312aef35200b55d1ed [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.477 COC(=O)CNCc1cnco1 3598916c9b260aca5fb271b9e1fecb11 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.477 COC(=O)CNCc1ncco1 e333a4656cc09e339d1b06f389312f40 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.477 COC(=O)COCc1cc[nH]c1 df5caccfc2d2c597bab44f0c9a12d4b5 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.477 COC(=O)COCc1ccc[nH]1 17206b59383caa5cb2a5dd4187c8aac8 [0,1,0,0,0,1|1,0,0]=3 1806 B12R1.477 COC(=O)COCc1ccco1 185a389c71177752b8db1093a565458c [0,1,0,0,0,1|0,0,0]=2 1807 B12R1.477 COC(=O)COCc1cccs1 7313aa22ef222247eb9faa1630bead64 [0,1,0,0,0,1|0,1,0]=3 1808 B12R1.477 COC(=O)COCc1ccn[nH]1 89da11b90b7f74c66a1de8ae9a66fdda [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.477 COC(=O)COCc1ccno1 15498348e4f5f35b9515226d0a984211 [0,1,0,0,0,1|1,0,0]=3 1810 B12R1.477 COC(=O)COCc1ccns1 dcb89cf1dafa53e6d08efbf495f02296 [0,1,0,0,0,1|1,1,0]=4 1811 B12R1.477 COC(=O)COCc1ccoc1 6b0a3aa828cd4d5c754dad7354fa29e6 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.477 COC(=O)COCc1ccon1 c20062fbfb99a688640c70bf87c4b86e [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.477 COC(=O)COCc1ccsc1 dd774fa526a1ce75d2bdd3886de44f5d [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.477 COC(=O)COCc1ccsn1 e9743a067d41355b036b45a7d76a8083 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.477 COC(=O)COCc1cnc[nH]1 4e1f2a27c76358fb309c0e183b2474f3 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.477 COC(=O)COCc1cnco1 d779b1e02ac688be5f32e8f00648ff46 [0,1,0,0,0,1|1,0,0]=3 1817 B12R1.477 COC(=O)COCc1cncs1 0d694ad3cb759a6e9156e1fd7aa86bf7 [0,1,0,0,0,1|1,1,0]=4 1818 B12R1.477 COC(=O)COCc1cocn1 744f606dadbd654185db37c77bc908f2 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.477 COC(=O)COCc1cscn1 6c19dd2734d0618f34ca651a9ea1a9d1 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.477 COC(=O)COCc1ncc[nH]1 830912d20bc251105d2acb6a12548f73 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.477 COC(=O)COCc1ncco1 b6480ba64dd750e1a310cd3c5bba6eb9 [0,1,0,0,0,1|1,0,0]=3 1822 B12R1.477 COC(=O)COCc1nccs1 6447c44687eacdadcb685b819f978ebf [0,1,0,0,0,1|1,1,0]=4 1823 B12R1.477 COC(=O)COCc1ncno1 23216886643fde353c2811a825a4c306 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.477 COC(=O)COCc1nnco1 d5c8965a3117bb961edbe9ccfc48a7d0 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.477 COC(=O)COCn1cccn1 a9ded25ede65b2222b803b8a5afd5c7e [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.477 COC(=O)OCNc1cc[nH]n1 c68e3e889900755f4cde5fd5c021af0f [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.477 COC(=O)OCNc1ccns1 bee4a98cbd04b45a6437b0d7f5a475c0 [0,1,0,0,0,1|1,1,0]=4 1828 B12R1.477 COC(=O)OCNc1ccsc1 cb4030fec183015b341d6b6b545ee2c5 [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.477 COC(=O)OCOc1c[nH]cn1 b16c64d93bb78a36b7d331b58436eb01 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.477 COC(=O)OCOc1ccco1 4d7165c5ec76885d8ea5fd3ff931bb7c [0,1,0,0,0,1|0,0,0]=2 1831 B12R1.477 COC(=O)OCOc1ccn[nH]1 9f69eeb9e650b748b45e4ba7e86c1104 [0,1,0,0,0,1|2,0,0]=4 1832 B12R1.477 COC(=O)OCOc1ccsc1 1b45b7bcd809bae179f3c4ff5aac86c7 [0,1,0,0,0,1|2,0,0]=4 1833 B12R1.477 COC(=O)OCOc1nccs1 9776e04c40cb8ac8c3e2a335e126353c [0,1,0,0,0,1|1,1,0]=4 1834 B12R1.477 COC(=O)OCOn1cccn1 153f3f83cc976f157cf31c671ebfa268 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.477 COC(C)COCc1ccco1 12ba039dfb0a47b0e51cfc3e84956fe3 [0,1,0,0,0,1|0,0,2]=4 1836 B12R1.477 CO[C@@H](C)COCc1ccco1 57ebb84002f865d1e33272e352f206fc [0,1,0,0,0,1|0,0,2]=4 1837 B12R1.477 CO[C@H](C)COCc1ccco1 6a824a2804be0a7ad7d3d9ee81f1055c [0,1,0,0,0,1|0,0,2]=4 1838 B12R1.477 C[C@H](C=O)NCCc1ccco1 9a950faafafd4ac5cfe77991e35bd62b [0,1,0,0,0,1|1,0,1]=4 1839 B12R1.477 C[C@H](C=O)OCCc1ccc[nH]1 e79b69996d6d252ee209e41d854dcbd5 [0,1,0,0,0,1|1,0,1]=4 1840 B12R1.477 C[C@H](C=O)OCCc1ccco1 bf9fd42601f306211d69a6535e282ba0 [0,1,0,0,0,1|0,0,1]=3 1841 B12R1.477 C[C@H](C=O)OCCc1cccs1 08ac36471ede25a73727c6f71a5c936b [0,1,0,0,0,1|0,1,1]=4 1842 B12R1.477 Cl/C=C(\Cl)/COCc1ccco1 717880f9ddf8b56b6c1030f13469a8f3 [0,1,0,0,0,1|1,0,1]=4 1843 B12R1.477 ClCC(Cl)COCc1ccco1 4cb00c189332948c3f471aeeac59528c [0,1,0,0,0,1|1,0,1]=4 1844 B12R1.477 O=C(CCNc1ccco1)NO 43b578ed31a826b423d864d6cf1b45aa [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.477 O=C(CF)NCCc1ccco1 a5468b77bbeee8125a1cf82982213246 [0,1,0,0,0,1|1,0,0]=3 1846 B12R1.477 O=C(CF)NCCc1cccs1 8ad0a550d473de8f84056b481bfae7f4 [0,1,0,0,0,1|1,1,0]=4 1847 B12R1.477 O=C(CNCc1ccco1)NO b5209eb00d5583d9ef71edc99d9eaa76 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.477 O=C(CO)CNCc1ccc[nH]1 cb70c0c9bad6f9c6747fe4d167164893 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.477 O=C(CO)CNCc1ccco1 d8cc6500cc77cfd6bde88c6313aea249 [0,1,0,0,0,1|1,0,0]=3 1850 B12R1.477 O=C(CO)CNCc1cccs1 1999440da216a8c47c747f181d5094af [0,1,0,0,0,1|1,1,0]=4 1851 B12R1.477 O=C(CO)CNCc1ccno1 d5a8bc2780b9b0bde70cf42f4f4df800 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.477 O=C(CO)CNCc1cnco1 741ec2d9167a12c96abd983c41ff05b3 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.477 O=C(CO)CNCc1ncco1 1e26cfb9808fe5d0aca2ab36336d1226 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.477 O=C(CO)NCCc1ccco1 ad96d88f7253f10830cfafa1d4f43183 [0,1,0,0,0,1|1,0,0]=3 1855 B12R1.477 O=C(CO)NCCc1cccs1 9f2e0da32d88862d93c942c60f2d338a [0,1,0,0,0,1|1,1,0]=4 1856 B12R1.477 O=C(CS)NCCc1ccco1 3467c703b66b0c74a5d31bad2d6c4232 [0,1,0,0,0,1|1,0,0]=3 1857 B12R1.477 O=C(CS)NCCc1cccs1 727fb833bd1797230419b932f1b67fc0 [0,1,0,0,0,1|1,1,0]=4 1858 B12R1.477 O=CC(=O)NCCc1ccco1 748bbf1293f222141b476fa3de2650f5 [0,1,0,0,0,1|1,0,1]=4 1859 B12R1.477 OCC(O)COCc1ccco1 1f8a0a440267fabdc63fba6eae15bcf4 [0,1,0,0,0,1|0,0,2]=4 1860 B12R1.477 OC[C@@H](O)COCc1ccco1 bf0a7dff329874ed6eb823666db28855 [0,1,0,0,0,1|0,0,2]=4 1861 B12R1.477 OC[C@H](O)COCc1ccco1 4bc40b92917b1092c4c25a31f588db49 [0,1,0,0,0,1|0,0,2]=4 1862 B12R1.477 SCC(S)COCc1ccco1 dfc6a6f29be0269b361c176a03b3dc93 [0,1,0,0,0,1|0,1,1]=4 1863 B12R1.890 CC(C)(Br)COCc1ccco1 bdf0d68e4868d5520010802e60c0f7be [0,1,0,0,0,1|1,0,1]=4 1864 B12R1.890 CC(C)(C)COCc1ccco1 be5a099afe0694b9ba102988dcbca8db [0,1,0,0,0,1|1,0,1]=4 1865 B12R1.890 CC(C)(F)COCc1ccco1 c03f884b51a2c34e2eedb0bd04c82ce4 [0,1,0,0,0,1|1,0,1]=4 1866 B12R1.890 CC(C)(O)COCc1ccco1 00c9339c691d6e8f8d01425627bcb49a [0,1,0,0,0,1|0,0,2]=4 1867 B12R1.890 CC(C)(S)COCc1ccco1 850773e49732ea991555fdf30641425e [0,1,0,0,0,1|0,1,1]=4 1868 B12R1.890 CC(F)(F)COCc1ccco1 e416f2671128bfbaa7606d666b546756 [0,1,0,0,0,1|1,0,1]=4 1869 B12R1.890 CS(=O)(=O)CCNc1ccco1 ac277dc8859ba2b36f198b835ddc7ff9 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.890 CS(=O)(=O)CCOc1ccco1 3366e14ca2a5524edf6f7b4aa99617fb [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.890 CS(=O)(=O)CNCc1ccco1 ea418f95aa4f62ac4867995af52e4117 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.890 CS(=O)(=O)COCc1ccc[nH]1 6d92c9ee2dd87c4711353a0f24123eff [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.890 CS(=O)(=O)COCc1ccco1 6c68a39e38b6b84f0d75fc1761bf4e80 [0,1,0,0,0,1|1,0,0]=3 1874 B12R1.890 CS(=O)(=O)COCc1ccno1 3da66af26e7179123bd16740f955342b [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.890 CS(=O)(=O)COCc1ncco1 391ab9e135ea2b24ac3d8ae417dac6d4 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.890 O=S(=O)(Cl)OCOc1ccco1 687bacca58828b863383b6f4e9d67573 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.15 C#CC(=O)NC(C)c1ccco1 037985a6b93f5cc7f98cce9f8bfaef52 [0,2,0,0,0,0|1,0,1]=4 1878 B12R1.15 C#CC(=O)N[C@H](C)c1ccco1 2b47e6f2e8001a2f1db4674d58ecab02 [0,2,0,0,0,0|1,0,1]=4 1879 B12R1.15 C=CC(=O)NC(C)c1ccco1 d6511b6591fbf7364aea25c0308e16df [0,2,0,0,0,0|1,0,1]=4 1880 B12R1.15 C=CC(=O)N[C@H](C)c1ccco1 f2898a4e8a85eec5ebd10819eda1d95f [0,2,0,0,0,0|1,0,1]=4 1881 B12R1.15 C=CC(C)OC(C)c1ccco1 234a7daf5bdb514d2dae4adba90fe2dd [0,2,0,0,0,0|1,0,1]=4 1882 B12R1.15 C=CC(C)O[C@H](C)c1ccco1 fa061f8ee9cfdef7fc36f27d3a713a81 [0,2,0,0,0,0|1,0,1]=4 1883 B12R1.15 CC(C=O)NC(C)c1ccco1 212375a979905f1f74364686ef243419 [0,2,0,0,0,0|1,0,1]=4 1884 B12R1.15 CC(C=O)N[C@H](C)c1ccco1 3e0d721793a5bb96a85a870947b03416 [0,2,0,0,0,0|1,0,1]=4 1885 B12R1.15 CC(C=O)OC(C)c1ccco1 0dfc9f8e114baec3794d27f5760a32e4 [0,2,0,0,0,0|0,0,1]=3 1886 B12R1.15 CC(C=O)OC(C)c1cccs1 e2497777d3723fd65f14f21acf9008e8 [0,2,0,0,0,0|0,1,1]=4 1887 B12R1.15 CC(C=O)OC(C)c1ncco1 a097f08cf5d26924cdab62fd374e86c2 [0,2,0,0,0,0|1,0,1]=4 1888 B12R1.15 CC(C=O)O[C@@H](C)c1cccs1 dd4742a4fb77975fdf0730a8a5e5d5fe [0,2,0,0,0,0|0,1,1]=4 1889 B12R1.15 CC(C=O)O[C@H](C)c1ccco1 59c73190e977492e534a6376fd8485a0 [0,2,0,0,0,0|0,0,1]=3 1890 B12R1.15 CC(C=O)O[C@H](C)c1cccs1 fb469374ba7a8fcc3c007e9fb948cae7 [0,2,0,0,0,0|0,1,1]=4 1891 B12R1.15 CC(NC(=O)C=O)c1ccco1 0003e83d1ab23fa96fe0e09e9dcbf06c [0,2,0,0,0,0|1,0,1]=4 1892 B12R1.15 CC(NC(=O)CF)c1ccco1 5e633ec784282814b9f5c4e2597cc847 [0,2,0,0,0,0|1,0,0]=3 1893 B12R1.15 CC(NC(=O)CF)c1cccs1 fab18c23ec86ba9f6d6acdcdd07513b3 [0,2,0,0,0,0|1,1,0]=4 1894 B12R1.15 CC(NC(=O)CF)c1ncco1 f38fcc871f02e241109e3e980dd7326d [0,2,0,0,0,0|2,0,0]=4 1895 B12R1.15 CC(NC(=O)CO)c1ccco1 b272aaefa5de1b54c344dea91536a18c [0,2,0,0,0,0|1,0,0]=3 1896 B12R1.15 CC(NC(=O)CO)c1cccs1 129082182470a76e12c7f0519c8b1bcf [0,2,0,0,0,0|1,1,0]=4 1897 B12R1.15 CC(NC(=O)CO)c1ncco1 71171a039f0d5e0da4293abf1f239041 [0,2,0,0,0,0|2,0,0]=4 1898 B12R1.15 CC(NC(=O)CS)c1ccco1 7c057b94321345652be575f5e6b2176e [0,2,0,0,0,0|1,0,0]=3 1899 B12R1.15 CC(NC(=O)CS)c1cccs1 610b150bc8ed74c48745df62a0e7a63c [0,2,0,0,0,0|1,1,0]=4 1900 B12R1.15 CC(NC(=O)CS)c1ncco1 ad13cc37e7df2e3841f5378aa7530e70 [0,2,0,0,0,0|2,0,0]=4 1901 B12R1.15 CC(N[C@H](C)C=O)c1ccco1 d8fec9e4b94c6342120bc4f717765ad6 [0,2,0,0,0,0|1,0,1]=4 1902 B12R1.15 CC(O[C@H](C)C=O)c1ccco1 25dacb7761a149c38471eb2787fa8a9b [0,2,0,0,0,0|0,0,1]=3 1903 B12R1.15 CC(O[C@H](C)C=O)c1cccs1 9059440165bb3a8f9ee17f4307856f6c [0,2,0,0,0,0|0,1,1]=4 1904 B12R1.15 CC(O[C@H](C)C=O)c1ncco1 9f14ef8d463c98311f8e1b9e10af2584 [0,2,0,0,0,0|1,0,1]=4 1905 B12R1.15 CCC(=O)NC(C)c1ccco1 00d62021e0fd2bcc7006d596e064ba6b [0,2,0,0,0,0|1,0,0]=3 1906 B12R1.15 CCC(=O)NC(C)c1cccs1 acbf5a91884b81a7ea759b341a07e49f [0,2,0,0,0,0|1,1,0]=4 1907 B12R1.15 CCC(=O)NC(C)c1ncco1 d0fb1ff5a4156bf185d8c48000aeeb6a [0,2,0,0,0,0|2,0,0]=4 1908 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 e4f53b61c63e64d714bfd9376bd068ed [0,2,0,0,0,0|1,1,0]=4 1909 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 dc83c0eb3e3d4a456d7d8dad5a07d713 [0,2,0,0,0,0|1,0,0]=3 1910 B12R1.15 CCC(=O)N[C@H](C)c1cccs1 d4dcab01b4a97dff17f0bae3b4c474f8 [0,2,0,0,0,0|1,1,0]=4 1911 B12R1.15 CCC(C)OC(C)c1ccco1 bc46d8fa8e7bd9309d8bcffd4ba74cc2 [0,2,0,0,0,0|1,0,1]=4 1912 B12R1.15 CCC(C)O[C@H](C)c1ccco1 46d85a570e95008000e90cd65e40bc2e [0,2,0,0,0,0|1,0,1]=4 1913 B12R1.15 C[C@@H](NC(=O)C=O)c1ccco1 aab2d6bbb3bdbe40d4eff42b01e40323 [0,2,0,0,0,0|1,0,1]=4 1914 B12R1.15 C[C@@H](NC(=O)CF)c1ccco1 b4c6293c435fc4b4ffb1a509699e6474 [0,2,0,0,0,0|1,0,0]=3 1915 B12R1.15 C[C@@H](NC(=O)CF)c1cccs1 5770a592818014f4558d2a066318ff10 [0,2,0,0,0,0|1,1,0]=4 1916 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 b0705173842a282141b325a99d26a5c8 [0,2,0,0,0,0|1,0,0]=3 1917 B12R1.15 C[C@@H](NC(=O)CO)c1cccs1 40b0a56c3a707c17286db487d669e6c2 [0,2,0,0,0,0|1,1,0]=4 1918 B12R1.15 C[C@@H](NC(=O)CS)c1ccco1 e5a2a0ac4db12c038403570952bbabfe [0,2,0,0,0,0|1,0,0]=3 1919 B12R1.15 C[C@@H](NC(=O)CS)c1cccs1 cd704498f3cdb32587286c6b691d424d [0,2,0,0,0,0|1,1,0]=4 1920 B12R1.15 C[C@H](C=O)N[C@H](C)c1ccco1 c464d6c6e5e95539f24f3cfebeaa3712 [0,2,0,0,0,0|1,0,1]=4 1921 B12R1.15 C[C@H](C=O)O[C@@H](C)c1cccs1 50526a80b2f8b56bffa85e88edc226d0 [0,2,0,0,0,0|0,1,1]=4 1922 B12R1.15 C[C@H](C=O)O[C@H](C)c1ccco1 249b7f6d80a59bff48fb387e882bfe71 [0,2,0,0,0,0|0,0,1]=3 1923 B12R1.15 C[C@H](C=O)O[C@H](C)c1cccs1 a15573ae5057e24d1548736b5433fd74 [0,2,0,0,0,0|0,1,1]=4 1924 B12R1.15 C[C@H](NC(=O)CF)c1cccs1 9802cf6dbf46f4c52a5e452b7cff86c5 [0,2,0,0,0,0|1,1,0]=4 1925 B12R1.15 C[C@H](NC(=O)CO)c1cccs1 bb3591181a06fa905b64da13d463993b [0,2,0,0,0,0|1,1,0]=4 1926 B12R1.15 C[C@H](NC(=O)CS)c1cccs1 f6c701a18a49c7be055361a3c8c539d5 [0,2,0,0,0,0|1,1,0]=4 1927 B12R1.26 C#CC(=O)NCc1cc(co1)C 67ea42fad3f38d2ba370060e73165976 [0,2,0,0,0,0|1,0,1]=4 1928 B12R1.26 C#CC(=O)NCc1ccc(o1)Br 5e164a38646fd0c15b42590b91933427 [0,2,0,0,0,0|1,0,1]=4 1929 B12R1.26 C#CC(=O)NCc1ccc(o1)C 71213ce748ca71b1e2dc93e62f0dad6c [0,2,0,0,0,0|1,0,1]=4 1930 B12R1.26 C#CC(C)OCc1ccc(o1)C efcda783904e51303b18ff67cbe5f39f [0,2,0,0,0,0|1,0,1]=4 1931 B12R1.26 C=C(C=O)OCc1cc(cs1)Br fce4f3bb3dd964861f226a17bb42ee3c [0,2,0,0,0,0|0,1,1]=4 1932 B12R1.26 C=C(C=O)OCc1cc(no1)Br 621cd3414aaebc7ed820ce5fbabee7d9 [0,2,0,0,0,0|1,0,1]=4 1933 B12R1.26 C=C(C=O)OCc1cc(no1)C c10612fd9fe94dc433bbb762624f861c [0,2,0,0,0,0|1,0,1]=4 1934 B12R1.26 C=C(C=O)OCc1ccc(s1)Br cc2badd0d5fa7a509aae91a952ae6b6c [0,2,0,0,0,0|0,1,1]=4 1935 B12R1.26 C=C(C=O)OCc1ccc(s1)Cl d8adf4b2023a473ee5b2ebd6781641e7 [0,2,0,0,0,0|0,1,1]=4 1936 B12R1.26 C=C(C=O)OCc1cnc(o1)C 7d674b3bc05a20f70e12a27146c2a2bf [0,2,0,0,0,0|1,0,1]=4 1937 B12R1.26 C=C(C=O)OCc1coc(=O)o1 3d5a8a2576da861bb038c08196bab954 [0,2,0,0,0,0|1,0,1]=4 1938 B12R1.26 C=C(C=O)OCc1ncc(o1)Br a26162fc27c2157a31d86f3d3781dbb2 [0,2,0,0,0,0|1,0,1]=4 1939 B12R1.26 C=C(C=O)OCc1ncc(o1)C 5ea781d0ab265a003d5ccd6ffe8566c2 [0,2,0,0,0,0|1,0,1]=4 1940 B12R1.26 C=CC(=O)NCc1cc(co1)C f1294ed3307086bbf85e2ec5a34861d2 [0,2,0,0,0,0|1,0,1]=4 1941 B12R1.26 C=CC(=O)NCc1ccc(o1)Br ac5802f73f1ca2924756b8e7917b1060 [0,2,0,0,0,0|1,0,1]=4 1942 B12R1.26 C=CC(=O)NCc1ccc(o1)C 8ec807f40d676fc257138fd4cd3d02fd [0,2,0,0,0,0|1,0,1]=4 1943 B12R1.26 C=CC(C)OCc1cc(co1)Br 06bcb3c3b9511a9304c78f171a7893a5 [0,2,0,0,0,0|1,0,1]=4 1944 B12R1.26 C=CC(C)OCc1ccc(o1)Br c83d938152ab63aa83912eede1a5a83b [0,2,0,0,0,0|1,0,1]=4 1945 B12R1.26 C=CC(C)OCc1ccc(o1)C 75e5cfcff998625023d8a7296cb55cd1 [0,2,0,0,0,0|1,0,1]=4 1946 B12R1.26 CC(C=O)NCc1ccc(o1)Br 34305039d554752c772dca8101ecda45 [0,2,0,0,0,0|1,0,1]=4 1947 B12R1.26 CC(C=O)OCC1C=CC(=O)O1 f11fe7c6a7d65a7440e161ead99594b9 [0,2,0,0,0,0|0,0,2]=4 1948 B12R1.26 CC(C=O)OC[C@@H]1C=CC(=O)O1 0266c45439b8bd202006611f8698e578 [0,2,0,0,0,0|0,0,2]=4 1949 B12R1.26 CC(C=O)OCc1cc(co1)Br 11ea0c9005066635ea442f3687288bad [0,2,0,0,0,0|0,0,1]=3 1950 B12R1.26 CC(C=O)OCc1cc(cs1)Br 9925b8b42dc5f2d1517347594e1ee640 [0,2,0,0,0,0|0,1,1]=4 1951 B12R1.26 CC(C=O)OCc1cc(cs1)Cl 131a30f346e7880cad4a36d0be27cf0d [0,2,0,0,0,0|0,1,1]=4 1952 B12R1.26 CC(C=O)OCc1cc(no1)Br 9b1316f348d452fc6706c6f76973b856 [0,2,0,0,0,0|1,0,1]=4 1953 B12R1.26 CC(C=O)OCc1ccc(o1)Br 3a0a6bba918fcb3e6370a10e61d04d87 [0,2,0,0,0,0|0,0,1]=3 1954 B12R1.26 CC(C=O)OCc1ccc(s1)Br d1aee984a0ed6abf1781db55ac7d0e71 [0,2,0,0,0,0|0,1,1]=4 1955 B12R1.26 CC(C=O)OCc1ccc(s1)Cl 24ef3fd39e33cd5ef2b84b2546b360f0 [0,2,0,0,0,0|0,1,1]=4 1956 B12R1.26 CC(C=O)OCc1ccc(s1)F fc3118b26829644ccdca95b51dedc644 [0,2,0,0,0,0|0,1,1]=4 1957 B12R1.26 CC(C=O)OCc1coc(=O)o1 bdf3412e5fc938c7262297abc132e4d4 [0,2,0,0,0,0|1,0,1]=4 1958 B12R1.26 CC(C=O)OCc1nc(co1)Br aef1e2b13bd57bf38a9bebbf6482351e [0,2,0,0,0,0|1,0,1]=4 1959 B12R1.26 CC(C=O)OCc1ncc(o1)Br ba531ce42475d02e46119b9b400fef11 [0,2,0,0,0,0|1,0,1]=4 1960 B12R1.26 CCC(=O)NCc1cc(co1)C 6b7d4036b371979527d69cf73cf04129 [0,2,0,0,0,0|1,0,0]=3 1961 B12R1.26 CCC(=O)NCc1cc(cs1)Br 4b37529e1e72d711b3eb04f8aa376baf [0,2,0,0,0,0|1,1,0]=4 1962 B12R1.26 CCC(=O)NCc1cc(cs1)C b0ba41c41d035dc2a9f10458e271ae84 [0,2,0,0,0,0|1,1,0]=4 1963 B12R1.26 CCC(=O)NCc1cc(cs1)Cl b837e29746acbb6a84b9736ed5514368 [0,2,0,0,0,0|1,1,0]=4 1964 B12R1.26 CCC(=O)NCc1cc(no1)C ec42b7702334c24419808193576ea855 [0,2,0,0,0,0|2,0,0]=4 1965 B12R1.26 CCC(=O)NCc1ccc(o1)Br 9f84fca0a2efdcd787ae3dff498ac13a [0,2,0,0,0,0|1,0,0]=3 1966 B12R1.26 CCC(=O)NCc1ccc(o1)C f9b5c830943b0d0ab523c0f7dbd93a5e [0,2,0,0,0,0|1,0,0]=3 1967 B12R1.26 CCC(=O)NCc1ccc(s1)Br 00964838866b30b81011064c10df882b [0,2,0,0,0,0|1,1,0]=4 1968 B12R1.26 CCC(=O)NCc1ccc(s1)C fa387cc0a6e5c8f74aa871d6004ab469 [0,2,0,0,0,0|1,1,0]=4 1969 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 443219c1b7ba239f5653246011c7bfd5 [0,2,0,0,0,0|1,1,0]=4 1970 B12R1.26 CCC(=O)NCc1ccc(s1)F d4227032c7d2c3217b0f9f11398ac998 [0,2,0,0,0,0|1,1,0]=4 1971 B12R1.26 CCC(=O)NCc1cnc(o1)C f5380897449b211e5e1167e8fbdd23c1 [0,2,0,0,0,0|2,0,0]=4 1972 B12R1.26 CCC(=O)NCc1nc(co1)C 880cf4e1912edff72432d0ce1a7c9247 [0,2,0,0,0,0|2,0,0]=4 1973 B12R1.26 CCC(=O)NCc1ncc(o1)Br bb8920475710d18c42b5e20540ae9a9a [0,2,0,0,0,0|2,0,0]=4 1974 B12R1.26 CCC(=O)NCc1ncc(o1)C 7ee8d9bb548b7284bf9dd3083a16ba11 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.26 CCC(C)OCc1cc(co1)Br 6cc89520b3a430930e007c2dc2427f3a [0,2,0,0,0,0|1,0,1]=4 1976 B12R1.26 CCC(C)OCc1ccc(o1)Br 9879f5d8ff6bb777cc850846ac395ed5 [0,2,0,0,0,0|1,0,1]=4 1977 B12R1.26 CCC(C)OCc1ccc(o1)C 8eaab44117391c9a164b56950ffdbfa0 [0,2,0,0,0,0|1,0,1]=4 1978 B12R1.26 CNC(=O)CNc1cc(co1)C 5553b9001ca7ea1a77bd269a3b8d715f [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.26 CNC(=O)CNc1ccc(o1)C 6c9b763f3067710ef72e1df79fd59006 [0,2,0,0,0,0|2,0,0]=4 1980 B12R1.26 COC(=O)CNc1ccc(o1)C 6ae35b6665e7c174f5c14feb64475c34 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.26 C[C@H](C=O)NCc1ccc(o1)Br 04d395c41f1449e2db70973b730759a9 [0,2,0,0,0,0|1,0,1]=4 1982 B12R1.26 C[C@H](C=O)OCC1C=CC(=O)O1 166eb09ff67365f02ce6164fc798bec5 [0,2,0,0,0,0|0,0,2]=4 1983 B12R1.26 C[C@H](C=O)OC[C@@H]1C=CC(=O)O1 2ab13cf930f1a0c965a6475048708246 [0,2,0,0,0,0|0,0,2]=4 1984 B12R1.26 C[C@H](C=O)OCc1cc(co1)Br f3720967399eedd132ec100b7429934a [0,2,0,0,0,0|0,0,1]=3 1985 B12R1.26 C[C@H](C=O)OCc1cc(cs1)Br 4c10be8468ff4ede99c20b23d0ce4049 [0,2,0,0,0,0|0,1,1]=4 1986 B12R1.26 C[C@H](C=O)OCc1cc(cs1)Cl 8bc75fa56e7fbdde8d4a25daf4dcace7 [0,2,0,0,0,0|0,1,1]=4 1987 B12R1.26 C[C@H](C=O)OCc1cc(no1)Br 5e69b23396313e66bf68699dc4e7930c [0,2,0,0,0,0|1,0,1]=4 1988 B12R1.26 C[C@H](C=O)OCc1ccc(o1)Br 634730723f4715fe852e513a6ca7f8bc [0,2,0,0,0,0|0,0,1]=3 1989 B12R1.26 C[C@H](C=O)OCc1ccc(s1)Br 606eae73a72c3cb68d81a31cdceba535 [0,2,0,0,0,0|0,1,1]=4 1990 B12R1.26 C[C@H](C=O)OCc1ccc(s1)Cl f2b84569009ee72b8d84ca475493c834 [0,2,0,0,0,0|0,1,1]=4 1991 B12R1.26 C[C@H](C=O)OCc1ccc(s1)F dad73224cfe7f3c9c085939d51e99cab [0,2,0,0,0,0|0,1,1]=4 1992 B12R1.26 C[C@H](C=O)OCc1nc(co1)Br 2b4537510e1342e51eb88dbeec7e00c4 [0,2,0,0,0,0|1,0,1]=4 1993 B12R1.26 C[C@H](C=O)OCc1ncc(o1)Br a2fde3a4d1c4bc55655366964cb08905 [0,2,0,0,0,0|1,0,1]=4 1994 B12R1.26 Cc1cc(on1)CNC(=O)CF 5222499f70314fc10fe89b0d3dccc362 [0,2,0,0,0,0|2,0,0]=4 1995 B12R1.26 Cc1cc(on1)CNC(=O)CO 9dbc19785e88ab1bae554cca02ee3be4 [0,2,0,0,0,0|2,0,0]=4 1996 B12R1.26 Cc1cc(on1)CNC(=O)CS 94f0d0318c2dd0545f6aa1cd40055d30 [0,2,0,0,0,0|2,0,0]=4 1997 B12R1.26 Cc1cc(on1)COC(C)C=O 6c57cf6e04e8a805c7caa9fc99f7acfe [0,2,0,0,0,0|1,0,1]=4 1998 B12R1.26 Cc1cc(on1)CO[C@H](C)C=O 4b510ff649660eea149b843c294bc3d3 [0,2,0,0,0,0|1,0,1]=4 1999 B12R1.26 Cc1ccc(o1)CNC(=O)C=O 4789dde5c31f2880e8da2459140d9afd [0,2,0,0,0,0|1,0,1]=4 2000 B12R1.26 Cc1ccc(o1)CNC(=O)CF c12303872467df4af587d460485ed2c7 [0,2,0,0,0,0|1,0,0]=3 2001 B12R1.26 Cc1ccc(o1)CNC(=O)CO 4b89eee0b1aff397079a7ec8c117847d [0,2,0,0,0,0|1,0,0]=3 2002 B12R1.26 Cc1ccc(o1)CNC(=O)CS 934c1dac0a713255c9a547852bfb2f65 [0,2,0,0,0,0|1,0,0]=3 2003 B12R1.26 Cc1ccc(o1)CNC(C)C=O 53eaf062eee92109d13b869696dd1c55 [0,2,0,0,0,0|1,0,1]=4 2004 B12R1.26 Cc1ccc(o1)CN[C@H](C)C=O f7d2692f25e8f43d25137c3ff422c269 [0,2,0,0,0,0|1,0,1]=4 2005 B12R1.26 Cc1ccc(o1)COC(C)C=O 6632f5002752aea652e01c077cceac27 [0,2,0,0,0,0|0,0,1]=3 2006 B12R1.26 Cc1ccc(o1)CO[C@H](C)C=O 57131f8e5893f9bbfd81431901d0515d [0,2,0,0,0,0|0,0,1]=3 2007 B12R1.26 Cc1ccc(s1)CNC(=O)CF f667fe6883e172088bb39dd944aab355 [0,2,0,0,0,0|1,1,0]=4 2008 B12R1.26 Cc1ccc(s1)CNC(=O)CO 0934263177737dedd5da2a8bd3a4002d [0,2,0,0,0,0|1,1,0]=4 2009 B12R1.26 Cc1ccc(s1)CNC(=O)CS 13927ad744579d4e85fe4f162bdcb1b8 [0,2,0,0,0,0|1,1,0]=4 2010 B12R1.26 Cc1ccc(s1)COC(C)C=O 4ffe8fa0aa8ba84fdcf566ad30b18a7a [0,2,0,0,0,0|0,1,1]=4 2011 B12R1.26 Cc1ccc(s1)CO[C@H](C)C=O 8a413b32ed50ab2e08f3a484f3c3e213 [0,2,0,0,0,0|0,1,1]=4 2012 B12R1.26 Cc1cnc(o1)CNC(=O)CF fd27ecbbd5496588903401a0915e5237 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.26 Cc1cnc(o1)CNC(=O)CO 36e67ab6a1ac6862e9172aa1fc416ca5 [0,2,0,0,0,0|2,0,0]=4 2014 B12R1.26 Cc1cnc(o1)CNC(=O)CS ceb3e8b773d42c0a527d7239bbe20765 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.26 Cc1cnc(o1)COC(C)C=O b814e7f29be0f00c4cfdb36c2ab25bb1 [0,2,0,0,0,0|1,0,1]=4 2016 B12R1.26 Cc1coc(c1)CNC(=O)C=O e2c1370e503c7770da0d01da74ea78cc [0,2,0,0,0,0|1,0,1]=4 2017 B12R1.26 Cc1coc(c1)CNC(=O)CF bdf867fdd3723cfb1b578dd1458e7e0e [0,2,0,0,0,0|1,0,0]=3 2018 B12R1.26 Cc1coc(c1)CNC(=O)CO 8110a09cb5033dda8997eb4dc8edd08e [0,2,0,0,0,0|1,0,0]=3 2019 B12R1.26 Cc1coc(c1)CNC(=O)CS 03dd10a2215ff7efb44ea6b09374de40 [0,2,0,0,0,0|1,0,0]=3 2020 B12R1.26 Cc1coc(c1)CNC(C)C=O 97998c03e3534d9b61eb304fe87bc345 [0,2,0,0,0,0|1,0,1]=4 2021 B12R1.26 Cc1coc(c1)CN[C@H](C)C=O df67d77ace2ce0d10424d39c72830b95 [0,2,0,0,0,0|1,0,1]=4 2022 B12R1.26 Cc1coc(n1)CNC(=O)CF e4a2c46c7c75fdd0cf0f4f8a534225a9 [0,2,0,0,0,0|2,0,0]=4 2023 B12R1.26 Cc1coc(n1)CNC(=O)CO 73a955a33701e74aef0344c907e2a669 [0,2,0,0,0,0|2,0,0]=4 2024 B12R1.26 Cc1coc(n1)CNC(=O)CS 2128c746adae077c92fbc84adfffceb1 [0,2,0,0,0,0|2,0,0]=4 2025 B12R1.26 Cc1csc(c1)CNC(=O)CF 3ad7a3a54be3782b6aaa26f8235595a7 [0,2,0,0,0,0|1,1,0]=4 2026 B12R1.26 Cc1csc(c1)CNC(=O)CO 640e35351ed3b2e44c93c782131aeb62 [0,2,0,0,0,0|1,1,0]=4 2027 B12R1.26 Cc1csc(c1)CNC(=O)CS abc2a9dbab3e22e5945398e7881744be [0,2,0,0,0,0|1,1,0]=4 2028 B12R1.26 Cc1csc(c1)COC(C)C=O f0408805298cca1e107314362f8ab3dd [0,2,0,0,0,0|0,1,1]=4 2029 B12R1.26 Cc1csc(c1)CO[C@H](C)C=O 198765d32ea638bafe82ea2f1c6d3a2f [0,2,0,0,0,0|0,1,1]=4 2030 B12R1.26 Cc1ncc(o1)CNC(=O)CF c402f21828f07e6f9942b819561e9447 [0,2,0,0,0,0|2,0,0]=4 2031 B12R1.26 Cc1ncc(o1)CNC(=O)CO 74452ab4437279ee8f07dd19dab19e3a [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.26 Cc1ncc(o1)CNC(=O)CS 901b5e1fedd9a8466664023cc4680901 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.26 Cc1ncc(o1)COC(C)C=O 0d7fc1925375d693581457adbdfacd38 [0,2,0,0,0,0|1,0,1]=4 2034 B12R1.26 Cc1ncc(o1)CO[C@H](C)C=O 0d6f789d3f0086f47eeab8a01dc60af6 [0,2,0,0,0,0|1,0,1]=4 2035 B12R1.26 O=C(CF)NCc1cc(cs1)Cl 55dd21236b1fa866cf46392169eadfd4 [0,2,0,0,0,0|1,1,0]=4 2036 B12R1.26 O=C(CF)NCc1cc(no1)Br 34fcf6e1d7a97bdc5be2d9cb3eabb0d4 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.26 O=C(CF)NCc1ccc(o1)Br b4bb004f9fb655b67ed04b48b2db3b31 [0,2,0,0,0,0|1,0,0]=3 2038 B12R1.26 O=C(CF)NCc1ccc(s1)Br 860b566c7a181e9ce92103db9c3bcc81 [0,2,0,0,0,0|1,1,0]=4 2039 B12R1.26 O=C(CF)NCc1ccc(s1)Cl 52c78dff4eb289c8ee311e042b74950a [0,2,0,0,0,0|1,1,0]=4 2040 B12R1.26 O=C(CF)NCc1ccc(s1)F d96d853c44ce34fa747cd4c721c61502 [0,2,0,0,0,0|1,1,0]=4 2041 B12R1.26 O=C(CF)NCc1ncc(o1)Br ae79ed98f9acb8582206cb000e9bab09 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.26 O=C(CO)NCc1cc(cs1)Br 6fb16c065eb76e0c9d903c6094f41262 [0,2,0,0,0,0|1,1,0]=4 2043 B12R1.26 O=C(CO)NCc1cc(cs1)Cl bd84ce5888d9a1fc5813808225055c4f [0,2,0,0,0,0|1,1,0]=4 2044 B12R1.26 O=C(CO)NCc1ccc(o1)Br 32bab6c4ccfc349202de07bf9faaad22 [0,2,0,0,0,0|1,0,0]=3 2045 B12R1.26 O=C(CO)NCc1ccc(s1)Br e90d045b07b91e113d1f5015a4e8b587 [0,2,0,0,0,0|1,1,0]=4 2046 B12R1.26 O=C(CO)NCc1ccc(s1)Cl 78f6d5614e81b1fb27a03fe76dfc675a [0,2,0,0,0,0|1,1,0]=4 2047 B12R1.26 O=C(CO)NCc1ccc(s1)F bd2c3cf356337262325ad8b770785c91 [0,2,0,0,0,0|1,1,0]=4 2048 B12R1.26 O=C(CO)NCc1ncc(o1)Br 3f4966cc3b00a1a424a53df2bb88b8a4 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.26 O=C(CS)NCc1cc(cs1)Br b98b353b1537d0085c64117398c1066d [0,2,0,0,0,0|1,1,0]=4 2050 B12R1.26 O=C(CS)NCc1cc(cs1)Cl 5fc395ed0454f9479768ee1a3e53e4d0 [0,2,0,0,0,0|1,1,0]=4 2051 B12R1.26 O=C(CS)NCc1ccc(o1)Br 775b3c54b17beaa57925226f66d133ec [0,2,0,0,0,0|1,0,0]=3 2052 B12R1.26 O=C(CS)NCc1ccc(s1)Br 43754337a17df7a5134c8e7848dd69a6 [0,2,0,0,0,0|1,1,0]=4 2053 B12R1.26 O=C(CS)NCc1ccc(s1)Cl 5cf9efed626313337eb1a2e3e7012c01 [0,2,0,0,0,0|1,1,0]=4 2054 B12R1.26 O=C(CS)NCc1ccc(s1)F f7d9b6fb74b2ab041fc2b302b8227994 [0,2,0,0,0,0|1,1,0]=4 2055 B12R1.26 O=C(CS)NCc1ncc(o1)Br 336219cfc25967d92153e57a58945f2c [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.26 O=CC(=O)NCc1ccc(o1)Br 24cfa03b10f75e569a943122f17da141 [0,2,0,0,0,0|1,0,1]=4 2057 B12R1.51 C#CCC(=O)NCc1ccco1 6ea8dc52ed1030262a633f90bb725d59 [0,2,0,0,0,0|1,0,0]=3 2058 B12R1.51 C#CCC(=O)NCc1cccs1 92c66cc2eccb6e41f24822102c9a63af [0,2,0,0,0,0|1,1,0]=4 2059 B12R1.51 C#CCC(=O)NCc1ccno1 fbe828952989d27f6bf25cee10b43f3c [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.51 C#CCC(=O)NCc1cnco1 e0be0af9a03cb69d9139f34c7d5cf836 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.51 C#CCC(=O)NCc1ncco1 53dee1d32975afb40aa49ddbc2c1d67f [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.51 C/C=C/C(=O)NCc1ccco1 22834d2dfbfcc74e0a7d9a0b5153a364 [0,2,0,0,0,0|1,0,0]=3 2063 B12R1.51 C/C=C/C(=O)NCc1cccs1 d11bde4d8e409eb3b914111814fd4226 [0,2,0,0,0,0|1,1,0]=4 2064 B12R1.51 C/C=C/C(=O)NCc1ccno1 20f00d391e331958ad1766f033837153 [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.51 C/C=C/C(=O)NCc1cnco1 2a0f60656cd6cbf73bf8beb056f59ff2 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.51 C/C=C/C(=O)NCc1ncco1 dd2122a96fc1eb338d825840e0942f1b [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.51 C/C=C/C(C)OCc1ccco1 224d0b9f11b178ffce7dc47aa4f5f4d6 [0,2,0,0,0,0|1,0,1]=4 2068 B12R1.51 C=CCC(=O)NCc1ccco1 a08d669ecb490459b829365f79f527ec [0,2,0,0,0,0|1,0,0]=3 2069 B12R1.51 C=CCC(=O)NCc1cccs1 a00c80addfe150924fb68e87ef4c282a [0,2,0,0,0,0|1,1,0]=4 2070 B12R1.51 C=CCC(=O)NCc1ccno1 9c4d0f6ab4fda20f83f6fff56860a8e0 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.51 C=CCC(=O)NCc1cnco1 5d1fdc92117993e3af6f0b2eafef8f7f [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.51 C=CCC(=O)NCc1ncco1 fe851f748ab0b8bb0ed7244a18c3e032 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.51 C=CCC(C)OCc1ccco1 1bc68026b6d251c7fc87fced12138021 [0,2,0,0,0,0|1,0,1]=4 2074 B12R1.51 C=CC[C@@H](C)OCc1ccco1 ef09c19ad713df61d258a6460d7566e9 [0,2,0,0,0,0|1,0,1]=4 2075 B12R1.51 C=CC[C@H](C)OCc1ccco1 d5e4598cf0317edea0f01223de2e0200 [0,2,0,0,0,0|1,0,1]=4 2076 B12R1.51 CC#CC(=O)NCc1ccco1 f874842c5e34578d5df177e8c0116d7e [0,2,0,0,0,0|1,0,0]=3 2077 B12R1.51 CC#CC(=O)NCc1cccs1 e02c72086abaf02b53c70f8b526c784e [0,2,0,0,0,0|1,1,0]=4 2078 B12R1.51 CC#CC(=O)NCc1ccno1 f7f31b34b8221b573b2a9ffb947a48c9 [0,2,0,0,0,0|2,0,0]=4 2079 B12R1.51 CC#CC(=O)NCc1cnco1 622beba475b6ce4306052f51d3f36bbc [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.51 CC#CC(=O)NCc1ncco1 a9d4f3e1ada6b7b1988d6f495415a4f8 [0,2,0,0,0,0|2,0,0]=4 2081 B12R1.51 CC#CC(C)OCc1ccco1 fe3fe54463ec75a2701b51985e3cabb4 [0,2,0,0,0,0|1,0,1]=4 2082 B12R1.51 CC(CC#N)OCc1ccco1 22af80c465fe6413980c587ede348482 [0,2,0,0,0,0|1,0,1]=4 2083 B12R1.51 CC(CCc1ccco1)NC=O 1c82c8a0205a8482693e263e47a5852f [0,2,0,0,0,0|1,0,1]=4 2084 B12R1.51 CC=CC(C)OCc1ccco1 a885fedb14f0c6ad64c604f31663c5ab [0,2,0,0,0,0|1,0,1]=4 2085 B12R1.51 CCCC(=O)COc1ccco1 17063ad1e4dbe751a7be7a21bba1bcd0 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.51 CCCC(=O)NCc1ccco1 ce73a3e2d6c143c7e7957ed4af9c441b [0,2,0,0,0,0|1,0,0]=3 2087 B12R1.51 CCCC(=O)NCc1cccs1 3fa9b846891b27864ac91e4223d91ff8 [0,2,0,0,0,0|1,1,0]=4 2088 B12R1.51 CCCC(=O)NCc1ccno1 bb009afb5ee5098af3de925656ab6618 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.51 CCCC(=O)NCc1cnco1 247013ccfda1e1c10b7d5ef3e5bd1005 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.51 CCCC(=O)NCc1ncco1 88d40b36d042ed543e81e4449612f1c4 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.51 CCCC(=S)OCc1ccco1 8121dc76523569851a233c8994ab0d3d [0,2,0,0,0,0|0,1,0]=3 2092 B12R1.51 CCCC(=S)OCc1cccs1 7abaf3963298e262d490103a5661bc80 [0,2,0,0,0,0|0,2,0]=4 2093 B12R1.51 CCCC(=S)OCc1ccno1 91d0f9c2642ea34d7f75b6161084e912 [0,2,0,0,0,0|1,1,0]=4 2094 B12R1.51 CCCC(=S)OCc1ncco1 8d1fa27f62edabf4eb984fe328c0b227 [0,2,0,0,0,0|1,1,0]=4 2095 B12R1.51 CCCC(C)OCc1ccco1 8c1a6f378e4d0c7509435db854b3c00e [0,2,0,0,0,0|1,0,1]=4 2096 B12R1.51 CCC[C@@H](C)OCc1ccco1 6b8e6cdeb644c476e2b16b0282ac258d [0,2,0,0,0,0|1,0,1]=4 2097 B12R1.51 CCC[C@H](C)OCc1ccco1 cadc03b063a9a894c57a4fe17016059c [0,2,0,0,0,0|1,0,1]=4 2098 B12R1.51 CCNC(=O)CNc1ccco1 5590b2ece633c7c02a9cd4be42be8d20 [0,2,0,0,0,0|2,0,0]=4 2099 B12R1.51 CCNC(=O)COc1ccco1 aa407d45a7af23fc8b77c5341fbc5fa7 [0,2,0,0,0,0|2,0,0]=4 2100 B12R1.51 CCOC(=O)CNc1ccco1 670527ba3dc1dd36636f60cb57c041c2 [0,2,0,0,0,0|2,0,0]=4 2101 B12R1.51 CCOC(=O)COc1ccco1 d79d63bf6dfa9a495311c3938169b1d0 [0,2,0,0,0,0|2,0,0]=4 2102 B12R1.51 COCC(=O)COc1ccco1 9864eb1033730562313eca64e79023b9 [0,2,0,0,0,0|2,0,0]=4 2103 B12R1.51 COCC(=O)NCc1ccco1 d361af16eac5f104984530292107aa26 [0,2,0,0,0,0|1,0,0]=3 2104 B12R1.51 COCC(=O)NCc1cccs1 17a5e8446399ac1cc5708fd3a322859b [0,2,0,0,0,0|1,1,0]=4 2105 B12R1.51 COCC(=O)NCc1ccno1 c9b4c569a6735379b0992ce3b948759e [0,2,0,0,0,0|2,0,0]=4 2106 B12R1.51 COCC(=O)NCc1cnco1 22edcc68fa354d30555cb96958425013 [0,2,0,0,0,0|2,0,0]=4 2107 B12R1.51 COCC(=O)NCc1ncco1 fec39f7d8dd5cca33c8547b9ab6aec7a [0,2,0,0,0,0|2,0,0]=4 2108 B12R1.51 COCC(C)OCc1ccco1 40a0446d9633dae720b223c566087f51 [0,2,0,0,0,0|0,0,2]=4 2109 B12R1.51 COC[C@@H](C)OCc1ccco1 2b70f4be55925a09fb9919fd8d6f5c2b [0,2,0,0,0,0|0,0,2]=4 2110 B12R1.51 COC[C@H](C)OCc1ccco1 64c52da4a06710ec3d57af2a4b680cea [0,2,0,0,0,0|0,0,2]=4 2111 B12R1.51 CSCC(=O)NCc1ccco1 22aacf48f67d51e903ab97124be12ef7 [0,2,0,0,0,0|1,0,0]=3 2112 B12R1.51 CSCC(=O)NCc1cccs1 139601ec2ef91fc28858209e2523e927 [0,2,0,0,0,0|1,1,0]=4 2113 B12R1.51 CSCC(=O)NCc1ccno1 3159dac1e9bf2912c093d87661447187 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.51 CSCC(=O)NCc1cnco1 5794254ddb3c2947928edb7491d4bf46 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.51 CSCC(=O)NCc1ncco1 623cb02f6bf4afeae866bb8fc65b2ccf [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.51 CSCC(C)OCc1ccco1 71ab78b4d4dee23a64291c60ab95c89e [0,2,0,0,0,0|0,1,1]=4 2117 B12R1.51 N#CCC(=O)NCc1ccco1 b89d60a0d69d715632b047b7357c1671 [0,2,0,0,0,0|1,0,0]=3 2118 B12R1.51 N#CCC(=O)NCc1cccs1 6c2e97d1509e8fe3eb61a197c17ae195 [0,2,0,0,0,0|1,1,0]=4 2119 B12R1.51 N#CCC(=O)NCc1ccno1 08dd6e0e8e77bf101e8e35a5becb2dc0 [0,2,0,0,0,0|2,0,0]=4 2120 B12R1.51 N#CCC(=O)NCc1cnco1 0cf9869cf7498b4a33afe63e6422d779 [0,2,0,0,0,0|2,0,0]=4 2121 B12R1.51 N#CCC(=O)NCc1ncco1 ae190ee66df701cca1c9ff6bff28a06f [0,2,0,0,0,0|2,0,0]=4 2122 B12R1.51 N#CNC(=O)CCc1ccco1 a060821dcd2e53c8f047a9897abf3ded [0,2,0,0,0,0|1,0,1]=4 2123 B12R1.51 N#CNC(=O)NCc1ccco1 6eba08bf214dda3ba3deb6859c2e0b72 [0,2,0,0,0,0|1,0,1]=4 2124 B12R1.51 NOCC(=O)NCc1ccco1 55c89cd71ee583253c7fc3c85e0df85d [0,2,0,0,0,0|1,0,0]=3 2125 B12R1.51 NOCC(=O)NCc1cccs1 86bba110102c957f321a82d553cb5bc8 [0,2,0,0,0,0|1,1,0]=4 2126 B12R1.51 NOCC(=O)NCc1ccno1 604dcbbeadc0d9d2f38363130603db0c [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.51 NOCC(=O)NCc1cnco1 7548e4bd7bef81b2bcad6f269d7e296e [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.51 NOCC(=O)NCc1ncco1 dae1681fc71f666b58965be4117dd732 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.51 O=C(/C=C/Br)NCc1ccco1 614d6065fa25c2d67695ad23680cb549 [0,2,0,0,0,0|1,0,1]=4 2130 B12R1.51 O=C(/C=C/Cl)NCc1ccco1 c1f2edb5f88275f65c16f44ee1d56daa [0,2,0,0,0,0|1,0,1]=4 2131 B12R1.51 O=C(/C=C/I)NCc1ccco1 eef62f7a79454e281741d562870c356c [0,2,0,0,0,0|1,0,1]=4 2132 B12R1.51 O=C(/C=C\Br)NCc1ccco1 b2710f38fd9511ce6012eb97c5524459 [0,2,0,0,0,0|1,0,1]=4 2133 B12R1.51 O=C(/C=C\Cl)NCc1ccco1 fbe7f45a17e6d8b120a66ddc81ac24de [0,2,0,0,0,0|1,0,1]=4 2134 B12R1.51 O=C(/C=C\I)NCc1ccco1 257c14ea38b62068334ebd6f30f00d04 [0,2,0,0,0,0|1,0,1]=4 2135 B12R1.51 O=C(C#CBr)NCc1ccco1 3f1786b278933f911689c105c4f22158 [0,2,0,0,0,0|1,0,1]=4 2136 B12R1.51 O=C(C=CBr)NCc1ccco1 b62e19418533c97aa78db525bb6581f2 [0,2,0,0,0,0|1,0,1]=4 2137 B12R1.51 O=C(C=CI)NCc1ccco1 03bd230848cd9ffc43cb169c275b9106 [0,2,0,0,0,0|1,0,1]=4 2138 B12R1.51 O=C(CCF)NCc1ccco1 de87c88b7371ee6a55d143d10f42ba71 [0,2,0,0,0,0|1,0,0]=3 2139 B12R1.51 O=C(CCF)NCc1cccs1 045ecfb57c01091faa55587d07524e3d [0,2,0,0,0,0|1,1,0]=4 2140 B12R1.51 O=C(CCF)NCc1ccno1 ae07e7f8914fe1c9df8f6d720448464e [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.51 O=C(CCF)NCc1cnco1 901d08beefc57deab74fbd3abe5937ef [0,2,0,0,0,0|2,0,0]=4 2142 B12R1.51 O=C(CCF)NCc1ncco1 9381fcdbcd2753a63625c42b9370b7df [0,2,0,0,0,0|2,0,0]=4 2143 B12R1.51 O=C(CCO)NCc1ccco1 6d6a148358e8c13c0dbc5c3ac54846b8 [0,2,0,0,0,0|1,0,0]=3 2144 B12R1.51 O=C(CCO)NCc1cccs1 ce42179162a865088fbee076fc4b5f4c [0,2,0,0,0,0|1,1,0]=4 2145 B12R1.51 O=C(CCO)NCc1ccno1 0c6c42845930d1f94334efccccdaebe7 [0,2,0,0,0,0|2,0,0]=4 2146 B12R1.51 O=C(CCO)NCc1cnco1 20e2bb10fba6d7814e964102dc595de3 [0,2,0,0,0,0|2,0,0]=4 2147 B12R1.51 O=C(CCO)NCc1ncco1 e24be4bfc2450d1e80928e80a829a795 [0,2,0,0,0,0|2,0,0]=4 2148 B12R1.51 O=C(CCS)NCc1ccco1 f7fddeeb38ca92e0955608e835407398 [0,2,0,0,0,0|1,0,0]=3 2149 B12R1.51 O=C(CCS)NCc1cccs1 302cf06de464e88d7b60b037d4bf288d [0,2,0,0,0,0|1,1,0]=4 2150 B12R1.51 O=C(CCS)NCc1ccno1 caac430e9eadca05fdb94e2ceb3d3b94 [0,2,0,0,0,0|2,0,0]=4 2151 B12R1.51 O=C(CCS)NCc1cnco1 a6fecd441e4615c46ac3b87547dad3ce [0,2,0,0,0,0|2,0,0]=4 2152 B12R1.51 O=C(CCS)NCc1ncco1 a3d490c31f1b64da2bbd7a258eccd7e8 [0,2,0,0,0,0|2,0,0]=4 2153 B12R1.51 O=CCC(=O)NCc1ccco1 446fe2ef4c74b694f0bf0d446ec23dff [0,2,0,0,0,0|1,0,0]=3 2154 B12R1.51 O=CCC(=O)NCc1cccs1 db277326a2149f28ff862c272c5eb0a8 [0,2,0,0,0,0|1,1,0]=4 2155 B12R1.51 O=CCC(=O)NCc1ccno1 93ec50d19f03180efabf043c963b0dcc [0,2,0,0,0,0|2,0,0]=4 2156 B12R1.51 O=CCC(=O)NCc1cnco1 b2bc36411f09cbaab5ce52ed41856ae9 [0,2,0,0,0,0|2,0,0]=4 2157 B12R1.51 O=CCC(=O)NCc1ncco1 073effcf2f2e9023c21da477a833333c [0,2,0,0,0,0|2,0,0]=4 2158 B12R1.108 C#CC(=O)N(C)Cc1ccco1 ae47b273a4f643d7beaa6b07261d4d08 [0,2,0,0,0,0|1,0,1]=4 2159 B12R1.108 C=CC(=O)N(C)Cc1ccco1 920c8519c43cdbb6a69df5c97cfd7bfe [0,2,0,0,0,0|1,0,1]=4 2160 B12R1.108 CC(C=O)N(C)Cc1ccco1 3777c92c12c36502657f71a224979b77 [0,2,0,0,0,0|1,0,1]=4 2161 B12R1.108 CCC(=O)C(C)Oc1ccco1 5fd9b228b217e9b05df8e4fcab02405a [0,2,0,0,0,0|2,0,0]=4 2162 B12R1.108 CCC(=O)N(C)Cc1ccco1 fab6c5c62443d4dcbdd6bbbd6b681e11 [0,2,0,0,0,0|1,0,0]=3 2163 B12R1.108 CCC(=O)N(C)Cc1cccs1 3478c8138ff3865ea56672a7d5c9a33e [0,2,0,0,0,0|1,1,0]=4 2164 B12R1.108 CCC(=O)N(C)Cc1ccno1 66e4acba3dcaaa7da3dd8f839769efb1 [0,2,0,0,0,0|2,0,0]=4 2165 B12R1.108 CCC(=O)N(C)Cc1ncco1 2218c1c44317ae82f3e6895f039a1276 [0,2,0,0,0,0|2,0,0]=4 2166 B12R1.108 CN(Cc1ccco1)C(=O)C=O 5aa5e48bf7f28764f2def41bb5aeafb1 [0,2,0,0,0,0|1,0,1]=4 2167 B12R1.108 CN(Cc1ccco1)C(=O)CF c1772e9a3c396f190870b3323944513a [0,2,0,0,0,0|1,0,0]=3 2168 B12R1.108 CN(Cc1ccco1)C(=O)CO 9a7331e31757378bc0dc65458323fc28 [0,2,0,0,0,0|1,0,0]=3 2169 B12R1.108 CN(Cc1ccco1)C(=O)CS 9ec2e7071ccea555204213b0ec372249 [0,2,0,0,0,0|1,0,0]=3 2170 B12R1.108 CN(Cc1cccs1)C(=O)CF 6a615883a8b2187e97a31cee96aca93f [0,2,0,0,0,0|1,1,0]=4 2171 B12R1.108 CN(Cc1cccs1)C(=O)CO 2c18ba6fa74ab99200701b39f2ec2646 [0,2,0,0,0,0|1,1,0]=4 2172 B12R1.108 CN(Cc1cccs1)C(=O)CS f73c131b85df253bd3bcc61980ffc817 [0,2,0,0,0,0|1,1,0]=4 2173 B12R1.108 CN(Cc1ccno1)C(=O)CF 3deb7a2f23e3089477b3923daf1a3e1b [0,2,0,0,0,0|2,0,0]=4 2174 B12R1.108 CN(Cc1ccno1)C(=O)CO 7d846130a2eabd32f9dd1e05e6a43c55 [0,2,0,0,0,0|2,0,0]=4 2175 B12R1.108 CN(Cc1ccno1)C(=O)CS e44ccea069a54716e364e160c92d880a [0,2,0,0,0,0|2,0,0]=4 2176 B12R1.108 CN(Cc1ncco1)C(=O)CF 948f443ed75724845dd51469fd5854a3 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.108 CN(Cc1ncco1)C(=O)CO 53da6f6278965ed8fbec296c8d9e83a1 [0,2,0,0,0,0|2,0,0]=4 2178 B12R1.108 CN(Cc1ncco1)C(=O)CS c55c82703673c243002300c0f8c7aca2 [0,2,0,0,0,0|2,0,0]=4 2179 B12R1.108 CNC(=O)C(C)Nc1ccco1 c5089502553e0eb09483ca4203f0d8bf [0,2,0,0,0,0|2,0,0]=4 2180 B12R1.108 COC(=O)C(C)Oc1ccco1 02d2aff09eb2c5af5f3fede2bfa320f5 [0,2,0,0,0,0|2,0,0]=4 2181 B12R1.108 COC(=O)[C@@H](C)Oc1ccco1 7a22247524cf70aa176b9e3e948f30ea [0,2,0,0,0,0|2,0,0]=4 2182 B12R1.108 COC(=O)[C@H](C)Oc1ccco1 7b5e3e9a348c6aba5d65742c6fda466c [0,2,0,0,0,0|2,0,0]=4 2183 B12R1.108 C[C@H](C=O)N(C)Cc1ccco1 e86a72e3f2a4af41d17fa97f7c765fde [0,2,0,0,0,0|1,0,1]=4 2184 B12R1.297 BrCC(CBr)OCc1ccco1 8ac4ad60948df8e84ed3b22af5085eca [0,2,0,0,0,0|1,0,1]=4 2185 B12R1.297 C#CC(CC)OCc1ccco1 68994569e963c3b426a53e1c654c0d3a [0,2,0,0,0,0|1,0,1]=4 2186 B12R1.297 C=CC(CC)OCc1ccco1 76f5c4576d0fb12c7e11aa4b82810f98 [0,2,0,0,0,0|1,0,1]=4 2187 B12R1.297 CCC(C=O)NCc1ccco1 856e135eecac705a7dc836af14239519 [0,2,0,0,0,0|1,0,1]=4 2188 B12R1.297 CCC(C=O)OCc1ccc[nH]1 1d2c2cda437bf02411a225ef7d8802ef [0,2,0,0,0,0|1,0,1]=4 2189 B12R1.297 CCC(C=O)OCc1ccco1 573cf798ce6387eaf35edd96250f243a [0,2,0,0,0,0|0,0,1]=3 2190 B12R1.297 CCC(C=O)OCc1cccs1 79652a4a9fe8d94575f7dab53adf57c5 [0,2,0,0,0,0|0,1,1]=4 2191 B12R1.297 CCC(C=O)OCc1ccno1 d1320480de32232193e39dafa85831b1 [0,2,0,0,0,0|1,0,1]=4 2192 B12R1.297 CCC(C=O)OCc1cnco1 1678da1a4baf94ff93d70679230dc264 [0,2,0,0,0,0|1,0,1]=4 2193 B12R1.297 CCC(C=O)OCc1ncco1 8f63266c7d7d0e6fa4ca4bdddafe97b3 [0,2,0,0,0,0|1,0,1]=4 2194 B12R1.297 CCC(CC)OCc1ccco1 6d2a02b6bed59d5730628d34435ea7d3 [0,2,0,0,0,0|1,0,1]=4 2195 B12R1.297 ClCC(CBr)OCc1ccco1 eed50c6c7172d5e95fd433ec945de635 [0,2,0,0,0,0|1,0,1]=4 2196 B12R1.297 ClCC(CCl)OCc1ccco1 7f1ca619349981e800ec5a82b73f567b [0,2,0,0,0,0|1,0,1]=4 2197 B12R1.297 ClC[C@@H](CI)OCc1ccco1 dd55b270f3ce3a885b11c7f6d34e0165 [0,2,0,0,0,0|1,0,1]=4 2198 B12R1.297 ClC[C@H](CI)OCc1ccco1 f9a76bf94af08bcda90644e0ab65b99c [0,2,0,0,0,0|1,0,1]=4 2199 B12R1.297 FCC(CF)OCc1ccco1 21866090bca09fb345937a394a5902ef [0,2,0,0,0,0|1,0,1]=4 2200 B12R1.297 OCC(CO)OCc1ccco1 e1f4bb2594993d1867f3b0267b166db6 [0,2,0,0,0,0|0,0,2]=4 2201 B12R1.353 C#CC(=O)NCc1occc1C 85df19e9db04cddfcd98131f6ab46794 [0,2,0,0,0,0|1,0,1]=4 2202 B12R1.353 C#CC(C)OCc1occc1C e7270f91a442c2867bd7c0047f051e6d [0,2,0,0,0,0|1,0,1]=4 2203 B12R1.353 C=CC(=O)NCc1occc1C dcfde5af2df8c5cab240a840a2691204 [0,2,0,0,0,0|1,0,1]=4 2204 B12R1.353 C=CC(C)OCc1occc1Br c4a56d10c66d149f1da36b0259a8e54f [0,2,0,0,0,0|1,0,1]=4 2205 B12R1.353 C=CC(C)OCc1occc1C 86e995714112e136a05c441a976daf01 [0,2,0,0,0,0|1,0,1]=4 2206 B12R1.353 CC(C=O)OCc1cccn1C edef9cdcbaca1551ae4f5f1d082ffcbd [0,2,0,0,0,0|1,0,1]=4 2207 B12R1.353 CC(C=O)OCc1occc1Br 79a100c16331a0367923fe6f8d564e40 [0,2,0,0,0,0|0,0,1]=3 2208 B12R1.353 CC(C=O)OCc1sccc1Cl 29c4cd812436682ef379afa1d832e059 [0,2,0,0,0,0|0,1,1]=4 2209 B12R1.353 CC(C=O)OCc1sccc1F 3cdefa8aa40bdd48afbf8adfb7a30111 [0,2,0,0,0,0|0,1,1]=4 2210 B12R1.353 CCC(=O)NCc1cccn1C b08a1b727123d04180fbb5195010218e [0,2,0,0,0,0|2,0,0]=4 2211 B12R1.353 CCC(=O)NCc1occc1C fd86fbb381cff844f3568ea0c04d875e [0,2,0,0,0,0|1,0,0]=3 2212 B12R1.353 CCC(=O)NCc1sccc1Br 79e6c95af4db604d48d4025680a9fdf3 [0,2,0,0,0,0|1,1,0]=4 2213 B12R1.353 CCC(=O)NCc1sccc1Cl afdc3effa1cae4dfac8c8b2cb309525a [0,2,0,0,0,0|1,1,0]=4 2214 B12R1.353 CCC(=O)NCc1sccc1F 9bad560cc4f1a76d07a87ca16d2d021c [0,2,0,0,0,0|1,1,0]=4 2215 B12R1.353 CCC(C)OCc1occc1C 6b4f0b895aaf5ac242a2fe047bc1c312 [0,2,0,0,0,0|1,0,1]=4 2216 B12R1.353 C[C@H](C=O)OCc1cccn1C 97f3693a9d3a1bb77005688d7af53308 [0,2,0,0,0,0|1,0,1]=4 2217 B12R1.353 C[C@H](C=O)OCc1occc1Br f04e8753ca74e18a7ba3a86eb7a70493 [0,2,0,0,0,0|0,0,1]=3 2218 B12R1.353 C[C@H](C=O)OCc1sccc1Cl c4e2fad2a1919bdae165a016b8817483 [0,2,0,0,0,0|0,1,1]=4 2219 B12R1.353 C[C@H](C=O)OCc1sccc1F eab1c2837cf1c5543bf9c00a668556e7 [0,2,0,0,0,0|0,1,1]=4 2220 B12R1.353 Cc1ccoc1CNC(=O)C=O cd44484f01e9ce891e7ff7c137e6059c [0,2,0,0,0,0|1,0,1]=4 2221 B12R1.353 Cc1ccoc1CNC(=O)CF 83404353e5b263e7cf7f78f0370df398 [0,2,0,0,0,0|1,0,0]=3 2222 B12R1.353 Cc1ccoc1CNC(=O)CO 7d95e3fe7dd231ec400cc0756ee3917f [0,2,0,0,0,0|1,0,0]=3 2223 B12R1.353 Cc1ccoc1CNC(=O)CS b5842925d597bcfc3eec30467d20c392 [0,2,0,0,0,0|1,0,0]=3 2224 B12R1.353 Cc1ccoc1CNC(C)C=O 3a384b1d7fe520fdf9a9c35f877b39ca [0,2,0,0,0,0|1,0,1]=4 2225 B12R1.353 Cc1ccoc1CN[C@H](C)C=O ae3ce72d4df08aaa99eb795194cc5f13 [0,2,0,0,0,0|1,0,1]=4 2226 B12R1.353 Cc1ccoc1COC(C)C#N 5c59ddbefd95d0bfbb819c6b8e56fc91 [0,2,0,0,0,0|1,0,1]=4 2227 B12R1.353 Cc1ccoc1COC(C)C=O 128b7515039869329e915e48bae8ab6d [0,2,0,0,0,0|0,0,1]=3 2228 B12R1.353 Cc1ccoc1CO[C@H](C)C=O a39e32728429dc3f818a0daec2f7a4c8 [0,2,0,0,0,0|0,0,1]=3 2229 B12R1.353 Cc1ccsc1COC(C)C=O fb1b4454d863d152a0dd107d6afd01f7 [0,2,0,0,0,0|0,1,1]=4 2230 B12R1.353 Cc1ccsc1CO[C@H](C)C=O a0184df06ee9cd7c4d6e8243d8daad63 [0,2,0,0,0,0|0,1,1]=4 2231 B12R1.353 Cc1cnoc1COC(C)C=O cf4ccf0105bf739bc6c0bef5de7850aa [0,2,0,0,0,0|1,0,1]=4 2232 B12R1.353 Cc1cnoc1CO[C@H](C)C=O 01f59bb8398587f4b6f7da22fa59cca0 [0,2,0,0,0,0|1,0,1]=4 2233 B12R1.353 Cc1ncoc1COC(C)C=O 04838a8163d3012456e0f31e53090b83 [0,2,0,0,0,0|1,0,1]=4 2234 B12R1.353 Cc1ncoc1CO[C@H](C)C=O b5c1622434e7e8de43eeeac733810ded [0,2,0,0,0,0|1,0,1]=4 2235 B12R1.353 Cn1cccc1CNC(=O)CF b227bbe2f2065eab4c8fa79e26b72c86 [0,2,0,0,0,0|2,0,0]=4 2236 B12R1.353 Cn1cccc1CNC(=O)CO 9cc41b7f45dea5410309d4ff1f1ca779 [0,2,0,0,0,0|2,0,0]=4 2237 B12R1.353 Cn1cccc1CNC(=O)CS 590022afd73682aa2b586d4a30ad477e [0,2,0,0,0,0|2,0,0]=4 2238 B12R1.353 O=C(CF)NCc1sccc1Br 979fd5cabab2f96b964fc3bd37e3c559 [0,2,0,0,0,0|1,1,0]=4 2239 B12R1.353 O=C(CF)NCc1sccc1Cl 557c8d8688fc4c263c74d406a23c102c [0,2,0,0,0,0|1,1,0]=4 2240 B12R1.353 O=C(CF)NCc1sccc1F 3998dc5ef8fbd0bbea856bf0676f9628 [0,2,0,0,0,0|1,1,0]=4 2241 B12R1.353 O=C(CO)NCc1sccc1Br e347c789dddb159b6111c6a082967f7c [0,2,0,0,0,0|1,1,0]=4 2242 B12R1.353 O=C(CO)NCc1sccc1Cl 43071d40d24df15e9998c9226ac438e0 [0,2,0,0,0,0|1,1,0]=4 2243 B12R1.353 O=C(CO)NCc1sccc1F 27bb122be04fe360471169da32640259 [0,2,0,0,0,0|1,1,0]=4 2244 B12R1.353 O=C(CS)NCc1sccc1Br dc2558995383b8a96173db3279bf2e4e [0,2,0,0,0,0|1,1,0]=4 2245 B12R1.353 O=C(CS)NCc1sccc1Cl f81bfdc6a0bb4ee353b0d32af86fa738 [0,2,0,0,0,0|1,1,0]=4 2246 B12R1.353 O=C(CS)NCc1sccc1F c2073f20bdc00b8b91b96bcdffc65903 [0,2,0,0,0,0|1,1,0]=4 2247 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 44197624c15ce2eb684545c0c6c7136d [0,2,0,0,0,0|1,1,0]=4 2248 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 59007f739d1f99363de3060be769c190 [0,2,0,0,0,0|1,0,0]=3 2249 B12R1.104 CC(=O)N(C)Cc1ccc(s1)Br ed96c18c91b25b7ca6ea6e1075eba26c [0,2,0,0,0,0|1,1,0]=4 2250 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C f832553b5a5059bc75d716f3dbc00bf5 [0,2,0,0,0,0|1,1,0]=4 2251 B12R1.104 CC(=O)N(C)Cc1ccc(s1)Cl c3a1141cda6fb06e07fa6cc6dbb1b8b9 [0,2,0,0,0,0|1,1,0]=4 2252 B12R1.120 CC(=O)N(C)C(C)c1cccs1 8b0441c098c0ddebcadb8f8952f3d490 [0,2,0,0,0,0|1,1,0]=4 2253 B12R1.145 CC(=O)N(C)Cc1cccn1C 9648fbf7da398da30e6c692c25a47b79 [0,2,0,0,0,0|2,0,0]=4 2254 B12R1.145 CC(=O)N(C)Cc1occc1C 03173b060bf668c0c0e1b70aced7cc11 [0,2,0,0,0,0|1,0,0]=3 2255 B12R1.298 CCN(Cc1ccco1)C(=O)C 8e34880ce2d5e2ba359ddd3b4b0429f7 [0,2,0,0,0,0|1,0,0]=3 2256 B12R1.298 CCN(Cc1cccs1)C(=O)C 82cf32a528b8c9316ca58c6996f49450 [0,2,0,0,0,0|1,1,0]=4 2257 B12R1.1373 CC(=O)C(C)(C)Nc1ccco1 21af57853849d4c754f6fc5ea695ecb5 [0,2,0,0,0,0|2,0,0]=4 2258 B12R1.59 C#Cc1ccc(o1)COC(C)C 54a0027c5e4c8d223811aa646fdc9360 [0,2,0,0,0,0|1,0,1]=4 2259 B12R1.59 CC(=O)CNc1cc(co1)C#N c785461582f743176e0f0d22406e9a0d [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.59 CC(=O)CNc1ccc(o1)C#N f5311fe596bc65b69dbb865db67565de [0,2,0,0,0,0|2,0,0]=4 2261 B12R1.59 CC(=O)CNc1ccc(o1)C=O 30e2e690885590fd7ecb5c5cd471fe87 [0,2,0,0,0,0|2,0,0]=4 2262 B12R1.59 CC(=O)CNc1ccc(o1)CO 88deb4fa0d6e79f7b802ebba305d9568 [0,2,0,0,0,0|2,0,0]=4 2263 B12R1.59 CC(=O)NCc1cc(co1)C#N fab04bae72aca7cdf39524decf9f5dcd [0,2,0,0,0,0|1,0,0]=3 2264 B12R1.59 CC(=O)NCc1cc(cs1)C#N b01c556dcfc4eae6f4000fafb8d8ec78 [0,2,0,0,0,0|1,1,0]=4 2265 B12R1.59 CC(=O)NCc1ccc(o1)CO 1c79861a8323cdfd9d57c07c6408237b [0,2,0,0,0,0|1,0,0]=3 2266 B12R1.59 CC(=O)NCc1ccc(s1)C#N e53e0ba3c96ccdca9f1347654d851bbc [0,2,0,0,0,0|1,1,0]=4 2267 B12R1.59 CC(C)OCc1cc(co1)C#N 4d2b560b05f70d831b4773891a3b4d5b [0,2,0,0,0,0|1,0,1]=4 2268 B12R1.59 CC(C)OCc1ccc(o1)C#N 498f938ff104f15c081c1506e4279402 [0,2,0,0,0,0|1,0,1]=4 2269 B12R1.59 CC(C)OCc1ccc(o1)C=O c0b3e0233739dc203516e1a47d9fefa6 [0,2,0,0,0,0|1,0,1]=4 2270 B12R1.59 CCc1cc(on1)CNC(=O)C 9a752cceab19b9492232348f01c1aa2f [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.59 CCc1ccc(o1)NCC(=O)C 1ee99ad5de7eaa2654d8301bf3d52463 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.103 CC(=O)NC(C)c1cc(no1)Br 96e2286a71e1b62a061f70c0478fd443 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.103 CC(=O)NC(C)c1ccc(o1)C 14a20018db4e1debf3fe6aa5b76e92ac [0,2,0,0,0,0|1,0,0]=3 2274 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 2da7b6768efd3e33610d9e4904025ca9 [0,2,0,0,0,0|1,1,0]=4 2275 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl ceb7cac0085c2046b71abc98b15b5cba [0,2,0,0,0,0|1,1,0]=4 2276 B12R1.103 CC(=O)N[C@@H](C)c1cc(cs1)Br 3dc6fcfc041f62026047010813f8a696 [0,2,0,0,0,0|1,1,0]=4 2277 B12R1.103 CC(=O)N[C@@H](C)c1ccc(s1)C e954d5894c784cca9eb3d710a275b1c9 [0,2,0,0,0,0|1,1,0]=4 2278 B12R1.103 CC(=O)N[C@H](C)c1cc(cs1)Br 5a1aa67eade83197324448a9a4221879 [0,2,0,0,0,0|1,1,0]=4 2279 B12R1.103 CC(=O)N[C@H](C)c1ccc(o1)C faeeb9777d1dcbea4d54f534cc0e11d3 [0,2,0,0,0,0|1,0,0]=3 2280 B12R1.103 CC(=O)N[C@H](C)c1ccc(s1)Br 0c0572cac6384d039e82f2cc3081cb4f [0,2,0,0,0,0|1,1,0]=4 2281 B12R1.103 CC(=O)N[C@H](C)c1ccc(s1)Cl d1e501255336cc2673c9bbc7f1e7cbd3 [0,2,0,0,0,0|1,1,0]=4 2282 B12R1.110 CC(=O)NCc1nc(c(o1)C)Br 8d614d090b866c0834479774b96f2882 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.110 CC(=O)NCc1nc(c(o1)C)C cfeed0c2a98ef32c13ebb0607fe14a76 [0,2,0,0,0,0|2,0,0]=4 2284 B12R1.861 CC(=O)NCc1oc(nc1C)C c7e68fe0c94468dfd84cd6547f3d91e4 [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.870 CC(=O)NCc1ccc(n1C)C 372f2741b5d5692d93255f73a25b37f2 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.259 CC(=O)NC(C)(C)c1cccs1 6f6c76b9948af68663f27c9862e8aa3d [0,2,0,0,0,0|1,1,0]=4 2287 B12R1.476 CCC(NC(=O)C)c1ccco1 6906981556ee166cd75b44fafb7d0ffe [0,2,0,0,0,0|1,0,0]=3 2288 B12R1.476 CCC(NC(=O)C)c1cccs1 e32be0ffa41f76c7206a4ddd8ed69929 [0,2,0,0,0,0|1,1,0]=4 2289 B12R1.476 CCC(OC(C)C)c1ccco1 409014c224b25cf7d28ed8aa1bf8d368 [0,2,0,0,0,0|1,0,1]=4 2290 B12R1.81 COc1ccsc1CNC(=O)C 16287217f6261163d817e8ff590e8e76 [0,2,0,0,0,0|1,1,0]=4 2291 B12R2.6 Cc1cc(no1)c2ccco2 8f5b8119be6cbb02855165876da80708 [0,0,0,1,0,1|1,0,1]=4 2292 B12R2.6 Cc1cc(on1)c2ccco2 146b8326a572d0384ad6a76dd911328a [0,0,0,1,0,1|1,0,1]=4 2293 B12R2.6 Cc1coc(c1)c2ccco2 db75051b4573f30c30630eb6f53362ca [0,0,0,1,0,1|1,0,1]=4 2294 B12R2.6 Cc1coc(n1)c2ccco2 42bb5c9c3360d1a727112bad2f523cbf [0,0,0,1,0,1|1,0,1]=4 2295 B12R2.6 Cc1nc(co1)c2ccco2 124edffc2590d4abee60a5dc157382e5 [0,0,0,1,0,1|1,0,1]=4 2296 B12R2.6 Cc1nc(no1)c2ccco2 2df6ffd2519553f08ceffef9cbfaf3cf [0,0,0,1,0,1|1,0,1]=4 2297 B12R2.6 Cc1noc(n1)c2ccco2 4c4f46e2715ffbd1de267b914852dfc3 [0,0,0,1,0,1|1,0,1]=4 2298 B12R2.136 O=C1CC(C1)Nc2ccno2 7e5c23fceab2e167f2dcaafdb0cb24f0 [0,0,0,1,0,1|2,0,0]=4 2299 B12R2.136 O=C1CC(C1)Oc2ccco2 c7945d307366b05a4dbdeb1d8dba021a [0,0,0,1,0,1|1,0,0]=3 2300 B12R2.2383 c1coc(c1)CCOC2CC2 2cd664c9bb31ceb8871d64e6d04c4aab [0,0,0,1,0,1|1,0,1]=4 2301 B12R2.2383 c1coc(c1)COCC2CC2 56f7d114961a8670316897e8e916c7de [0,0,0,1,0,1|1,0,1]=4 2302 B12R2.44 O=CN1CCc2occc2C1 ca5bfcdba4e9412da7f5f49a0b3cf676 [0,1,0,1,0,0|2,0,0]=4 2303 B12R2.2056 c1coc(c1)COC2CCC2 7c5af456fcf95a0048391cd8f8bce79c [0,1,0,1,0,0|1,0,1]=4 2304 B12R2.2056 c1coc(c1)COC2COC2 cfce65fbe6dd90fb102f92a24f7e3e5c [0,1,0,1,0,0|0,0,2]=4 2305 B12R2.2056 c1coc(c1)COC2CSC2 2cdd96f672432ba291802bd83f2bc6a3 [0,1,0,1,0,0|0,1,1]=4 2306 B12R2.2298 Brc1ccc(o1)COC2CC2 aff445df9628054f388518ed08e4198a [0,1,0,1,0,0|1,0,1]=4 2307 B12R2.2298 Brc1coc(c1)COC2CC2 9943713a9ed39a0272280ff4202e706c [0,1,0,1,0,0|1,0,1]=4 2308 B12R2.2298 Cc1ccc(o1)COC2CC2 9f49e8f82fa09513cdc1b111fc1e483e [0,1,0,1,0,0|1,0,1]=4 2309 B12R2.466 Brc1ccoc1COC2CC2 009efeaa1197e546d90ffc02e29ce36f [0,1,0,1,0,0|1,0,1]=4 2310 B12R2.466 Cc1ccoc1COC2CC2 a4e8902a406683a88e15f3200fcbb6c3 [0,1,0,1,0,0|1,0,1]=4 2311 B10R0.77 C=CC(C=C)OCOC(=O)C fc8f79273d780679af96d5c269122c98 [0,0,1,0,0,1|1,0,1]=4 2312 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,0,0,0,0,1|1,0,1]=4 2313 B10R1.17 CCOCc1ccccn1 0c63694580ac3136b3801886d248907b [1,0,0,0,0,1|1,0,1]=4 2314 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [1,0,0,0,0,1|1,0,1]=4 2315 B10R1.17 CCOCc1cccnn1 a18ecdaafc84bd92138525fb2f4ad399 [1,0,0,0,0,1|1,0,1]=4 2316 B10R1.17 CCOCc1ccncc1 1d1afe04b02325a5cf955e686c22ba10 [1,0,0,0,0,1|1,0,1]=4 2317 B10R1.17 CCOCc1ccncn1 d55d0b80fa8d405bad8866668c0f9fa7 [1,0,0,0,0,1|1,0,1]=4 2318 B10R1.17 CCOCc1cnccn1 7fb271123056acc990d03d3767398eec [1,0,0,0,0,1|1,0,1]=4 2319 B10R1.17 CCOCc1ncccn1 ba95357c7224be2db8f523f6aa6f9bb0 [1,0,0,0,0,1|1,0,1]=4 2320 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [1,0,0,0,0,1|2,0,0]=4 2321 B10R1.17 O=CNCc1ccccn1 2a4bd7c465ac0ab8804867d1eeb7fd18 [1,0,0,0,0,1|2,0,0]=4 2322 B10R1.17 O=CNCc1cccnc1 86ebf2990a9293a0c4bc35942f9e4571 [1,0,0,0,0,1|2,0,0]=4 2323 B10R1.17 O=CNCc1cccnn1 c5e83bdac2e2f539bc82d2501f5689bd [1,0,0,0,0,1|2,0,0]=4 2324 B10R1.17 O=CNCc1ccncc1 1f2ebcdeb77286cfab7ddcdf6ac042b2 [1,0,0,0,0,1|2,0,0]=4 2325 B10R1.17 O=CNCc1ccncn1 9cc8575563436bdab6bb5758cdf1aa10 [1,0,0,0,0,1|2,0,0]=4 2326 B10R1.17 O=CNCc1cnccn1 2bd46c5e573c56891fa964a095c4e2d7 [1,0,0,0,0,1|2,0,0]=4 2327 B10R1.17 O=CNCc1ncccn1 7d1c42dda8acac697d69ce2b0a3b68b6 [1,0,0,0,0,1|2,0,0]=4 2328 B12R1.252 C=C(C)COCc1ccccc1 f4499d14dd2f7bb4726f716f15e929df [0,0,0,0,0,2|2,0,0]=4 2329 B12R1.252 C=C(C)COCc1ccccn1 6969eb42119ffe7768529c61d80d21e6 [0,0,0,0,0,2|2,0,0]=4 2330 B12R1.252 C=C(C)COCc1cccnc1 b1309dd5e0e34a6f1f94f4da7e73dca6 [0,0,0,0,0,2|2,0,0]=4 2331 B12R1.252 C=C(C)COCc1cccnn1 66ea9a4a1f978fe2b65d3deaaed51360 [0,0,0,0,0,2|2,0,0]=4 2332 B12R1.252 C=C(C)COCc1ccncc1 59009e1728de50bbf4f23e46b346867c [0,0,0,0,0,2|2,0,0]=4 2333 B12R1.252 C=C(C)COCc1ccncn1 6d6b42ed021f4ca2366a432131da633f [0,0,0,0,0,2|2,0,0]=4 2334 B12R1.252 C=C(C)COCc1cnccn1 ed2caf369fed63d27d762efb607396bb [0,0,0,0,0,2|2,0,0]=4 2335 B12R1.252 C=C(C)COCc1ncccn1 19fcc57160e78787c6b64c1c61e63bed [0,0,0,0,0,2|2,0,0]=4 2336 B12R1.252 CC(=O)CCNc1ccccc1 9b0f0a0043bcfdd99ee44d3d72b922e5 [0,0,0,0,0,2|2,0,0]=4 2337 B12R1.252 CC(=O)CCNc1ccccn1 997919901794ee27201838f3f268a693 [0,0,0,0,0,2|2,0,0]=4 2338 B12R1.252 CC(=O)CCNc1cccnc1 d55d133f13b833b5bf8507a979c71c53 [0,0,0,0,0,2|2,0,0]=4 2339 B12R1.252 CC(=O)CCNc1cccnn1 32d799f5ae0f043ddfd98d242d6e2b83 [0,0,0,0,0,2|2,0,0]=4 2340 B12R1.252 CC(=O)CCNc1ccncc1 bbf0d1b9e62272e08678140c87e735f6 [0,0,0,0,0,2|2,0,0]=4 2341 B12R1.252 CC(=O)CCNc1ccncn1 0028a4c9e1e1e7e2cab45e31e5dcdf1c [0,0,0,0,0,2|2,0,0]=4 2342 B12R1.252 CC(=O)CCNc1cnccn1 8194d0ad6d30ebb45605078893d0b86f [0,0,0,0,0,2|2,0,0]=4 2343 B12R1.252 CC(=O)CCNc1ncccn1 f9af544460838f47ce2dd0d8d6fb8e65 [0,0,0,0,0,2|2,0,0]=4 2344 B12R1.252 CC(=O)CCOc1ccccn1 f0d6b589e7af691479be38abbd6bcdf3 [0,0,0,0,0,2|2,0,0]=4 2345 B12R1.252 CC(=O)CCOc1cccnc1 67dae2709723517ab5af883d0837054b [0,0,0,0,0,2|2,0,0]=4 2346 B12R1.252 CC(=O)CCOc1ccncc1 1ac74c4f9261a84ccdad1c4e049e9ece [0,0,0,0,0,2|2,0,0]=4 2347 B12R1.252 CC(=O)CCOc1cnccn1 470130b5fcbc6995e03cec6409a7e88f [0,0,0,0,0,2|2,0,0]=4 2348 B12R1.252 CC(=O)CCOc1ncccn1 cb317663dda387ed6c769a3c84b9ec4a [0,0,0,0,0,2|2,0,0]=4 2349 B12R1.252 CC(=O)CNCc1ccccc1 5e4599c3af112643425e1a35238a896f [0,0,0,0,0,2|2,0,0]=4 2350 B12R1.252 CC(=O)CNCc1ccccn1 6857f6976c347e411d9abdd48f8982fb [0,0,0,0,0,2|2,0,0]=4 2351 B12R1.252 CC(=O)CNCc1cccnc1 39d89333d7252b4434a1fdfd17a4d718 [0,0,0,0,0,2|2,0,0]=4 2352 B12R1.252 CC(=O)CNCc1cccnn1 69a4573b28e6734fdd6ea189d6e37041 [0,0,0,0,0,2|2,0,0]=4 2353 B12R1.252 CC(=O)CNCc1ccncn1 9280fb5fc212f0e227894d5f435d42d3 [0,0,0,0,0,2|2,0,0]=4 2354 B12R1.252 CC(=O)CNCc1ncccn1 ebcbf993e63f54e2a531cc36cbf3d20b [0,0,0,0,0,2|2,0,0]=4 2355 B12R1.252 CC(=O)COCc1ccccc1 18daaa7c0d669a182de591929c861cbe [0,0,0,0,0,2|1,0,0]=3 2356 B12R1.252 CC(=O)COCc1ccccn1 f8ed3ffb815bee7f1737eacfe042d64f [0,0,0,0,0,2|1,0,0]=3 2357 B12R1.252 CC(=O)COCc1cccnc1 36638c01e0a61511be9d007508b97b48 [0,0,0,0,0,2|1,0,0]=3 2358 B12R1.252 CC(=O)COCc1cccnn1 e5ce14b0f3485754a3b54e412cf985cc [0,0,0,0,0,2|1,0,0]=3 2359 B12R1.252 CC(=O)COCc1ccncn1 0d85e9f224c2952d6d7e3faef841c4cd [0,0,0,0,0,2|1,0,0]=3 2360 B12R1.252 CC(=O)COCc1cncnc1 a6210dfea47295d579916cba8a09c6f7 [0,0,0,0,0,2|2,0,0]=4 2361 B12R1.252 CC(=O)COCc1ncccn1 b330e3f5176d6d50393a8f323d76eb16 [0,0,0,0,0,2|1,0,0]=3 2362 B12R1.252 CC(=O)NCCc1ccccc1 1052e9521fedb3e85cab4ef571c55982 [0,0,0,0,0,2|2,0,0]=4 2363 B12R1.252 CC(=O)NCCc1ccccn1 3ad8e2876430ef8ccd3cbeba8ed6119f [0,0,0,0,0,2|2,0,0]=4 2364 B12R1.252 CC(=O)NCCc1cccnc1 3962e9654ba13e9ef1bdd3c037e7deff [0,0,0,0,0,2|2,0,0]=4 2365 B12R1.252 CC(=O)NCCc1ccncc1 56311f224412b2ab7d4e3e56f79fd239 [0,0,0,0,0,2|2,0,0]=4 2366 B12R1.252 CC(=O)NCCc1ccncn1 fab966eb0085b8e36cdf3d0657da7143 [0,0,0,0,0,2|2,0,0]=4 2367 B12R1.252 CC(=O)NCCc1cnccn1 1cf21aa316ea8133ba87ed31740cb5a0 [0,0,0,0,0,2|2,0,0]=4 2368 B12R1.252 CC(=O)NCCc1ncccn1 6cea7b81fd8f7f4399691623e3b09425 [0,0,0,0,0,2|2,0,0]=4 2369 B12R1.252 CC(=O)OCNc1ccccc1 6887be863fb786ec7dd333ad6d1f93a1 [0,0,0,0,0,2|1,0,0]=3 2370 B12R1.252 CC(=O)OCNc1ccccn1 a41f1b71ededa97eb4355e9af8654026 [0,0,0,0,0,2|1,0,0]=3 2371 B12R1.252 CC(=O)OCNc1cccnc1 4178bffb832b0edcfc9121cf9bba84c2 [0,0,0,0,0,2|1,0,0]=3 2372 B12R1.252 CC(=O)OCNc1cccnn1 8c98d445e1e0cc487041b61de0ea911c [0,0,0,0,0,2|1,0,0]=3 2373 B12R1.252 CC(=O)OCNc1ccncc1 108d237aa1f6f8444cb5b9cf1463791c [0,0,0,0,0,2|1,0,0]=3 2374 B12R1.252 CC(=O)OCNc1ccncn1 bf20837dfac7b7bae382ad769a09b6f4 [0,0,0,0,0,2|1,0,0]=3 2375 B12R1.252 CC(=O)OCNc1ccnnc1 72a9c2fa9eab27cfd711aac0ff03dc04 [0,0,0,0,0,2|2,0,0]=4 2376 B12R1.252 CC(=O)OCNc1cnccn1 bdb0ee3fc5470597e07f96ab12fbc213 [0,0,0,0,0,2|1,0,0]=3 2377 B12R1.252 CC(=O)OCNc1cncnc1 5b068758d6a2798d700ddb1e206b71e0 [0,0,0,0,0,2|2,0,0]=4 2378 B12R1.252 CC(=O)OCNc1cnncn1 f9db9f32f8b2a609254498098eeb8926 [0,0,0,0,0,2|2,0,0]=4 2379 B12R1.252 CC(=O)OCNc1ncccn1 906e0b59248f23fb7691c6448550e547 [0,0,0,0,0,2|1,0,0]=3 2380 B12R1.252 CC(=O)OCNc1nccnn1 a039434fc31e5199d8075fea306dd666 [0,0,0,0,0,2|2,0,0]=4 2381 B12R1.252 CC(=O)OCNc1ncncn1 c45f6872cc6e114671f1550779edc2fe [0,0,0,0,0,2|2,0,0]=4 2382 B12R1.252 CC(=O)OCOc1ccccn1 86abcd8d807149e2e6ef73302de6ba90 [0,0,0,0,0,2|1,0,0]=3 2383 B12R1.252 CC(=O)OCOc1cccnc1 276102d131e97a552c86e2e9163e6724 [0,0,0,0,0,2|1,0,0]=3 2384 B12R1.252 CC(=O)OCOc1ccncc1 cfb5cc299f2c001f2ecc804da49cda8d [0,0,0,0,0,2|1,0,0]=3 2385 B12R1.252 CC(=O)OCOc1ccnnc1 9343deae154e507a6c64e030e812b206 [0,0,0,0,0,2|2,0,0]=4 2386 B12R1.252 CC(=O)OCOc1cnccn1 7137929c8a41977d22d81b105aca6c2e [0,0,0,0,0,2|1,0,0]=3 2387 B12R1.252 CC(=O)OCOc1cncnc1 92f7ed10cc4158ac96eb4ae613a62a52 [0,0,0,0,0,2|2,0,0]=4 2388 B12R1.252 CC(=O)OCOc1cncnn1 2aa92de76010fb2c4e90973261dcfb0b [0,0,0,0,0,2|2,0,0]=4 2389 B12R1.252 CC(=O)OCOc1ncccn1 8b175a52d1a3c6c8bd19153f2e2293d7 [0,0,0,0,0,2|1,0,0]=3 2390 B12R1.252 NC(=O)COCc1ccccc1 eacdadd1a099559aa1699a209237e0c7 [0,0,0,0,0,2|2,0,0]=4 2391 B12R1.252 NC(=O)COCc1ccccn1 0d9c0bff99698d95c8b9e9a6d8922eb4 [0,0,0,0,0,2|2,0,0]=4 2392 B12R1.252 NC(=O)COCc1cccnc1 51b6ad658b269a92444e834b1f785c0e [0,0,0,0,0,2|2,0,0]=4 2393 B12R1.252 NC(=O)COCc1cccnn1 9893647b58ade82862b2c63fdb07b6b1 [0,0,0,0,0,2|2,0,0]=4 2394 B12R1.252 NC(=O)COCc1ccncc1 953db8950d283323ec8fc016e8c4fe7d [0,0,0,0,0,2|2,0,0]=4 2395 B12R1.252 NC(=O)COCc1ccncn1 0c4aee264053f0dbf65d0fe5124fc492 [0,0,0,0,0,2|2,0,0]=4 2396 B12R1.252 NC(=O)COCc1cnccn1 d10373e515112c09e054302f7a5f9071 [0,0,0,0,0,2|2,0,0]=4 2397 B12R1.252 NC(=O)COCc1ncccn1 d7f265149c28caac1a467eecd4af4873 [0,0,0,0,0,2|2,0,0]=4 2398 B12R1.252 O=C(O)COCc1ccccc1 a919d4e5b6621fc6b657c329a5a5b2a3 [0,0,0,0,0,2|2,0,0]=4 2399 B12R1.252 O=C(O)COCc1ccccn1 23d47dd96051fd1e4e6f2b6ade2c5861 [0,0,0,0,0,2|2,0,0]=4 2400 B12R1.252 O=C(O)COCc1cccnc1 f0ccee5ed9ee69c492f291b8d433ec22 [0,0,0,0,0,2|2,0,0]=4 2401 B12R1.252 O=C(O)COCc1cccnn1 1d7cd1dc4f1a94df1c3289cffeb37f42 [0,0,0,0,0,2|2,0,0]=4 2402 B12R1.252 O=C(O)COCc1ccncc1 5c10a3aeb68608515bbdc7a10de9fb73 [0,0,0,0,0,2|2,0,0]=4 2403 B12R1.252 O=C(O)COCc1ccncn1 f2095ad1d839fba330ffd44a9e54039d [0,0,0,0,0,2|2,0,0]=4 2404 B12R1.252 O=C(O)COCc1cnccn1 a86c3852368f7621a0f962fe521e9d03 [0,0,0,0,0,2|2,0,0]=4 2405 B12R1.252 O=C(O)COCc1ncccn1 279c489594880f670133afd04a5febb9 [0,0,0,0,0,2|2,0,0]=4 2406 B12R1.255 C/C(=C/CNCc1ccco1)/I 7ed6efbed42e184951e05ee7c4d3ed5a [0,0,0,0,0,2|2,0,0]=4 2407 B12R1.255 C/C(=C/COCc1ccc[nH]1)/I 572225931fc0568e03f24de890e9deeb [0,0,0,0,0,2|2,0,0]=4 2408 B12R1.255 C/C(=C/COCc1ccco1)/Cl 1bf0425aca5d165e0863987788c55bbc [0,0,0,0,0,2|1,0,0]=3 2409 B12R1.255 C/C(=C/COCc1ccco1)/I 6ca611aa8289ade8f590408b30f8aa22 [0,0,0,0,0,2|1,0,0]=3 2410 B12R1.255 C/C(=C/COCc1cccs1)/Cl 670bec485082349718282764671cc7a1 [0,0,0,0,0,2|1,1,0]=4 2411 B12R1.255 C/C(=C/COCc1cccs1)/I 8a9862ee0c322a6d9e68b7fafb05826d [0,0,0,0,0,2|1,1,0]=4 2412 B12R1.255 C/C(=C/COCc1ccno1)/Cl f6dfc90e475c396907df2fc59351063f [0,0,0,0,0,2|2,0,0]=4 2413 B12R1.255 C/C(=C/COCc1ccno1)/I 1115480c52941a3fd74b01f99625007d [0,0,0,0,0,2|2,0,0]=4 2414 B12R1.255 C/C(=C/COCc1cnco1)/Cl 2872ce64aa3218cc239cd4bc5727fa54 [0,0,0,0,0,2|2,0,0]=4 2415 B12R1.255 C/C(=C/COCc1cnco1)/I 853e2fc115a37f1a3c421271d598c8b0 [0,0,0,0,0,2|2,0,0]=4 2416 B12R1.255 C/C(=C/COCc1ncco1)/Cl 320f4b4d98c9f32506064448b07b81a4 [0,0,0,0,0,2|2,0,0]=4 2417 B12R1.255 C/C(=C/COCc1ncco1)/I 57717657c862fff9a93c8ad2fddec833 [0,0,0,0,0,2|2,0,0]=4 2418 B12R1.255 C/C(=C\CNCc1ccco1)/Cl 0911584d404d599bd9b0b0926d4d6622 [0,0,0,0,0,2|2,0,0]=4 2419 B12R1.255 C/C(=C\COCc1ccc[nH]1)/Cl be7cc68b22ec0a975561cbdfa1bf2ea2 [0,0,0,0,0,2|2,0,0]=4 2420 B12R1.255 C/C(=C\COCc1ccco1)/Cl 643dee1770142a62f26d1689e4ceec2a [0,0,0,0,0,2|1,0,0]=3 2421 B12R1.255 C/C(=C\COCc1cccs1)/Cl f9221022da9526f724bb696c26b7af94 [0,0,0,0,0,2|1,1,0]=4 2422 B12R1.255 C/C(=C\COCc1ccno1)/Cl 1ecbfc2da26e5866fc1c3973c85727fb [0,0,0,0,0,2|2,0,0]=4 2423 B12R1.255 C/C(=C\COCc1cnco1)/Cl 453969477909a0e16fabd91c91cb4e70 [0,0,0,0,0,2|2,0,0]=4 2424 B12R1.255 C/C(=C\COCc1ncco1)/Cl c468e6712b8b78632b912f15c93d5e64 [0,0,0,0,0,2|2,0,0]=4 2425 B12R1.255 C=C(Br)COCCc1ccco1 8070b7b3aa1a387b8349c092d909783e [0,0,0,0,0,2|1,0,1]=4 2426 B12R1.255 C=C(C)CCCOc1ccco1 8c9da3099592bbe67258ecb0e10136ae [0,0,0,0,0,2|2,0,0]=4 2427 B12R1.255 C=C(C)CCNCc1ccco1 aa2bbc7838299ef6a87dc40a41ba6abd [0,0,0,0,0,2|2,0,0]=4 2428 B12R1.255 C=C(C)CCOCc1ccc[nH]1 2be9e709d1053f404fd8490686ea84da [0,0,0,0,0,2|2,0,0]=4 2429 B12R1.255 C=C(C)CCOCc1ccco1 172c290673ebb58285947b21506e0ed9 [0,0,0,0,0,2|1,0,0]=3 2430 B12R1.255 C=C(C)CCOCc1cccs1 a18b9b014e604ee4a593899da3bbf86e [0,0,0,0,0,2|1,1,0]=4 2431 B12R1.255 C=C(C)CCOCc1ccno1 355dd6a6aee68ed8df3b0df3ba08c484 [0,0,0,0,0,2|2,0,0]=4 2432 B12R1.255 C=C(C)CCOCc1cnco1 cc6bed136a48faf322eab18bda2b195b [0,0,0,0,0,2|2,0,0]=4 2433 B12R1.255 C=C(C)CCOCc1ncco1 02b499a3910303b33b0b005ae24c3c5b [0,0,0,0,0,2|2,0,0]=4 2434 B12R1.255 C=C(C)CNCCc1ccco1 e71ed1eb849ed6ebe64b9b0571b3c248 [0,0,0,0,0,2|2,0,0]=4 2435 B12R1.255 C=C(C)COCCc1ccc[nH]1 c0401f3291422b3bc709eb39561dc98a [0,0,0,0,0,2|2,0,0]=4 2436 B12R1.255 C=C(C)COCCc1ccco1 907540e8bf74f821ffe60c1e7504c1b9 [0,0,0,0,0,2|1,0,0]=3 2437 B12R1.255 C=C(C)COCCc1cccs1 14b4534cc4cc7add15c2b0c4dbd1ebcf [0,0,0,0,0,2|1,1,0]=4 2438 B12R1.255 C=C(Cl)COCCc1ccco1 2c3b024bf711ded8582939733ca1be54 [0,0,0,0,0,2|1,0,1]=4 2439 B12R1.255 C=C(F)COCCc1ccco1 fabeb6b8e88df532bc50fe321cc3b5d4 [0,0,0,0,0,2|1,0,1]=4 2440 B12R1.255 CC(=CCCOc1ccco1)C 6bc62b84b251ae427a2fb85cebcca816 [0,0,0,0,0,2|2,0,0]=4 2441 B12R1.255 CC(=CCNCc1ccco1)C c2b4f727cd04084867c30b306b19d217 [0,0,0,0,0,2|2,0,0]=4 2442 B12R1.255 CC(=CCNCc1ccco1)Cl 5adaf9ed26618a5289f0b7751996ec42 [0,0,0,0,0,2|2,0,0]=4 2443 B12R1.255 CC(=CCNCc1ccco1)I a471fbd65e53e5c33f15d2d2d0cb98eb [0,0,0,0,0,2|2,0,0]=4 2444 B12R1.255 CC(=CCOCc1ccc[nH]1)C 22094bb4c9b509e47a0269cca953f7ce [0,0,0,0,0,2|2,0,0]=4 2445 B12R1.255 CC(=CCOCc1ccc[nH]1)Cl 5bb83334b88e87ebdc2b1a1da837afe4 [0,0,0,0,0,2|2,0,0]=4 2446 B12R1.255 CC(=CCOCc1ccc[nH]1)I 8cec9aa11ca7cc0416c5f2912d732272 [0,0,0,0,0,2|2,0,0]=4 2447 B12R1.255 CC(=CCOCc1ccco1)C d5ab72e91e9438027749c00e393aac05 [0,0,0,0,0,2|1,0,0]=3 2448 B12R1.255 CC(=CCOCc1ccco1)Cl c08ad4bb3f2337969e5b86520b0a3cec [0,0,0,0,0,2|1,0,0]=3 2449 B12R1.255 CC(=CCOCc1ccco1)I 2705d8b90bdba8103f0a3dac07f0344f [0,0,0,0,0,2|1,0,0]=3 2450 B12R1.255 CC(=CCOCc1cccs1)C b5c7ef8c82aefd0ae96086a843517d80 [0,0,0,0,0,2|1,1,0]=4 2451 B12R1.255 CC(=CCOCc1cccs1)Cl daa8d2d5f7afc93ade8642a6ee9a3725 [0,0,0,0,0,2|1,1,0]=4 2452 B12R1.255 CC(=CCOCc1cccs1)I 0b8dc4967361fcc0fbbde38892570279 [0,0,0,0,0,2|1,1,0]=4 2453 B12R1.255 CC(=CCOCc1ccno1)C 3a54350a13221500eb7ca9c9b4f4ead0 [0,0,0,0,0,2|2,0,0]=4 2454 B12R1.255 CC(=CCOCc1ccno1)Cl 30ae309bbc83c3d7769e8d4e9dd3eb5a [0,0,0,0,0,2|2,0,0]=4 2455 B12R1.255 CC(=CCOCc1ccno1)I d5d3c1ea8af95fcd65eb32762596ca00 [0,0,0,0,0,2|2,0,0]=4 2456 B12R1.255 CC(=CCOCc1cnco1)C 7e84a21f55b607ada3d1dbca45b206d3 [0,0,0,0,0,2|2,0,0]=4 2457 B12R1.255 CC(=CCOCc1cnco1)Cl dcfb2bab9889bf21963b70425e3434f1 [0,0,0,0,0,2|2,0,0]=4 2458 B12R1.255 CC(=CCOCc1cnco1)I e2507e2359907f4ad5fada65bda9098c [0,0,0,0,0,2|2,0,0]=4 2459 B12R1.255 CC(=CCOCc1ncco1)C ea709f47424c406190703cd736e068da [0,0,0,0,0,2|2,0,0]=4 2460 B12R1.255 CC(=CCOCc1ncco1)Cl 2a9091b2bb702386034eacbefa7afd79 [0,0,0,0,0,2|2,0,0]=4 2461 B12R1.255 CC(=CCOCc1ncco1)I c0c813dbf67789eeb45e81aeef6a7326 [0,0,0,0,0,2|2,0,0]=4 2462 B12R1.255 CC(=O)CCCNc1cccs1 3533038623349dc11f21a8b98ed58548 [0,0,0,0,0,2|1,1,0]=4 2463 B12R1.255 CC(=O)CCCNc1ccno1 d90977814d3386f2a722ea1b6a2dd6fa [0,0,0,0,0,2|2,0,0]=4 2464 B12R1.255 CC(=O)CCCNc1ncco1 140205b69a990a5c669394310fb9d71c [0,0,0,0,0,2|2,0,0]=4 2465 B12R1.255 CC(=O)CCCOc1ccco1 f00e61f445dc6ee381836d29a67abaed [0,0,0,0,0,2|1,0,0]=3 2466 B12R1.255 CC(=O)CCCOc1cccs1 fdbe6c6ac6d7cc74ad5226a55e50b681 [0,0,0,0,0,2|1,1,0]=4 2467 B12R1.255 CC(=O)CCNCc1ccc[nH]1 9b5627f8ee979e3cb705edcf1121d22b [0,0,0,0,0,2|2,0,0]=4 2468 B12R1.255 CC(=O)CCNCc1ccco1 88fb4b8d3b60021a60c70d858800ba28 [0,0,0,0,0,2|1,0,0]=3 2469 B12R1.255 CC(=O)CCNCc1cccs1 434fcc6d3b3186d12b3fd048a811c33a [0,0,0,0,0,2|1,1,0]=4 2470 B12R1.255 CC(=O)CCNCc1ccno1 c410d1594efe47d1abed6e0247487d72 [0,0,0,0,0,2|2,0,0]=4 2471 B12R1.255 CC(=O)CCNCc1cnco1 92a9a7e0777b7bee0d224228f33b19d0 [0,0,0,0,0,2|2,0,0]=4 2472 B12R1.255 CC(=O)CCNCc1ncco1 bc4fc3302009666aacf55aa22ad007fb [0,0,0,0,0,2|2,0,0]=4 2473 B12R1.255 CC(=O)CCOCc1cc[nH]c1 f04073e125d614033bab1399c36f9df6 [0,0,0,0,0,2|2,0,0]=4 2474 B12R1.255 CC(=O)CCOCc1ccc[nH]1 7c081328c3e3b08c6b1076a30ffe4717 [0,0,0,0,0,2|1,0,0]=3 2475 B12R1.255 CC(=O)CCOCc1ccco1 8c882a70fc6ceb65186f83d1f22dd2e7 [0,0,0,0,0,2|0,0,0]=2 2476 B12R1.255 CC(=O)CCOCc1cccs1 f16401d6798282ad4782e7afe706d353 [0,0,0,0,0,2|0,1,0]=3 2477 B12R1.255 CC(=O)CCOCc1ccn[nH]1 a73cb3940a8a2914466dc57562ca0d00 [0,0,0,0,0,2|2,0,0]=4 2478 B12R1.255 CC(=O)CCOCc1ccno1 507da36c33af30c1f34f5c29ed017d7f [0,0,0,0,0,2|1,0,0]=3 2479 B12R1.255 CC(=O)CCOCc1ccns1 2919a51b804c50025086c2a4f7f99338 [0,0,0,0,0,2|1,1,0]=4 2480 B12R1.255 CC(=O)CCOCc1ccon1 0dc387c1bf7dfbd801e95be24ca6bb8e [0,0,0,0,0,2|2,0,0]=4 2481 B12R1.255 CC(=O)CCOCc1ccsc1 1fd82edcecefe8ebb4695e8fcbb37c1b [0,0,0,0,0,2|2,0,0]=4 2482 B12R1.255 CC(=O)CCOCc1ccsn1 d229f3ee6b3cfc9d5096b90e6c2ce49e [0,0,0,0,0,2|2,0,0]=4 2483 B12R1.255 CC(=O)CCOCc1cnc[nH]1 4a9deafd9e4444915abff7a625273e76 [0,0,0,0,0,2|2,0,0]=4 2484 B12R1.255 CC(=O)CCOCc1cnco1 f8b19a4ebfa304050e17334f691dcc5a [0,0,0,0,0,2|1,0,0]=3 2485 B12R1.255 CC(=O)CCOCc1cncs1 4789db9d2571d10f5a7e7b538fb7bd33 [0,0,0,0,0,2|1,1,0]=4 2486 B12R1.255 CC(=O)CCOCc1cocn1 1622482a6e31cab11085fbbab0455e7a [0,0,0,0,0,2|2,0,0]=4 2487 B12R1.255 CC(=O)CCOCc1cscn1 8edd21b293c2d0cb4750360b85f594e0 [0,0,0,0,0,2|2,0,0]=4 2488 B12R1.255 CC(=O)CCOCc1ncc[nH]1 c7f59610045088221dd08d7d00227bb8 [0,0,0,0,0,2|2,0,0]=4 2489 B12R1.255 CC(=O)CCOCc1ncco1 8a3958338e4d53bac1c6546aaeee1dbf [0,0,0,0,0,2|1,0,0]=3 2490 B12R1.255 CC(=O)CCOCc1nccs1 5b2a8c0e5d4e062d8248cea8ae2eee21 [0,0,0,0,0,2|1,1,0]=4 2491 B12R1.255 CC(=O)CCOCc1ncno1 728276fdb82d205bc76200ea9f471a04 [0,0,0,0,0,2|2,0,0]=4 2492 B12R1.255 CC(=O)CCOCc1nnco1 fe0ee6f5150e92da8d614b10ab6dc41c [0,0,0,0,0,2|2,0,0]=4 2493 B12R1.255 CC(=O)CCOCn1cccn1 6e7981d297c3277015f7b818e7fd0363 [0,0,0,0,0,2|2,0,0]=4 2494 B12R1.255 CC(=O)CNCCc1cccs1 28b073b661eeda62f9d1e15484e88d1d [0,0,0,0,0,2|1,1,0]=4 2495 B12R1.255 CC(=O)COCCc1c[nH]cn1 0a56221cbbdf6c49090c154287c279c1 [0,0,0,0,0,2|2,0,0]=4 2496 B12R1.255 CC(=O)COCCc1cccs1 1429fcea1ed51e0c2471b3e0c0959bfd [0,0,0,0,0,2|0,1,0]=3 2497 B12R1.255 CC(=O)COCCc1ccsc1 3824e425c43dcede0504c2629ef9084e [0,0,0,0,0,2|2,0,0]=4 2498 B12R1.255 CC(=O)COCCc1cscn1 b9a3e9df1321a07945d98942e39898b6 [0,0,0,0,0,2|2,0,0]=4 2499 B12R1.255 CC(=O)COCCn1cccc1 51960d310632351e39b28064262d8a55 [0,0,0,0,0,2|2,0,0]=4 2500 B12R1.255 CC(=O)COCCn1cccn1 c44d11b7c06afdaea28682c6ebe8e7f9 [0,0,0,0,0,2|2,0,0]=4 2501 B12R1.255 CC(=O)NCCCc1ccco1 e1aa4320962591f5a687835bb172466e [0,0,0,0,0,2|1,0,0]=3 2502 B12R1.255 CC(=O)NCCCc1cccs1 917fd69e3534cdf219a2d9a26477a872 [0,0,0,0,0,2|1,1,0]=4 2503 B12R1.255 CC(=O)NCCNc1ccco1 02d7c9de06ca612458e46496608e10cd [0,0,0,0,0,2|1,0,0]=3 2504 B12R1.255 CC(=O)NCCNc1cccs1 2521f2a8f803be736c1d1fa5bf67eb80 [0,0,0,0,0,2|1,1,0]=4 2505 B12R1.255 CC(=O)NCCNc1ccno1 9faa9e61ad821504ce5acd8739c41265 [0,0,0,0,0,2|2,0,0]=4 2506 B12R1.255 CC(=O)NCCNc1ncco1 ba9b48e8f94f54139f4c543f62fd7d6f [0,0,0,0,0,2|2,0,0]=4 2507 B12R1.255 CC(=O)NCCOc1ccco1 6bb64cc5c3c8c0629b7d67f0d9b5b754 [0,0,0,0,0,2|1,0,0]=3 2508 B12R1.255 CC(=O)NCCOc1cccs1 0352caf0d8868c165ffebe393229173e [0,0,0,0,0,2|1,1,0]=4 2509 B12R1.255 CC(=O)NCOCc1ccco1 10c99e6a3e71803ab2933516b8c03932 [0,0,0,0,0,2|0,0,0]=2 2510 B12R1.255 CC(=O)NCOCc1cccs1 8801ae8ae3fe9f550173b61a2e88b077 [0,0,0,0,0,2|0,1,0]=3 2511 B12R1.255 CC(=O)NCOCc1ccno1 170b210256575eb149ba65f2ee8cc533 [0,0,0,0,0,2|1,0,0]=3 2512 B12R1.255 CC(=O)NCOCc1ccon1 4bd225bb222c4b0f3ed63de6645ad2e0 [0,0,0,0,0,2|2,0,0]=4 2513 B12R1.255 CC(=O)NCOCc1ccsc1 9da784a1da00010eea46c0388193f5f2 [0,0,0,0,0,2|2,0,0]=4 2514 B12R1.255 CC(=O)NCOCc1cnc[nH]1 d9419f984af4e548b7d2c88d06d72a82 [0,0,0,0,0,2|2,0,0]=4 2515 B12R1.255 CC(=O)NCOCc1cocn1 1cbe4a493dca987102731d216dc1d2c3 [0,0,0,0,0,2|2,0,0]=4 2516 B12R1.255 CC(=O)NCOCc1cscn1 e6b05eb03f6204bc35728f6046b7ec4a [0,0,0,0,0,2|2,0,0]=4 2517 B12R1.255 CC(=O)NCOCc1ncc[nH]1 f8488d682d60601adb51dfc1237721e7 [0,0,0,0,0,2|2,0,0]=4 2518 B12R1.255 CC(=O)NCOCc1ncco1 e311cb9d26c42c0f25b713f7ef157684 [0,0,0,0,0,2|1,0,0]=3 2519 B12R1.255 CC(=O)NCOCc1nccs1 5642ccff4815f8807c8777d76dd42c9c [0,0,0,0,0,2|1,1,0]=4 2520 B12R1.255 CC(=O)NCOCc1ncno1 b3582fab902953dd1562dca436a08e95 [0,0,0,0,0,2|2,0,0]=4 2521 B12R1.255 CC(=O)NCOCc1nnco1 1af1c3fa632314207c10852a0b07680b [0,0,0,0,0,2|2,0,0]=4 2522 B12R1.255 CC(=O)OCCNc1cc[nH]n1 1c663701a8e203a4c64724c789b8b902 [0,0,0,0,0,2|2,0,0]=4 2523 B12R1.255 CC(=O)OCCNc1cccs1 fe698497c2f5a7b4634f770efc9fbbd5 [0,0,0,0,0,2|0,1,0]=3 2524 B12R1.255 CC(=O)OCCNc1ccno1 73aa7dd9f2e35b34088a13ee167d2ef1 [0,0,0,0,0,2|1,0,0]=3 2525 B12R1.255 CC(=O)OCCNc1ccns1 1ecb8d1445f71e6f0f07287d897b493e [0,0,0,0,0,2|1,1,0]=4 2526 B12R1.255 CC(=O)OCCNc1ccon1 2a7f737c533b3943573116b0445f3b8b [0,0,0,0,0,2|2,0,0]=4 2527 B12R1.255 CC(=O)OCCNc1ccsc1 5b2a1b0ab1f5e93dcf7dcf8ccf0df365 [0,0,0,0,0,2|2,0,0]=4 2528 B12R1.255 CC(=O)OCCNc1cncs1 406a58e0c50f9ed1d8efd92efe9b0593 [0,0,0,0,0,2|1,1,0]=4 2529 B12R1.255 CC(=O)OCCNc1cocn1 56167c08550762f9111a628d85d1f4f0 [0,0,0,0,0,2|2,0,0]=4 2530 B12R1.255 CC(=O)OCCNc1cscn1 5c84614e5f6fd3adaf948216ffa1d023 [0,0,0,0,0,2|2,0,0]=4 2531 B12R1.255 CC(=O)OCCNc1ncc[nH]1 a8ba833590c30c28002e88bd42705b0c [0,0,0,0,0,2|2,0,0]=4 2532 B12R1.255 CC(=O)OCCNc1ncco1 e9dfbe49593d08788d35f7e204f8eb83 [0,0,0,0,0,2|1,0,0]=3 2533 B12R1.255 CC(=O)OCCNc1nccs1 a81052f18d99f8664ef38c9cd42786cd [0,0,0,0,0,2|1,1,0]=4 2534 B12R1.255 CC(=O)OCCNc1nnco1 e9420c2e7187b5cfbdb10757ed290247 [0,0,0,0,0,2|2,0,0]=4 2535 B12R1.255 CC(=O)OCCOc1c[nH]cn1 9e115b46cd03b5729128a042e6bc6ae0 [0,0,0,0,0,2|2,0,0]=4 2536 B12R1.255 CC(=O)OCCOc1ccco1 8c68d713ece66b6ffb83b011b9d2449f [0,0,0,0,0,2|0,0,0]=2 2537 B12R1.255 CC(=O)OCCOc1cccs1 169b1d0f25fc492249ecd6050e668ba0 [0,0,0,0,0,2|0,1,0]=3 2538 B12R1.255 CC(=O)OCCOc1ccn[nH]1 2800384bc2a3df413b590df7a3026332 [0,0,0,0,0,2|2,0,0]=4 2539 B12R1.255 CC(=O)OCCOc1ccsc1 c4f01c11a781f6a40d785373e3dfa616 [0,0,0,0,0,2|2,0,0]=4 2540 B12R1.255 CC(=O)OCCOc1nccs1 dea825aabb32d3702bd1a2e8feaf3614 [0,0,0,0,0,2|1,1,0]=4 2541 B12R1.255 CC(=O)OCCOn1cccn1 0f02ea0dc52f81e2bb9820423f5986e3 [0,0,0,0,0,2|2,0,0]=4 2542 B12R1.255 CC(=O)OCNCc1cc[nH]c1 34e284411fc08e9074d68daa9f5d3f96 [0,0,0,0,0,2|2,0,0]=4 2543 B12R1.255 CC(=O)OCNCc1ccc[nH]1 aff1fefb10670d83920c7fb35b6e4b8b [0,0,0,0,0,2|1,0,0]=3 2544 B12R1.255 CC(=O)OCNCc1ccco1 dc3bad65438da0ec925d64c99fc4dd0b [0,0,0,0,0,2|0,0,0]=2 2545 B12R1.255 CC(=O)OCNCc1cccs1 6187085c5e41f58018c5b643b59dabfe [0,0,0,0,0,2|0,1,0]=3 2546 B12R1.255 CC(=O)OCNCc1ccn[nH]1 12ab8e362cbaddb5efda5385ee03ff31 [0,0,0,0,0,2|2,0,0]=4 2547 B12R1.255 CC(=O)OCNCc1ccno1 83919a9efaae26cfb138b0fbb0f22b52 [0,0,0,0,0,2|1,0,0]=3 2548 B12R1.255 CC(=O)OCNCc1ccns1 3abd5e77144cb149648cbf92bb4d9fd2 [0,0,0,0,0,2|1,1,0]=4 2549 B12R1.255 CC(=O)OCNCc1ccoc1 b828ad9330c794fd372e381e41706b19 [0,0,0,0,0,2|2,0,0]=4 2550 B12R1.255 CC(=O)OCNCc1ccon1 e6afa533007f7cfe7a9fe37a6169bd70 [0,0,0,0,0,2|2,0,0]=4 2551 B12R1.255 CC(=O)OCNCc1ccsc1 c90380da7a0a7dee9b434791dca2b042 [0,0,0,0,0,2|2,0,0]=4 2552 B12R1.255 CC(=O)OCNCc1ccsn1 1596a38778747b198753dcfcaee55b96 [0,0,0,0,0,2|2,0,0]=4 2553 B12R1.255 CC(=O)OCNCc1cnco1 7375b242e22de0efbd943461563bf1f4 [0,0,0,0,0,2|1,0,0]=3 2554 B12R1.255 CC(=O)OCNCc1cncs1 6e17a568b27a561ebe53ee64473f69f4 [0,0,0,0,0,2|1,1,0]=4 2555 B12R1.255 CC(=O)OCNCc1cocn1 0b4528784c39c3dec6e678495f1473ae [0,0,0,0,0,2|2,0,0]=4 2556 B12R1.255 CC(=O)OCNCc1cscn1 a1c58c2a712cf80e6fef29c11907648e [0,0,0,0,0,2|2,0,0]=4 2557 B12R1.255 CC(=O)OCNCc1ncc[nH]1 562e3465250db845e5ba1d98be4d4e05 [0,0,0,0,0,2|2,0,0]=4 2558 B12R1.255 CC(=O)OCNCc1ncco1 c7cd7e4ad44da595349937e6560ecc86 [0,0,0,0,0,2|1,0,0]=3 2559 B12R1.255 CC(=O)OCNCc1nccs1 5adfb2263bc6ade3405765372eebb686 [0,0,0,0,0,2|1,1,0]=4 2560 B12R1.255 CC(=O)OCOCc1cc[nH]c1 c183f67f1242d41df342370852a07247 [0,0,0,0,0,2|2,0,0]=4 2561 B12R1.255 CC(=O)OCOCc1ccc[nH]1 7c6d5af61c4ae9052635c09455fa5cb6 [0,0,0,0,0,2|1,0,0]=3 2562 B12R1.255 CC(=O)OCOCc1ccco1 b4c1e1e90975e5a59f904fb08792cf48 [0,0,0,0,0,2|0,0,0]=2 2563 B12R1.255 CC(=O)OCOCc1cccs1 d0a768db9043c08159530735f4d00ce4 [0,0,0,0,0,2|0,1,0]=3 2564 B12R1.255 CC(=O)OCOCc1ccn[nH]1 c545fe590d853a56ca850111da1ccd8b [0,0,0,0,0,2|2,0,0]=4 2565 B12R1.255 CC(=O)OCOCc1ccno1 3f50e4f8c00c52b37c9b02f2be73fc12 [0,0,0,0,0,2|1,0,0]=3 2566 B12R1.255 CC(=O)OCOCc1ccns1 5e7e5591c8f8ab121d4ccebbfe4000dc [0,0,0,0,0,2|1,1,0]=4 2567 B12R1.255 CC(=O)OCOCc1ccoc1 d287f1e9febf374ef7dab67e0d7f9c4f [0,0,0,0,0,2|2,0,0]=4 2568 B12R1.255 CC(=O)OCOCc1ccon1 89108a2692e7963a1b9bce8abac892f2 [0,0,0,0,0,2|2,0,0]=4 2569 B12R1.255 CC(=O)OCOCc1ccsc1 917d38116239444d1aa6d7fc72bfeb81 [0,0,0,0,0,2|2,0,0]=4 2570 B12R1.255 CC(=O)OCOCc1ccsn1 d730980be867a3697f1fb857cc8e7a4a [0,0,0,0,0,2|2,0,0]=4 2571 B12R1.255 CC(=O)OCOCc1cnc[nH]1 d5ec9ec74776c546016d70f06afe6fb9 [0,0,0,0,0,2|2,0,0]=4 2572 B12R1.255 CC(=O)OCOCc1cnco1 574d971a01c2b24758bb2f7b198c9bf9 [0,0,0,0,0,2|1,0,0]=3 2573 B12R1.255 CC(=O)OCOCc1cncs1 bffb63e2704cfbccfbc42fcc9ca5f5de [0,0,0,0,0,2|1,1,0]=4 2574 B12R1.255 CC(=O)OCOCc1cocn1 bf4a8a5cefa079cbb9612f05acc02838 [0,0,0,0,0,2|2,0,0]=4 2575 B12R1.255 CC(=O)OCOCc1cscn1 65d8ae8d374311b5d5241083e0e3cc46 [0,0,0,0,0,2|2,0,0]=4 2576 B12R1.255 CC(=O)OCOCc1ncc[nH]1 b212f2d42d8d34aa0f870a0dd133a990 [0,0,0,0,0,2|2,0,0]=4 2577 B12R1.255 CC(=O)OCOCc1ncco1 77d7cff900511ef0eb94d4b2346d905b [0,0,0,0,0,2|1,0,0]=3 2578 B12R1.255 CC(=O)OCOCc1nccs1 3fbdc50438bb0ecaa0036615f52df878 [0,0,0,0,0,2|1,1,0]=4 2579 B12R1.255 CC(=O)OCOCc1ncno1 98f5f445c9766f36afaf67401ce14771 [0,0,0,0,0,2|2,0,0]=4 2580 B12R1.255 CC(=O)OCOCc1nnco1 a7eb724a410cd1bfb2c9f7c2bbf5da7e [0,0,0,0,0,2|2,0,0]=4 2581 B12R1.255 CC(=O)OCOCn1cccn1 8a3450af43718f2f4203c3b2d43d1fba [0,0,0,0,0,2|2,0,0]=4 2582 B12R1.255 CC(=O)SCCNc1cccs1 57567ee9fe3ccfe39354f36f5ccc582b [0,0,0,0,0,2|0,2,0]=4 2583 B12R1.255 CC(=O)SCCNc1ccno1 ce7f99d07340a46ec6df389a561b0a06 [0,0,0,0,0,2|1,1,0]=4 2584 B12R1.255 CC(=O)SCCNc1ncco1 1c3fb2d914400c50d798fd40e860cabf [0,0,0,0,0,2|1,1,0]=4 2585 B12R1.255 CC(=O)SCCOc1ccco1 1b65e07bf700c69aaf49b8c86dac647c [0,0,0,0,0,2|0,1,0]=3 2586 B12R1.255 CC(=O)SCCOc1cccs1 5821f5d023d9347fee830d2270c1abc4 [0,0,0,0,0,2|0,2,0]=4 2587 B12R1.255 CC(C)CCOCc1ccco1 dea6f0e1643601988f69fd6498c08a87 [0,0,0,0,0,2|1,0,1]=4 2588 B12R1.255 CC(C)COCCc1ccco1 a14e1c063b13d5dfb226ed4ae28ba944 [0,0,0,0,0,2|1,0,1]=4 2589 B12R1.255 CC(C)OCCCc1ccco1 12c76d8e5532bb5378a87d0a2d018feb [0,0,0,0,0,2|1,0,1]=4 2590 B12R1.255 CC(C)OCCNc1ccco1 2ae00eb00ea1b81dfbd3ba052f1ce433 [0,0,0,0,0,2|1,0,1]=4 2591 B12R1.255 CC(C)OCCOc1ccco1 3524f9c63c0a58b96ea19775048be154 [0,0,0,0,0,2|1,0,1]=4 2592 B12R1.255 CC(C)OCNCc1ccco1 f03b53c0255e24bd76b71a6e1a488c8b [0,0,0,0,0,2|1,0,1]=4 2593 B12R1.255 CC(C)OCOCc1ccco1 f7f97f1d95c060bd72b5276bfc5cbdb1 [0,0,0,0,0,2|1,0,1]=4 2594 B12R1.255 CN(C)CCOCc1ccco1 2d62c09a106b5486790d99dc5772f6c9 [0,0,0,0,0,2|2,0,0]=4 2595 B12R1.255 CN(C)COCCc1ccco1 a3d956be79453f283b158700ba4ae055 [0,0,0,0,0,2|2,0,0]=4 2596 B12R1.255 CS(=O)CCCNc1ccco1 19bfd1f328cc14e59da1d89ef4b3da42 [0,0,0,0,0,2|2,0,0]=4 2597 B12R1.255 CS(=O)CCNCc1ccco1 b737497c8697f0ad0e3ca42a3d2a992f [0,0,0,0,0,2|2,0,0]=4 2598 B12R1.255 CS(=O)CCOCc1ccc[nH]1 7f197ccf72f753a61f77cb321aee0068 [0,0,0,0,0,2|2,0,0]=4 2599 B12R1.255 CS(=O)CCOCc1ccco1 02ab9022b0992dd6022fc561b068d5bb [0,0,0,0,0,2|1,0,0]=3 2600 B12R1.255 CS(=O)CCOCc1cccs1 25141d7074221dbdcf8369d8cbea0095 [0,0,0,0,0,2|1,1,0]=4 2601 B12R1.255 CS(=O)CCOCc1ccno1 213c97213b85e712ce7b8b9f393b4013 [0,0,0,0,0,2|2,0,0]=4 2602 B12R1.255 CS(=O)CCOCc1cnco1 fc00f4fb70fdbb6b0d71717cac72ab58 [0,0,0,0,0,2|2,0,0]=4 2603 B12R1.255 CS(=O)CCOCc1ncco1 f82aea6ce8c14a4670ae2a2c8374b378 [0,0,0,0,0,2|2,0,0]=4 2604 B12R1.255 ClC(=CCOCc1ccco1)Cl 631e1bfa4359b953102a9cb3213a2058 [0,0,0,0,0,2|2,0,0]=4 2605 B12R1.255 NC(=O)CCCNc1ccco1 d84b09fa6976aee43832de9f84197dd9 [0,0,0,0,0,2|2,0,0]=4 2606 B12R1.255 NC(=O)CCCOc1ccco1 be41c46089666e90a9f44a08f40e4106 [0,0,0,0,0,2|2,0,0]=4 2607 B12R1.255 NC(=O)CCNCc1ccco1 bee65c52841635f84a969050dc7f5716 [0,0,0,0,0,2|2,0,0]=4 2608 B12R1.255 NC(=O)CCOCc1ccc[nH]1 18215275dbd5d82f9511c2bb85df09ce [0,0,0,0,0,2|2,0,0]=4 2609 B12R1.255 NC(=O)CCOCc1ccco1 397d619d2cb4dc72797733ce85744f41 [0,0,0,0,0,2|1,0,0]=3 2610 B12R1.255 NC(=O)CCOCc1cccs1 df428fd0a6de2e62e723f39cf2774749 [0,0,0,0,0,2|1,1,0]=4 2611 B12R1.255 NC(=O)CCOCc1ccno1 ee10ba7537db23c296b87ccbd49d8fad [0,0,0,0,0,2|2,0,0]=4 2612 B12R1.255 NC(=O)CCOCc1cnco1 2434068797c3db30a80c2b5245bdbfba [0,0,0,0,0,2|2,0,0]=4 2613 B12R1.255 NC(=O)CCOCc1ncco1 2bf2c826f08bc9ffe44d6d1dd454333c [0,0,0,0,0,2|2,0,0]=4 2614 B12R1.255 NC(=O)CNCCc1ccco1 2386bc25c1b740c7b496e40a490c4751 [0,0,0,0,0,2|2,0,0]=4 2615 B12R1.255 NC(=O)COCCc1ccc[nH]1 3801a0fb46cdbf4bd0a7ce3b75496018 [0,0,0,0,0,2|2,0,0]=4 2616 B12R1.255 NC(=O)COCCc1ccco1 8e492066101a0c94b4a65dc01bc09c74 [0,0,0,0,0,2|1,0,0]=3 2617 B12R1.255 NC(=O)COCCc1cccs1 41ff161c28076d54bb5385a194411e23 [0,0,0,0,0,2|1,1,0]=4 2618 B12R1.255 NC(=O)NCCOc1ccco1 bc5c6fa4693dea19c767ad0f8c325bea [0,0,0,0,0,2|2,0,0]=4 2619 B12R1.255 NC(=O)NCOCc1ccco1 84230926f3768909b55827f3243e90d6 [0,0,0,0,0,2|1,0,0]=3 2620 B12R1.255 NC(=O)NCOCc1cccs1 6b80d9819fb5fc0063945fe57a52e3fb [0,0,0,0,0,2|1,1,0]=4 2621 B12R1.255 NC(=O)NCOCc1ccno1 bdab76fc05e3fbb3c62069b77e3beb1f [0,0,0,0,0,2|2,0,0]=4 2622 B12R1.255 NC(=O)NCOCc1ncco1 8c6db3736c7c0211d902821d495f894c [0,0,0,0,0,2|2,0,0]=4 2623 B12R1.255 NC(=O)SCNCc1ccco1 0cba9211bd548f770b2a3801b5cb30e3 [0,0,0,0,0,2|1,1,0]=4 2624 B12R1.255 NC(=O)SCOCc1ccc[nH]1 f92ccb0e8aeb83a79b6bbcd470c77814 [0,0,0,0,0,2|2,0,0]=4 2625 B12R1.255 NC(=O)SCOCc1ccco1 7c26efba372911407d5cb52e5dac426f [0,0,0,0,0,2|1,0,0]=3 2626 B12R1.255 NC(=O)SCOCc1ccno1 01d9bb81f576be70ade14262375964a8 [0,0,0,0,0,2|2,0,0]=4 2627 B12R1.255 NC(=O)SCOCc1cnco1 3aeccd5d3c3a6bc9970fa846ee0e94f2 [0,0,0,0,0,2|2,0,0]=4 2628 B12R1.255 NC(=O)SCOCc1ncco1 2b64c9413dae0b9e5698b315e833458d [0,0,0,0,0,2|2,0,0]=4 2629 B12R1.255 O=C(O)/C=C/CNc1ccco1 794c0da286be14f31f34f8ade05364e8 [0,0,0,0,0,2|2,0,0]=4 2630 B12R1.255 O=C(O)/C=C/COc1ccco1 6d9949f1ea9b9647c046f9c0a6931206 [0,0,0,0,0,2|2,0,0]=4 2631 B12R1.255 O=C(O)C=CCNc1ccco1 8309aa62a33cd307763bbb3db08e63f2 [0,0,0,0,0,2|2,0,0]=4 2632 B12R1.255 O=C(O)C=CCOc1ccco1 a93476cd3abeb104354bb5d6da890562 [0,0,0,0,0,2|2,0,0]=4 2633 B12R1.255 O=C(O)CCCNc1ccco1 995ff1a97334958a77d2ee3a19db3675 [0,0,0,0,0,2|2,0,0]=4 2634 B12R1.255 O=C(O)CCNCc1ccco1 89dcc1ed80fd55a3e3c97ab7f636d98b [0,0,0,0,0,2|2,0,0]=4 2635 B12R1.255 O=C(O)CCOCc1ccc[nH]1 becf30b1be8d12dbc272a6ce3619dbc8 [0,0,0,0,0,2|2,0,0]=4 2636 B12R1.255 O=C(O)CCOCc1ccco1 7243f80b0fccc8a9962867c7b8d09265 [0,0,0,0,0,2|1,0,0]=3 2637 B12R1.255 O=C(O)CCOCc1cccs1 25b0fe034d6513a12e96e7c8c2786577 [0,0,0,0,0,2|1,1,0]=4 2638 B12R1.255 O=C(O)CCOCc1ccno1 674f2c0570dc8712a998c68f52ec6b1a [0,0,0,0,0,2|2,0,0]=4 2639 B12R1.255 O=C(O)CCOCc1ncco1 dfe52d8d9920f44ec5b1d9fe77e44c2a [0,0,0,0,0,2|2,0,0]=4 2640 B12R1.255 O=C(O)CNCCc1ccco1 b120de61f4d3984fe919620d8a506603 [0,0,0,0,0,2|2,0,0]=4 2641 B12R1.255 O=C(O)COCCc1ccc[nH]1 9f34bf1cccb6be58035f2d3ef0d72327 [0,0,0,0,0,2|2,0,0]=4 2642 B12R1.255 O=C(O)COCCc1ccco1 130df2e9052ca471804d7f84477f7c34 [0,0,0,0,0,2|1,0,0]=3 2643 B12R1.255 O=C(O)COCCc1cccs1 b27ce86f71ac660c5a477d011ca45db0 [0,0,0,0,0,2|1,1,0]=4 2644 B12R1.255 O=[N+]([O-])CCOCc1ccco1 00c2d49cf1ffd6dddafeeda1793fdc84 [0,0,0,0,0,2|2,0,0]=4 2645 B12R1.255 O=[N+]([O-])COCCc1ccco1 06b2066db30aa97dfcf02d77e38929c3 [0,0,0,0,0,2|2,0,0]=4