0 B11R1.90 C=C(C)CNc1oncc1C a9b45a6bee91e3ef7c4fca49d74bf1c2 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.90 C=C(C)CNc1sccc1C 05b059ef267ab915c9f821392b963753 [0,0,0,0,0,0|1,1,2]=4 2 B11R1.90 CC(=O)NCc1cccn1C c151d1f61aa9cd59abb8cce6e932be56 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.90 CC(=O)NCc1ccoc1C d4bf342ef095f84c20b4b56088d719c3 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.90 CC(=O)NCc1nccn1C 77e32c6fa27f08a1c2c3d9ffa5da6e3a [0,0,0,0,0,0|4,0,0]=4 5 B11R1.90 CC(=O)NCc1ncoc1C 45d2d5362019d7f10f1974d937ea79ad [0,0,0,0,0,0|4,0,0]=4 6 B11R1.90 CC(=O)NCc1nocc1C 6c27413e56b465c6f7e15dd994363f1f [0,0,0,0,0,0|4,0,0]=4 7 B11R1.90 CC(=O)NCc1occc1C 6dcfcfae995904333b31ef08b1e3652a [0,0,0,0,0,0|2,0,0]=2 8 B11R1.90 CC(=O)NCc1sccc1Br aa8241562c41a8b68afd8977c5e634b3 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.90 CC(=O)NCc1sccc1Cl 469e4ea001d68b0cdcf3b2b0e26a3aef [0,0,0,0,0,0|3,1,0]=4 10 B11R1.90 CC(=O)NCc1sccc1F b59507f5337bd9b9f20d21f304068893 [0,0,0,0,0,0|3,1,0]=4 11 B11R1.90 CC(=O)NCc1scnc1C 589e78d4eb9f0a6d802bb730d38ce454 [0,0,0,0,0,0|3,1,0]=4 12 B11R1.90 CC(C)NCc1cccn1C c6fc5f8d705500a60070e76fa2869c51 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.90 CC(C)NCc1nccn1C 1d5e46288da16ed807562b775b894115 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.90 CC(C)NCc1sccc1Cl 761f8ceea94b6e5c7f99700833619ca9 [0,0,0,0,0,0|2,1,1]=4 15 B11R1.90 CC(C)NCc1sccc1F bb2386efdf8df63e79046def75caf0b6 [0,0,0,0,0,0|2,1,1]=4 16 B11R1.90 CC(C)OCc1cccn1C dc258659f2c47022cf6f5688045bfd42 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.90 CC(C)OCc1nccn1C c405770e48e51fa58ce865f9bc0d8287 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.90 CC(C)OCc1occc1Br 5e499d8c54a43fe9cdc83e61ba5cb317 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.90 CC(C)OCc1sccc1Cl f3fa22cd47ef1a329457681991455a71 [0,0,0,0,0,0|2,1,1]=4 20 B11R1.90 Cc1[nH]cnc1CNC(C)C e64a9d7d520c74b97a3325691d27e2d9 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.90 Cc1[nH]cnc1COC(C)C 5926bded551dc37727c5d125e9ce7081 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.90 Cc1c[nH]nc1COC(C)C 767c6d6c21f797bcfc9dabe867d41bb8 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.90 Cc1ccoc1CNC(C)C 4cb35c14cd660170583bb58b2ce11c75 [0,0,0,0,0,0|1,0,1]=2 24 B11R1.90 Cc1ccoc1COC(C)C 53ce2525eea58424e691bb0419bcb258 [0,0,0,0,0,0|1,0,1]=2 25 B11R1.90 Cc1cnoc1COC(C)C 02290925aafd04a4442ef25d7f528f7b [0,0,0,0,0,0|2,0,1]=3 26 B11R1.90 Cc1cnoc1NCC(C)C aa484e4129e3add0eea9574316f3b899 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.90 Cc1cnoc1NCN(C)C 8eac9a4926d569a8d5a4a2631c0e6ae8 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.90 Cc1cscc1COC(C)C 006605a261a6c1daad28900b9bf80c93 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.90 Cc1ncoc1COC(C)C ddd054a1676efc2bf2c8f9d19e17079a [0,0,0,0,0,0|2,0,1]=3 30 B11R1.90 Cc1ncsc1CNC(C)C a985b3b6952bc9dae50718f7e18651f1 [0,0,0,0,0,0|2,1,1]=4 31 B11R1.90 Cc1ncsc1COC(C)C 77bffa14fb367206ae7c1269caca4d67 [0,0,0,0,0,0|2,1,1]=4 32 B11R1.90 Cc1occc1CNC(C)C 17abcd4fdf9255353b63518ff11bab95 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.90 Cc1occc1COC(C)C f7f6019c6f0e9e0ddc81d3677321bdaf [0,0,0,0,0,0|3,0,1]=4 34 B11R1.90 Cc1ocnc1CNC(C)C b0bfd59472c5f84a95bff84b4acf96d5 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.90 Cc1ocnc1COC(C)C 4a34e09defbf1002c5857ed3d38e2c50 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.90 Cc1scnc1COC(C)C 6431b6f83846e0e4fd6589bef0911f97 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.29 CCNCc1occc1C 9ef238004378a81a0f74d5a2034266a3 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.29 CCOCc1occc1Br 091ac4b360c592cc4f7db4a049ac0a99 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.29 CCOCc1occc1C e7df444d3db70c6d7ce1aeb39d71e1ae [1,0,0,0,0,0|1,0,1]=3 40 B10R1.29 CCOCc1ocnc1C f1dadf16dcac5a44fda51d454c25e0ef [1,0,0,0,0,0|2,0,1]=4 41 B10R1.29 CCOCc1oncc1C 87c8fc5b2cb8cd05938ef66a5fbe1201 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.29 CCOCc1sccc1C 928528f7c346be07c81d918139c5ea3e [1,0,0,0,0,0|1,1,1]=4 43 B10R1.29 Cc1ccoc1CNC=O 4166e7e09b9e12df33d142c718b4889d [1,0,0,0,0,0|2,0,0]=3 44 B10R1.29 Cc1ccoc1CNCF 7b90ffac2b3622c1b5bd007449c27acf [1,0,0,0,0,0|2,0,1]=4 45 B10R1.29 Cc1ccoc1CNCO 3b1ec24b65f1554651ff21c7bec117dc [1,0,0,0,0,0|2,0,1]=4 46 B10R1.29 Cc1ccoc1COCF 1d5154e89e1774674d960ff6e2f2ac51 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.66 C=C(C)COc1ccco1 b3f905ff0261eb167bbdc638ad76153d [1,0,0,0,0,0|1,0,2]=4 48 B10R1.66 CC(=CCN1CC=CC1)C 56a0b9f3887f43abb9c56ddb641ae327 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.66 CC(=O)CNc1ccco1 a59c8e4ff03257d947231d2e71f4d6c9 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.66 CC(=O)NCc1ccco1 88956646aad494b49b38617dc9c4b71b [1,0,0,0,0,0|2,0,0]=3 51 B10R1.66 CC(=O)NCc1cccs1 f628a56aae62b1b399cb045563e5a584 [1,0,0,0,0,0|2,1,0]=4 52 B10R1.66 CC(=O)NCc1ccno1 23171c461f7c76fb2a080276054f467a [1,0,0,0,0,0|3,0,0]=4 53 B10R1.66 CC(=O)NCc1cnco1 2f9cdc814f8776fe414302b1109682db [1,0,0,0,0,0|3,0,0]=4 54 B10R1.66 CC(=O)NCc1ncco1 6519ae7ebb18199243fcd7f03af8a730 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.66 CC(C)COc1ccco1 9a23c54afcd88900faea26a95d44c122 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.66 CC(C)NCc1ccc[nH]1 c8f8c41b508c6a9e408dd2699920d8e8 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.66 CC(C)NCc1ccco1 e2693f4935da627db7fd450f0265afc1 [1,0,0,0,0,0|1,0,1]=3 58 B10R1.66 CC(C)NCc1cccs1 542111b118739a23c6a7d49f5267f947 [1,0,0,0,0,0|1,1,1]=4 59 B10R1.66 CC(C)NCc1ccno1 8048c2b4942dbf51099ed0a206f8f6e8 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.66 CC(C)NCc1cnco1 efb9476d66687f153835d5c1b16a9ef7 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.66 CC(C)NCc1ncco1 05025edf840bc375a3c3e26d0a96ccdf [1,0,0,0,0,0|2,0,1]=4 62 B10R1.66 CC(C)OCc1ccc[nH]1 4dddb07a03dc24f89786ddb418b6d01e [1,0,0,0,0,0|2,0,1]=4 63 B10R1.66 CC(C)OCc1ccco1 e50c3d4d785de91a25589c3a50142414 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.66 CC(C)OCc1cccs1 3e503778417dd68d76dc700a03f16b0b [1,0,0,0,0,0|1,1,1]=4 65 B10R1.66 CC(C)OCc1ccno1 7aa10af430b7d91c055f89d0f51bdadf [1,0,0,0,0,0|2,0,1]=4 66 B10R1.66 CC(C)OCc1cnco1 781339a65a14a684e1aece08a96ac865 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.66 CC(C)OCc1ncco1 1190308edda12fa27f2bcbfd35f45044 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.66 CN(C)COc1ccco1 c10f1087d88a829336b344ddc05de043 [1,0,0,0,0,0|2,0,1]=4 69 B12R1.81 CC(=CCN1CC=CC1CO)C 7567a2b543a6cb36174215630fb483bb [0,1,0,0,0,0|2,0,1]=4 70 B12R1.81 COc1ccsc1CNC(=O)C 16287217f6261163d817e8ff590e8e76 [0,1,0,0,0,0|2,1,0]=4 71 B12R1.81 COc1ccsc1CNC(C)C cf7f799cd84dd5099e19d4607acb17e1 [0,1,0,0,0,0|1,1,1]=4 72 B12R1.145 CC(=O)N(C)Cc1occc1C 03173b060bf668c0c0e1b70aced7cc11 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.145 Cc1ccoc1CN(C)C(C)C f8a0730c82d136737d017069d004d18a [0,1,0,0,0,0|1,0,1]=3 74 B12R1.353 C#CC(=O)NCc1occc1C 85df19e9db04cddfcd98131f6ab46794 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.353 C#CC(C)NCc1occc1C e9dbbef2b79783a5fc1ca6d8c1e9bdca [0,1,0,0,0,0|1,0,2]=4 76 B12R1.353 C#CC(C)OCc1occc1C e7270f91a442c2867bd7c0047f051e6d [0,1,0,0,0,0|1,0,2]=4 77 B12R1.353 C=CC(=O)NCc1occc1C dcfde5af2df8c5cab240a840a2691204 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.353 C=CC(C)NCc1occc1C d8149fcabbc07de0054370c5e5f6186c [0,1,0,0,0,0|1,0,2]=4 79 B12R1.353 C=CC(C)OCc1occc1C 86e995714112e136a05c441a976daf01 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.353 CCC(=O)NCc1occc1C fd86fbb381cff844f3568ea0c04d875e [0,1,0,0,0,0|2,0,0]=3 81 B12R1.353 CCC(C)NCc1occc1C 8078ac5cc9be9411e209572918a02e6e [0,1,0,0,0,0|1,0,1]=3 82 B12R1.353 CCC(C)OCc1occc1C 6b4f0b895aaf5ac242a2fe047bc1c312 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.353 CCC(C)OCc1ocnc1C bb4d377af282652bfa34104c09d11070 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.353 CCC(C)OCc1oncc1C 42aa7b84d1cff986c04cae96c7597c1c [0,1,0,0,0,0|2,0,1]=4 85 B12R1.353 CCC(C)OCc1sccc1C 9e4c4891e39bb9a5f2803694ab2ab3fb [0,1,0,0,0,0|1,1,1]=4 86 B12R1.353 Cc1ccoc1CNC(=O)C=O cd44484f01e9ce891e7ff7c137e6059c [0,1,0,0,0,0|2,0,1]=4 87 B12R1.353 Cc1ccoc1CNC(=O)CF 83404353e5b263e7cf7f78f0370df398 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.353 Cc1ccoc1CNC(=O)CO 7d95e3fe7dd231ec400cc0756ee3917f [0,1,0,0,0,0|2,0,0]=3 89 B12R1.353 Cc1ccoc1CNC(=O)CS b5842925d597bcfc3eec30467d20c392 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.353 Cc1ccoc1CNC(C)C#N 219bec08aa7eb5a43ecaa37f07d9a022 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.353 Cc1ccoc1CNC(C)C=O 3a384b1d7fe520fdf9a9c35f877b39ca [0,1,0,0,0,0|1,0,2]=4 92 B12R1.353 Cc1ccoc1CNC(C)CO d1ab76b87c628c7945e16a656e0e2238 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.353 Cc1ccoc1CN[C@@H](C)CO f062064669fe7e0c667b5c14641ce567 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.353 Cc1ccoc1CN[C@H](C)C=O ae3ce72d4df08aaa99eb795194cc5f13 [0,1,0,0,0,0|1,0,2]=4 95 B12R1.353 Cc1ccoc1CN[C@H](C)CO 09286a9b950e4b6d52fe8b5659a890c8 [0,1,0,0,0,0|1,0,1]=3 96 B12R1.353 Cc1ccoc1COC(C)C#N 5c59ddbefd95d0bfbb819c6b8e56fc91 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.353 Cc1ccoc1COC(C)C=O 128b7515039869329e915e48bae8ab6d [0,1,0,0,0,0|1,0,2]=4 98 B12R1.353 Cc1ccoc1CO[C@H](C)C=O a39e32728429dc3f818a0daec2f7a4c8 [0,1,0,0,0,0|1,0,2]=4 99 B12R1.861 CC(=O)NCc1oc(nc1C)C c7e68fe0c94468dfd84cd6547f3d91e4 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.861 Cc1nc(c(o1)CNC(C)C)C b056ea697f4f3812f3f8ad205b81c187 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.861 Cc1nc(c(o1)COC(C)C)C 986d80c52f0b64a11293cd13c6c3caaf [0,1,0,0,0,0|2,0,1]=4 102 B12R1.861 Cc1oc(=O)oc1COC(C)C a5dd1a77e86fcba4154cb8fba9adc6e4 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.870 Cc1c(noc1COC(C)C)Br 2faf474d2951b5aef94c4001929c0915 [0,1,0,0,0,0|2,0,1]=4 104 B10R0.3 C/C=C/C(=O)NCC=C(C)C ca9499daa964bb63b791f56af2bc77f5 [0,0,1,0,0,0|3,0,0]=4 105 B10R0.3 C/C=C/C(C)OCC=C(C)C 249413ffd19af2546c0807bce1570290 [0,0,1,0,0,0|2,0,1]=4 106 B10R0.3 CC(=CCNC(=O)/C=C/Br)C fc84491662020058a45a1c76d5ae7db3 [0,0,1,0,0,0|3,0,0]=4 107 B10R0.3 CC(=CCNC(=O)/C=C/Cl)C 19ff5e9f7732d1efeeb759aa083ed9e9 [0,0,1,0,0,0|3,0,0]=4 108 B10R0.3 CC(=CCNC(=O)/C=C/I)C 7c7ab93c2df13dd4c5704158289026e4 [0,0,1,0,0,0|3,0,0]=4 109 B10R0.3 CC(=CCNC(=O)/C=C\Br)C dc99dad8beca36e432bfe6ce22d30fe1 [0,0,1,0,0,0|3,0,0]=4 110 B10R0.3 CC(=CCNC(=O)/C=C\Cl)C 9e43fd9bf813164e93025af3e0cc7868 [0,0,1,0,0,0|3,0,0]=4 111 B10R0.3 CC(=CCNC(=O)/C=C\I)C 9a897629478ae795cffeb9c881a7c0f7 [0,0,1,0,0,0|3,0,0]=4 112 B10R0.3 CC(=CCNC(=O)C=CBr)C cd5ce874d8685349feb280a97871e6df [0,0,1,0,0,0|3,0,0]=4 113 B10R0.3 CC(=CCNC(=O)C=CI)C cb87d26bc3c74bb80b9690c1fbe86fd7 [0,0,1,0,0,0|3,0,0]=4 114 B10R0.3 CC=CC(C)OCC=C(C)C 2ba2c050dbd595baeafe16f69ba72dba [0,0,1,0,0,0|2,0,1]=4 115 B10R0.4 C/C=C/CCOCC=C(C)C 3d908f975d53ed6c4018ecab91b92a8b [0,0,1,0,0,0|2,0,1]=4 116 B10R0.4 C/C=C/COCCC=C(C)C d89bb036dc2bdb3fb86fb006acf3e0ef [0,0,1,0,0,0|0,0,2]=3 117 B10R0.4 C/C=C\COCCC=C(C)C f72c9be6cd38defd996d01e042cf957e [0,0,1,0,0,0|0,0,2]=3 118 B10R0.4 CC(=CCCOC/C=C/Cl)C 3762e1ecde34e84776a23c13a8ec05c9 [0,0,1,0,0,0|1,0,2]=4 119 B10R0.4 CC(=CCCOCC=CCl)C 09b9ab2ba106fa32c1de16855438daad [0,0,1,0,0,0|1,0,2]=4 120 B10R0.4 CC(=CCOC/C=C/C=O)C 0f4576573323d3aa4c91852d66b4482f [0,0,1,0,0,0|3,0,0]=4 121 B10R0.4 CC/C=C/CNCC=C(C)C 7743b13c922a040dcc401c5af2d2892a [0,0,1,0,0,0|2,0,1]=4 122 B10R0.4 CC/C=C/COCC=C(C)C 88772dc4327405e4d2321a680b844d68 [0,0,1,0,0,0|2,0,1]=4 123 B10R0.4 CC/C=C\COCC=C(C)C 86f18617a97ac86ba27d448acc6cfb9d [0,0,1,0,0,0|2,0,1]=4 124 B10R0.4 CC=CCNCCC=C(C)C 7423409cbc3d0a6d39b17c393234be9d [0,0,1,0,0,0|1,0,2]=4 125 B10R0.4 CC=CCOCCC=C(C)C f18d97d30ebce8d621616007d4708c28 [0,0,1,0,0,0|0,0,2]=3 126 B12R2.466 Brc1ccoc1COC2CC2 009efeaa1197e546d90ffc02e29ce36f [0,0,0,1,0,0|2,0,1]=4 127 B12R2.466 Cc1ccoc1CNC2CC2 2487e4472b35450c10ffe1af3ceab1ee [0,0,0,1,0,0|1,0,1]=3 128 B12R2.466 Cc1ccoc1COC2CC2 a4e8902a406683a88e15f3200fcbb6c3 [0,0,0,1,0,0|1,0,1]=3 129 B12R2.466 Cc1ccsc1COC2CC2 a873bdfb38ea8bfea30359f9f53dc0a8 [0,0,0,1,0,0|1,1,1]=4 130 B12R2.466 Cc1cnoc1COC2CC2 6cdc0bf0fe2949cf3784f377bfca3985 [0,0,0,1,0,0|2,0,1]=4 131 B12R2.466 Cc1ncoc1COC2CC2 59c9d2374e980e3d6468b54f22c00c38 [0,0,0,1,0,0|2,0,1]=4 132 B12R1.125 CC(=O)NCc1ccccc1C 878373bfe1c9994e38f6b300a4c7508f [0,0,0,0,0,1|3,0,0]=4 133 B12R1.125 CC(=O)NCc1cccnc1C b81f4e2602bed8897ba4d3d274e56b6d [0,0,0,0,0,1|3,0,0]=4 134 B12R1.125 CC(=O)NCc1ccncc1C 8c28b95ff25959676d478998d29984fa [0,0,0,0,0,1|3,0,0]=4 135 B12R1.125 CC(=O)NCc1cnccc1C 59344c28bf73867bd1874b4bbab5feeb [0,0,0,0,0,1|3,0,0]=4 136 B12R1.125 CC(=O)NCc1ncccc1C aca4e86732225f733801ebe508110b68 [0,0,0,0,0,1|3,0,0]=4 137 B12R1.125 CC(=O)NCc1nnccc1C f6fd816587299c5cc0b5e706b44ac6cc [0,0,0,0,0,1|3,0,0]=4 138 B12R1.125 Cc1ccccc1CNC(C)C 2dd08d80be2d3e51d4d72fed96629045 [0,0,0,0,0,1|2,0,1]=4 139 B12R1.125 Cc1cccnc1CNC(C)C 5c608f0fb577a4839d6566b1f8cde4a7 [0,0,0,0,0,1|2,0,1]=4 140 B12R1.125 Cc1cccnc1COC(C)C d0c708a01280fb6f5078e1dd21e398c6 [0,0,0,0,0,1|2,0,1]=4 141 B12R1.125 Cc1ccnnc1CNC(C)C 053d53ff032d307f2f7189f453930b8b [0,0,0,0,0,1|2,0,1]=4 142 B12R1.125 Cc1ccnnc1COC(C)C 4efceeefc5d2f3dc52e6096749d82f5a [0,0,0,0,0,1|2,0,1]=4 143 B12R1.125 Cc1cnccc1CNC(C)C fd3c13616b7aae9904ff75b6dc257c3e [0,0,0,0,0,1|2,0,1]=4 144 B12R1.125 Cc1cnccc1COC(C)C ff9355dbcebbc16b1ea6e10e3b3965f7 [0,0,0,0,0,1|2,0,1]=4 145 B12R1.125 Cc1ncccc1CNC(C)C 9e75f3824b522bcdb845f9a2f15ad81b [0,0,0,0,0,1|2,0,1]=4 146 B12R1.125 Cc1ncccc1COC(C)C a9da00623a47634eafd7b8cce50e0671 [0,0,0,0,0,1|2,0,1]=4 147 B12R1.125 Cc1nccnc1COC(C)C 17ec3e09c1fd2bbc7c2646442d27bb8d [0,0,0,0,0,1|2,0,1]=4 148 B12R1.130 C/C(=C/CNc1ccsc1C)/I f2246c5b30e140c4f2f0bb4a2e600028 [0,0,0,0,0,1|3,0,0]=4 149 B12R1.130 C/C(=C/CNc1cscc1C)/I 4df77004ee17e0d4cce5775a62fddedd [0,0,0,0,0,1|3,0,0]=4 150 B12R1.130 C/C(=C/CNc1n[nH]cc1C)/I 8561f46c23647dcd1af9a9ddfc40b6cc [0,0,0,0,0,1|3,0,0]=4 151 B12R1.130 C/C(=C/CNc1nccn1C)/I 40e5a9a02dd997febe1f7acf4634ee5e [0,0,0,0,0,1|3,0,0]=4 152 B12R1.130 C/C(=C/CNc1nocc1C)/I 1d29590a78da6dec7c6794f1ca4abd1a [0,0,0,0,0,1|3,0,0]=4 153 B12R1.130 C/C(=C/CNc1oncc1C)/I b52e1eb7b31fd9d40a21fa7dd9986150 [0,0,0,0,0,1|2,0,0]=3 154 B12R1.130 C/C(=C/CNc1scnc1C)/I e8e7d2aef7bf666bb15a448283a76b29 [0,0,0,0,0,1|2,1,0]=4 155 B12R1.130 C/C(=C/COc1cccn1C)/I 5b566fb12412d57b1274de5bd78268df [0,0,0,0,0,1|3,0,0]=4 156 B12R1.130 C/C(=C/COc1n[nH]cc1C)/I 7cf1cbceca0f2135e6b37617af60a1f4 [0,0,0,0,0,1|3,0,0]=4 157 B12R1.130 C/C(=C\CNc1ccsc1C)/Cl 4fb9a8dd35905ba53efb84440eb94f8b [0,0,0,0,0,1|3,0,0]=4 158 B12R1.130 C/C(=C\CNc1cscc1C)/Cl df7025507f104441136d13aa922cd352 [0,0,0,0,0,1|3,0,0]=4 159 B12R1.130 C/C(=C\CNc1n[nH]cc1C)/Cl ae9874b83b6becdd13161dd5a04c6cb5 [0,0,0,0,0,1|3,0,0]=4 160 B12R1.130 C/C(=C\CNc1nccn1C)/Cl 9e08aa6c43d29888d8be5c287b1a9a00 [0,0,0,0,0,1|3,0,0]=4 161 B12R1.130 C/C(=C\CNc1nocc1C)/Cl dcc44faa5ab6d8ff45ab9c2998a7204d [0,0,0,0,0,1|3,0,0]=4 162 B12R1.130 C/C(=C\CNc1oncc1C)/Cl b1845b701e0dc5e2774f72b135532a90 [0,0,0,0,0,1|2,0,0]=3 163 B12R1.130 C/C(=C\CNc1scnc1C)/Cl 04a4c402ea14d94e48a3292a3b53c6f5 [0,0,0,0,0,1|2,1,0]=4 164 B12R1.130 C/C(=C\COc1cccn1C)/Cl 7c5875e2ec4c97fc6ac8895c0a7b111b [0,0,0,0,0,1|3,0,0]=4 165 B12R1.130 C/C(=C\COc1n[nH]cc1C)/Cl b8b418bca7925a5639a35685349e57c1 [0,0,0,0,0,1|3,0,0]=4 166 B12R1.130 C=C(Br)CNCc1occc1C c41204fff7cdaa66b8bab6b265270ce9 [0,0,0,0,0,1|1,0,2]=4 167 B12R1.130 C=C(Br)COCc1occc1C 67e2c89a8f329ecef372ff3b9a8cf501 [0,0,0,0,0,1|1,0,2]=4 168 B12R1.130 C=C(C)CCNc1sccc1C 343b2195e74f9d5b711da711c87b1236 [0,0,0,0,0,1|0,1,2]=4 169 B12R1.130 C=C(C)CNCc1occc1C 007152b13b75e639c2ebf57c99076168 [0,0,0,0,0,1|0,0,2]=3 170 B12R1.130 C=C(C)COCc1occc1Br 56560d960e7bb5a0d9686ebdc5b5f93b [0,0,0,0,0,1|1,0,2]=4 171 B12R1.130 C=C(C)COCc1occc1C c4ab2c460de51090852137b9cd769a1a [0,0,0,0,0,1|0,0,2]=3 172 B12R1.130 C=C(C)COCc1ocnc1C a5035adef5093b2c7f2228fb9d75d525 [0,0,0,0,0,1|1,0,2]=4 173 B12R1.130 C=C(C)COCc1oncc1C d5380a2952d4e211a493dc20e613590a [0,0,0,0,0,1|1,0,2]=4 174 B12R1.130 C=C(C)COCc1sccc1C 1e6fd90549717bf83d903beadfecfaaf [0,0,0,0,0,1|0,1,2]=4 175 B12R1.130 C=C(Cl)CNCc1occc1C 0374c64c60fa1a3edf34bef9b0ee2491 [0,0,0,0,0,1|1,0,2]=4 176 B12R1.130 C=C(Cl)COCc1occc1C 59425252d60506fbe503843259ee7cff [0,0,0,0,0,1|1,0,2]=4 177 B12R1.130 C=C(F)CNCc1occc1C 9a60960118a43ea4be97744fbbdd24bc [0,0,0,0,0,1|1,0,2]=4 178 B12R1.130 C=C(F)COCc1occc1C 79430b46b8608fc8169d28d1291e7389 [0,0,0,0,0,1|1,0,2]=4 179 B12R1.130 CC(=CCNc1[nH]ncc1F)C a06a805386e94178bc4f854a943b2192 [0,0,0,0,0,1|3,0,0]=4 180 B12R1.130 CC(=CCNc1c[nH]nc1C)C 6902693504de3258fbd8dee8eede5821 [0,0,0,0,0,1|3,0,0]=4 181 B12R1.130 CC(=CCNc1cccn1C)C aacca976143021129ba659d8cbb4fb11 [0,0,0,0,0,1|2,0,0]=3 182 B12R1.130 CC(=CCNc1ccnn1C)C d7ef098c3a4ca515ead999ad4f3f7320 [0,0,0,0,0,1|3,0,0]=4 183 B12R1.130 CC(=CCNc1ccsc1C)C 574dc4e3d95d72f5a7a65e6e322b3d6b [0,0,0,0,0,1|2,0,0]=3 184 B12R1.130 CC(=CCNc1ccsc1C)Cl 5e51f0e7bdccc7c21bb48d57283b8d77 [0,0,0,0,0,1|3,0,0]=4 185 B12R1.130 CC(=CCNc1ccsc1C)I d34c54f6600ff76e7142dfc03d16d84d [0,0,0,0,0,1|3,0,0]=4 186 B12R1.130 CC(=CCNc1cncn1C)C d0aa6b433ebde2ae53d3505adb400f39 [0,0,0,0,0,1|3,0,0]=4 187 B12R1.130 CC(=CCNc1cnoc1C)C cbe98f94db76fabd0935a29035933001 [0,0,0,0,0,1|3,0,0]=4 188 B12R1.130 CC(=CCNc1conc1C)C 55660adab29b7f678eeb42d1a758d599 [0,0,0,0,0,1|3,0,0]=4 189 B12R1.130 CC(=CCNc1cscc1Br)C 58d4fd53ec5b08b0310671fd8c3b639d [0,0,0,0,0,1|3,0,0]=4 190 B12R1.130 CC(=CCNc1cscc1C)C cebc33e4ec9cd78c91dda0f628aa9ea4 [0,0,0,0,0,1|2,0,0]=3 191 B12R1.130 CC(=CCNc1cscc1C)Cl 4452ad07e8e044ed6df9a2156dd4fe3e [0,0,0,0,0,1|3,0,0]=4 192 B12R1.130 CC(=CCNc1cscc1C)I ec090e9238aa01e860a43eedee2949e2 [0,0,0,0,0,1|3,0,0]=4 193 B12R1.130 CC(=CCNc1csnc1C)C a0f67ee9f2901286e3f98b9927a00329 [0,0,0,0,0,1|3,0,0]=4 194 B12R1.130 CC(=CCNc1n[nH]cc1Br)C 6b8384ab7bbc04ff044c698777553f33 [0,0,0,0,0,1|3,0,0]=4 195 B12R1.130 CC(=CCNc1n[nH]cc1C)C df65db6873d5f45ea6f4627bab7f8051 [0,0,0,0,0,1|2,0,0]=3 196 B12R1.130 CC(=CCNc1n[nH]cc1C)Cl 934f393d2e21c7a92078b8c3577bfc53 [0,0,0,0,0,1|3,0,0]=4 197 B12R1.130 CC(=CCNc1n[nH]cc1C)I 50eefec02aefca0a1f05379845118e2f [0,0,0,0,0,1|3,0,0]=4 198 B12R1.130 CC(=CCNc1n[nH]cc1Cl)C 0e7d4734f591323f4e6e8a8e42aec315 [0,0,0,0,0,1|3,0,0]=4 199 B12R1.130 CC(=CCNc1n[nH]cc1I)C c3ec2c7231d6ccaac3bd01ef91597982 [0,0,0,0,0,1|3,0,0]=4 200 B12R1.130 CC(=CCNc1n[nH]cc1N)C 1eca359e85a71f2c3075551fffd78a61 [0,0,0,0,0,1|3,0,0]=4 201 B12R1.130 CC(=CCNc1nc[nH]c1C)C c3acf6ac87bf458b62458455dd02a427 [0,0,0,0,0,1|2,0,0]=3 202 B12R1.130 CC(=CCNc1nccn1C)C 829f5160608f6a43adabb7a459458bec [0,0,0,0,0,1|2,0,0]=3 203 B12R1.130 CC(=CCNc1nccn1C)Cl d0c61d7f5b79cf4462fb83ce80b9c3c8 [0,0,0,0,0,1|3,0,0]=4 204 B12R1.130 CC(=CCNc1nccn1C)I 1547cfe15ea8e6200698f7d8e734683b [0,0,0,0,0,1|3,0,0]=4 205 B12R1.130 CC(=CCNc1ncnn1C)C eafe4a5d1fe1c38b8b5b53850d79f56d [0,0,0,0,0,1|3,0,0]=4 206 B12R1.130 CC(=CCNc1ncoc1C)C cb1e20290024cd6ea04d543a63d3b57e [0,0,0,0,0,1|2,0,0]=3 207 B12R1.130 CC(=CCNc1ncsc1Br)C 05edcf136145cef7de2c97713a395d27 [0,0,0,0,0,1|3,0,0]=4 208 B12R1.130 CC(=CCNc1ncsc1C)C e4699b843ae9b4d056fbc88e2e8ec70c [0,0,0,0,0,1|2,0,0]=3 209 B12R1.130 CC(=CCNc1nncn1C)C 2f50c39733ffab9c0ade817f942ed7a2 [0,0,0,0,0,1|3,0,0]=4 210 B12R1.130 CC(=CCNc1nocc1Br)C bc0fa2860b50eef70c9f817477233180 [0,0,0,0,0,1|3,0,0]=4 211 B12R1.130 CC(=CCNc1nocc1C)C ba147a5ca795a3984525fe500ff1ac93 [0,0,0,0,0,1|2,0,0]=3 212 B12R1.130 CC(=CCNc1nocc1C)Cl 5aa6d6ab11ea61f9c5f53cc9e902a4ed [0,0,0,0,0,1|3,0,0]=4 213 B12R1.130 CC(=CCNc1nocc1C)I 2e2468729f26628464f085eeb9ef6deb [0,0,0,0,0,1|3,0,0]=4 214 B12R1.130 CC(=CCNc1nocc1Cl)C e1d09ed03b920b40798c4361fff6532e [0,0,0,0,0,1|3,0,0]=4 215 B12R1.130 CC(=CCNc1nonc1C)C f453db369c78ef9312bbda8e059626ab [0,0,0,0,0,1|3,0,0]=4 216 B12R1.130 CC(=CCNc1nscc1C)C 43bc1053196301e7e41c6a4e42d235ac [0,0,0,0,0,1|2,0,0]=3 217 B12R1.130 CC(=CCNc1oncc1C)C 958d43ff44a1ef7cf24eb390b13ee475 [0,0,0,0,0,1|1,0,0]=2 218 B12R1.130 CC(=CCNc1oncc1C)Cl e5bc6451d875a2868ded769916159487 [0,0,0,0,0,1|2,0,0]=3 219 B12R1.130 CC(=CCNc1oncc1C)I a45b77c8c69c4d01c6cb79626277e16b [0,0,0,0,0,1|2,0,0]=3 220 B12R1.130 CC(=CCNc1sccc1C)C 834c255d17fb529f7e0779553fab4981 [0,0,0,0,0,1|0,1,0]=2 221 B12R1.130 CC(=CCNc1scnc1C)C 85af7b1b9367b31d8a4426737c140e17 [0,0,0,0,0,1|1,1,0]=3 222 B12R1.130 CC(=CCNc1scnc1C)Cl 97162c1d8818bfd368abbdd90256348c [0,0,0,0,0,1|2,1,0]=4 223 B12R1.130 CC(=CCNc1scnc1C)I d206b0783720744548efba8eac1e5ce6 [0,0,0,0,0,1|2,1,0]=4 224 B12R1.130 CC(=CCNc1sncc1C)C daf7e436fd40f08e517ce190f0adda16 [0,0,0,0,0,1|1,1,0]=3 225 B12R1.130 CC(=CCOc1cccn1C)C 2e8f71c4adc4414ac5f4576a9185cdb2 [0,0,0,0,0,1|2,0,0]=3 226 B12R1.130 CC(=CCOc1cccn1C)Cl 2ddf7b12fa1bda35917da2e088117c58 [0,0,0,0,0,1|3,0,0]=4 227 B12R1.130 CC(=CCOc1cccn1C)I 05325d08b265332ea08afffde589d16b [0,0,0,0,0,1|3,0,0]=4 228 B12R1.130 CC(=CCOc1ccnn1C)C e79c7b9c30319c7b9626bdcdd73f6313 [0,0,0,0,0,1|3,0,0]=4 229 B12R1.130 CC(=CCOc1cn[nH]c1C)C cd8e59c8d7b407d9871d7e97808cd891 [0,0,0,0,0,1|3,0,0]=4 230 B12R1.130 CC(=CCOc1n[nH]cc1C)C f5090468b177ba80695c8e927d27f3a6 [0,0,0,0,0,1|2,0,0]=3 231 B12R1.130 CC(=CCOc1n[nH]cc1C)Cl 3d16e107f71ea00d764074a994f5df74 [0,0,0,0,0,1|3,0,0]=4 232 B12R1.130 CC(=CCOc1n[nH]cc1C)I cfefdc1d4840e9c8c08e40d2bec10257 [0,0,0,0,0,1|3,0,0]=4 233 B12R1.130 CC(=CCOc1nocc1Br)C 5a6bc26fd8dce11393ff341a6cdc0850 [0,0,0,0,0,1|3,0,0]=4 234 B12R1.130 CC(=O)CCNc1oncc1C 17406e873093d338c18f2af27310d0b1 [0,0,0,0,0,1|2,0,1]=4 235 B12R1.130 CC(=O)NCCc1sccc1C 54d2325cc7c28ca90bd4f8f05c8ba280 [0,0,0,0,0,1|1,1,1]=4 236 B12R1.130 CC(=O)OCNc1oncc1C bca7723d17c61ccb5c15a0e6eacbe314 [0,0,0,0,0,1|3,0,0]=4 237 B12R1.130 CC(C)COCc1occc1Br 934fa30b1456a808990a030680513fd5 [0,0,0,0,0,1|1,0,2]=4 238 B12R1.130 CN(C)COCc1occc1Br 0c5dca890918af54ee50ef884e668e41 [0,0,0,0,0,1|2,0,1]=4 239 B12R1.130 Cc1ccoc1CNCC(=O)N a495dfd1656e51150ce2c2a7aa82fccf [0,0,0,0,0,1|2,0,1]=4 240 B12R1.130 Cc1ccoc1CNCC(=O)O 3ed0dedb8bf9d1915527eccacc205494 [0,0,0,0,0,1|2,0,1]=4 241 B12R1.130 Cc1ccoc1CNCC(C)C 07750009f735335dbefbc643a017944b [0,0,0,0,0,1|0,0,2]=3 242 B12R1.130 Cc1ccoc1CNCC(C)O b88bd018aa7644c5779af1e011fee75c [0,0,0,0,0,1|1,0,2]=4 243 B12R1.130 Cc1ccoc1CNCN(C)C 4f3aa0786352f9f652f71d4d92279802 [0,0,0,0,0,1|1,0,1]=3 244 B12R1.130 Cc1ccoc1CNC[C@@H](C)O afa0c9f65d1bd8c91e39c8f1b84e2c41 [0,0,0,0,0,1|1,0,2]=4 245 B12R1.130 Cc1ccoc1CNC[C@H](C)O f14373bba77f63b64ba208236fb182ce [0,0,0,0,0,1|1,0,2]=4 246 B12R1.130 Cc1ccoc1COCC(=O)N 20ea08f0db706444b26b39846e46d1b1 [0,0,0,0,0,1|2,0,1]=4 247 B12R1.130 Cc1ccoc1COCC(=O)O b2e6b759ffaae3726b10514cb115700c [0,0,0,0,0,1|2,0,1]=4 248 B12R1.130 Cc1ccoc1COCC(C)C 4b73f669ad7b03103b38200d73f3ff29 [0,0,0,0,0,1|0,0,2]=3 249 B12R1.130 Cc1ccoc1COCN(C)C 1c26bb76f4400aa07786b40415874079 [0,0,0,0,0,1|1,0,1]=3 250 B12R1.130 Cc1ccsc1CCNC(C)C b978101b172099790f23144f30ffa1f9 [0,0,0,0,0,1|0,1,2]=4 251 B12R1.130 Cc1ccsc1COCC(C)C cd74728308fa17b945a1b86e0e2644d4 [0,0,0,0,0,1|0,1,2]=4 252 B12R1.130 Cc1ccsc1NCCC(C)C b9062681752dba93d52afc1d69bead6f [0,0,0,0,0,1|0,1,2]=4 253 B12R1.130 Cc1cnoc1COCC(C)C 330b36bbed2f1d3b66bdc63ee213716f [0,0,0,0,0,1|1,0,2]=4 254 B12R1.130 Cc1cnoc1COCN(C)C 1a531257541dc5eed7a50e75240c4d8c [0,0,0,0,0,1|2,0,1]=4 255 B12R1.130 Cc1cnoc1NCC=C(Cl)Cl facc4ba76bf3c3540ccf2d128716e22e [0,0,0,0,0,1|3,0,0]=4 256 B12R1.130 Cc1cnoc1NCCC(C)C 52097367e0bbbb0647aaf061cad6a8a5 [0,0,0,0,0,1|1,0,2]=4 257 B12R1.130 Cc1cnoc1NCCN(C)C 12f6e68f7cf2c3dbaabbce77b533bbd0 [0,0,0,0,0,1|2,0,1]=4 258 B12R1.130 Cc1cnoc1NCOC(C)C a669f5e40736e9d72b6129cc1d457017 [0,0,0,0,0,1|2,0,1]=4 259 B12R1.130 Cc1ncoc1COCC(C)C e7cf9dc9bf7d8b25aa34e3e3801a26d1 [0,0,0,0,0,1|1,0,2]=4 260 B12R1.130 Cc1ncoc1COCN(C)C f57145fa680d291d624d772a314e37d5 [0,0,0,0,0,1|2,0,1]=4 261 B12R1.226 CC(=O)NCc1cc(ccn1)C 429b26804f717563030425c491283281 [0,0,0,0,0,1|3,0,0]=4 262 B12R1.226 CC(=O)NCc1cccc(c1)C 2a897b53ee5ae4ee12831959238615eb [0,0,0,0,0,1|3,0,0]=4 263 B12R1.226 CC(=O)NCc1cccc(n1)C ff894d8ae2ecfa1c00d2f0abc4131898 [0,0,0,0,0,1|3,0,0]=4 264 B12R1.226 CC(=O)NCc1nccc(n1)C c8eb7e7d4c8203111a9dd888dcd3552e [0,0,0,0,0,1|3,0,0]=4 265 B12R1.226 Cc1cccc(c1)CNC(C)C 409614b24510f7aec784aa24e2d29ef2 [0,0,0,0,0,1|2,0,1]=4 266 B12R1.226 Cc1cccc(c1)COC(C)C ac14bed03bb08492372420f353b99c52 [0,0,0,0,0,1|2,0,1]=4 267 B12R1.226 Cc1cccc(n1)CNC(C)C 193c586811e8cd7a5541b12d9c26503c [0,0,0,0,0,1|2,0,1]=4 268 B12R1.226 Cc1cccc(n1)COC(C)C a8c2bc277290339bbc2222ef578b71a7 [0,0,0,0,0,1|2,0,1]=4 269 B12R1.226 Cc1ccnc(c1)CNC(C)C 99e05fe61e0126c3de92bf40ba9c20cd [0,0,0,0,0,1|2,0,1]=4 270 B12R1.226 Cc1ccnc(c1)COC(C)C 9cf6c87bb1aeb8968300667a319e43b5 [0,0,0,0,0,1|2,0,1]=4 271 B12R1.226 Cc1ccnc(n1)CNC(C)C 64f88864e96139270057b81a8b6f74ac [0,0,0,0,0,1|2,0,1]=4 272 B12R1.226 Cc1ccnc(n1)COC(C)C 1178c6dd951d2761d5a3bfed7f26df5c [0,0,0,0,0,1|2,0,1]=4 273 B9R0.1 C=CC(=O)NCC=C(C)C 256f5da9498fddbe2d5756905944a6d0 [1,0,1,0,0,0|2,0,0]=4 274 B9R0.1 C=CC(C)NCC=C(C)C 64c69f10631d80367b5d4c3b07502c83 [1,0,1,0,0,0|1,0,1]=4 275 B9R0.1 C=CC(C)OCC=C(C)C 20e5319a9490769669161ba7f8adf99c [1,0,1,0,0,0|1,0,1]=4 276 B9R0.1 C=C[C@H](C)OCC=C(C)C 69f4fcf4cf471c0af125a25ed710522a [1,0,1,0,0,0|1,0,1]=4 277 B9R0.2 C/C=C/C=C/COC(C)C bec2220b1d6103b70011a64fb32efb70 [1,0,1,0,0,0|1,0,1]=4 278 B9R0.2 C/C=C/CNCC=C(C)C 537607855151e2ed7fb6e61a58fb09a2 [1,0,1,0,0,0|1,0,1]=4 279 B9R0.2 C/C=C/COC/C=C(/C)\Cl 5865c3a8163a980d41a3d9855d96307f [1,0,1,0,0,0|1,0,1]=4 280 B9R0.2 C/C=C/COC/C=C(/C)\I ae5c70517a6de1f3eaa9f71741e112f0 [1,0,1,0,0,0|1,0,1]=4 281 B9R0.2 C/C=C/COC/C=C(\C)/Cl af7c3cc88f91d0267cb1719bea48ea04 [1,0,1,0,0,0|1,0,1]=4 282 B9R0.2 C/C=C/COCC=C(C)C 7a0776db17adc43127b19efd988ed5d8 [1,0,1,0,0,0|0,0,1]=3 283 B9R0.2 C/C=C/COCC=C(C)Cl d7015c7c3546e392610d1912e9613312 [1,0,1,0,0,0|1,0,1]=4 284 B9R0.2 C/C=C/COCC=C(C)I b8f2469de3689de340e5a70872c8e42c [1,0,1,0,0,0|1,0,1]=4 285 B9R0.2 C/C=C\CNCC=C(C)C b146c53af2da1f607ef64f4b8a40f957 [1,0,1,0,0,0|1,0,1]=4 286 B9R0.2 C/C=C\COC/C=C(/C)\Cl 07c2bdf6634a711bff309d43cdfddcd4 [1,0,1,0,0,0|1,0,1]=4 287 B9R0.2 C/C=C\COC/C=C(/C)\I 7782fb880d001ae5b67609961039ff6e [1,0,1,0,0,0|1,0,1]=4 288 B9R0.2 C/C=C\COC/C=C(\C)/Cl 27aacf4201706236cb55942911c26101 [1,0,1,0,0,0|1,0,1]=4 289 B9R0.2 C/C=C\COCC=C(C)C 139fd95ed1bd4d4fcc39e50c1bd7591e [1,0,1,0,0,0|0,0,1]=3 290 B9R0.2 C/C=C\COCC=C(C)Cl a8f41852605d239425968dc6720dab04 [1,0,1,0,0,0|1,0,1]=4 291 B9R0.2 C/C=C\COCC=C(C)I 031f9a264f009e36a40791e269a99d38 [1,0,1,0,0,0|1,0,1]=4 292 B9R0.2 CC(=CCNC/C=C\O)C 25d30b5e453a90a70369c141558c8246 [1,0,1,0,0,0|1,0,1]=4 293 B9R0.2 CC(=CCOC/C=C/Cl)C 9d0082df191dfe80bf2ae0b99e5e3588 [1,0,1,0,0,0|1,0,1]=4 294 B9R0.2 CC(=CCOC/C=C\Cl)C 740d3149e60fa1af21c62ded6e678af8 [1,0,1,0,0,0|1,0,1]=4 295 B9R0.2 CC(=CCOCC=CCl)C fd825fe358365b7ef9a3c125884caa61 [1,0,1,0,0,0|1,0,1]=4 296 B9R0.2 CC=CC=CCOC(C)C 24b9fa85f55d4731b3b6ca3fc4d4a326 [1,0,1,0,0,0|1,0,1]=4 297 B9R0.2 CC=CCNCC=C(C)C c4d6cd5fb970676e19754f44092a722c [1,0,1,0,0,0|1,0,1]=4 298 B9R0.2 CC=CCOC/C=C(/C)\I b906ccc3fd85e20264993638dc48c8e8 [1,0,1,0,0,0|1,0,1]=4 299 B9R0.2 CC=CCOC/C=C(\C)/Cl 3a5eb0436bfe3febd29d75b570fa8eac [1,0,1,0,0,0|1,0,1]=4 300 B9R0.2 CC=CCOCC=C(C)C b0c0706b9e39fb5ade5d637dad31f321 [1,0,1,0,0,0|0,0,1]=3 301 B9R0.2 CC=CCOCC=C(C)Cl 64a8f9a98ec4db157c3d5c60f24ffddd [1,0,1,0,0,0|1,0,1]=4 302 B9R0.2 CC=CCOCC=C(C)I 4364e3a01b5dceb7aff7111250fb76a6 [1,0,1,0,0,0|1,0,1]=4 303 B9R0.45 C/C=C/CCOC/C=C/C 3f56239e6142a5844a00f315eae37c28 [1,0,1,0,0,0|0,0,2]=4 304 B9R0.45 C/C=C\COCC/C=C/C ff3f4577bc7348d303858128961423dd [1,0,1,0,0,0|0,0,2]=4 305 B9R0.48 C=CCN(C)CC=C(C)C 2431d658e9bc0d61e4c12637c0e68bcc [1,0,1,0,0,0|2,0,0]=4 306 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [2,0,0,0,0,0|1,0,1]=4 307 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [2,0,0,0,0,0|1,0,1]=4 308 B9R1.12 O=CNCc1ccco1 500b938a7f3d3a911f6dbf809f17e808 [2,0,0,0,0,0|2,0,0]=4 309 B11R0.147 CC(=CCNC(=O)/C=C/CO)C 950dc533f5b681bbfc8922c4c45a53b6 [0,1,1,0,0,0|2,0,0]=4 310 B11R0.147 CC(=CCNC(=O)C=CCO)C 300f2088c0bd202d8e1bc3ae4fe62778 [0,1,1,0,0,0|2,0,0]=4 311 B11R0.147 CO/C=C/C(=O)NCC=C(C)C b95f02d6e667b015a4ecc84e4bc335c9 [0,1,1,0,0,0|2,0,0]=4 312 B11R0.147 COC=CC(=O)NCC=C(C)C b77dc5d5d6c55c02e45e2bc1d5a9d6fa [0,1,1,0,0,0|2,0,0]=4 313 B11R0.30 CC(=CCCOC/C=C(/C)\Cl)C 1e263ef708633205e9ab57d09a980d81 [0,1,1,0,0,0|0,0,2]=4 314 B11R0.30 CC(=CCCOC/C=C(/C)\I)C 7f0d0a7f9ee4c3a7e807e9e845890084 [0,1,1,0,0,0|0,0,2]=4 315 B11R0.30 CC(=CCCOCC=C(C)C)C d05fa8a6d4dece5263bc9f3e7645974b [0,1,1,0,0,0|0,0,2]=4 316 B11R0.30 CC(=CCCOCC=C(C)I)C 80c6f74f8aa4a50c6372d8b3f70cbe84 [0,1,1,0,0,0|0,0,2]=4 317 B11R0.46 CC=CCNC(=O)CC=C(C)C 0243ba8191dad0b5c3f61a166757432b [0,1,1,0,0,0|1,0,1]=4 318 B11R0.148 C/C=C/C=C/COCC=C(C)C 2a21e5a4d0c2509b2182c52377f4b8c7 [0,1,1,0,0,0|1,0,1]=4 319 B11R0.148 C/C=C/CCOCCC=C(C)C 3d62558025c05486a07d981a81c96718 [0,1,1,0,0,0|0,0,2]=4 320 B11R0.148 C/C=C/COCCC=C=C(C)C fc1374ef92b7ac3b683950d08d9b6171 [0,1,1,0,0,0|0,0,2]=4 321 B11R0.148 C/C=C\COCCC=C=C(C)C 28e2404cc4a51f82c46dec0d33a66d34 [0,1,1,0,0,0|0,0,2]=4 322 B11R0.148 CC(=CCCOC/C=C/C=O)C 1fab7dde6d99d50de7cd655799af450b [0,1,1,0,0,0|1,0,1]=4 323 B11R0.148 CC/C=C/COCCC=C(C)C 9d47831970b94ea1a06d364f7207cc75 [0,1,1,0,0,0|0,0,2]=4 324 B11R0.148 CC/C=C\COCCC=C(C)C 514d1d3f74beb903131980d5861e863e [0,1,1,0,0,0|0,0,2]=4 325 B11R0.148 CC=CC=CCOCC=C(C)C 8752d4413332009ee129fd6701824c2b [0,1,1,0,0,0|1,0,1]=4 326 B11R0.176 C/C=C/C(C)OCCC=C(C)C 2bd1f53686f446456a72d2b83d60919b [0,1,1,0,0,0|0,0,2]=4 327 B11R0.176 CC=CC(C)OCCC=C(C)C e3c7149ac8e52e17665117377100bccd [0,1,1,0,0,0|0,0,2]=4 328 B11R1.180 C/C=C/CNc1ccsc1C 0ad288f564988f08215e239f3b79a79e [1,1,0,0,0,0|2,0,0]=4 329 B11R1.180 C/C=C/CNc1cscc1C 3cc469ae47493778c2ad8bb1f28fdcdf [1,1,0,0,0,0|2,0,0]=4 330 B11R1.180 C/C=C/CNc1n[nH]cc1C 20ad954f4106705bdb98a54fd3a4e644 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.180 C/C=C/CNc1nccn1C aa26aaef1cfd6e47e8f81acc4599e85f [1,1,0,0,0,0|2,0,0]=4 332 B11R1.180 C/C=C/CNc1nocc1C d5f8cac183abb57d0e226e337c8c3c6a [1,1,0,0,0,0|2,0,0]=4 333 B11R1.180 C/C=C/CNc1oncc1C e4c1d4eb4c3dd0f85868026563072843 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.180 C/C=C/CNc1scnc1C c69988677860ab05e7d2623db5567978 [1,1,0,0,0,0|1,1,0]=4 335 B11R1.180 C/C=C/COc1cccn1C dfa8251e008c041f82f8d9e90833b589 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.180 C/C=C/COc1n[nH]cc1C 4b7ee0193e78fc3ee9aef151da82ef83 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.180 C/C=C\CNc1ccsc1C 15b9522b9431a8d0e9cc25bcf889b482 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.180 C/C=C\CNc1cscc1C 0cb9b22aa1195eeb0fd68cfbe1dc16a1 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.180 C/C=C\CNc1n[nH]cc1C 4f616349da8da70c574fc5576eb75b53 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.180 C/C=C\CNc1nccn1C 3d8ee31dabfee016b3878bdf4327ad45 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.180 C/C=C\CNc1nocc1C 13489a724241dda83255b7e256e85ac5 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.180 C/C=C\CNc1oncc1C 99df21163439e103ec3e5238a68f9d78 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.180 C/C=C\CNc1scnc1C c4d3eedc2b7e96ec9342de983430f948 [1,1,0,0,0,0|1,1,0]=4 344 B11R1.180 C/C=C\COc1cccn1C 81b6ad77a34a15c78e45c33565a0cc87 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.180 C/C=C\COc1n[nH]cc1C 80661fdf2a58e5ae6d3379bdf2be192e [1,1,0,0,0,0|2,0,0]=4 346 B11R1.180 C=CCNCc1occc1C b8e30c184f4c5ad06baae1790d76e7d3 [1,1,0,0,0,0|0,0,2]=4 347 B11R1.180 C=CCOCc1occc1C a9d4921eb799e38011a5b33025e951be [1,1,0,0,0,0|0,0,2]=4 348 B11R1.180 CC=CCNc1cccn1C 28cc38795f57c2b6ffec629699898fcd [1,1,0,0,0,0|2,0,0]=4 349 B11R1.180 CC=CCNc1ccsc1C 84b2b7255452778b7fddf00814f52a62 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.180 CC=CCNc1cscc1C ae32f06281931efa627544cc50407eca [1,1,0,0,0,0|2,0,0]=4 351 B11R1.180 CC=CCNc1n[nH]cc1C 5937c93f8c1a3eecd2e5faa57c929e5e [1,1,0,0,0,0|2,0,0]=4 352 B11R1.180 CC=CCNc1nc[nH]c1C 3f4c034cecf84ec56c72ea237d71d291 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.180 CC=CCNc1nccn1C 7def94420d1ca3dcb3f2a0fbed78e98f [1,1,0,0,0,0|2,0,0]=4 354 B11R1.180 CC=CCNc1ncoc1C 7eb78407830c2255dcc41b6197e7c789 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.180 CC=CCNc1ncsc1C 69ffca61a66aec6d0ac0c267938408b9 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.180 CC=CCNc1nocc1C b0dae6a54bd30761c8515928cac3f20e [1,1,0,0,0,0|2,0,0]=4 357 B11R1.180 CC=CCNc1nscc1C 3f835f234371cbf0d9d904b7dd3a30f0 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.180 CC=CCNc1sccc1C 8918178342dfb0af4cb3f1b7abf4c92b [1,1,0,0,0,0|0,1,0]=3 359 B11R1.180 CC=CCNc1scnc1C bf0d4a6a3d90d4d4bf212d85df92ca1f [1,1,0,0,0,0|1,1,0]=4 360 B11R1.180 CC=CCNc1sncc1C e43f15036e6d7e549d6d267cbb5f5be0 [1,1,0,0,0,0|1,1,0]=4 361 B11R1.180 CCCNCc1occc1C 297d9026c2421572c3fef990f3888ecd [1,1,0,0,0,0|0,0,2]=4 362 B11R1.180 CCCOCc1occc1C 41560230818bf69c71c16c988d078fb0 [1,1,0,0,0,0|0,0,2]=4 363 B11R1.180 COCNCc1occc1C 92fa3d300208039b2e73f6268b72eab6 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.180 COCOCc1occc1C da83e7b159f8df93d85773fceab7af85 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.180 CSCNCc1occc1C 21f63228ef3934868bf93ce130bb8331 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.180 CSCOCc1occc1C 1cfad62252bfbf737ec5239a10813f25 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.180 Cc1ccoc1CNCC=O 8e42e9fa3c3f520d175cb4059d650769 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.180 Cc1ccoc1CNCCF 5aa9fc02f59e7cfaa6abf691e240d423 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.180 Cc1ccoc1CNCCO 1ff4153120961ed0729996cf1352ee31 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.180 Cc1ccoc1CNCCS 5e8254df99f491198bd01fff44a0b866 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.180 Cc1ccoc1COCC=O e1840e91d01d39b4a4be41640d7f282b [1,1,0,0,0,0|1,0,1]=4 372 B11R1.180 Cc1ccoc1COCCF 31d483e87080af9794b4167725d9e469 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.180 Cc1ccoc1COCCS 67761240b4b3cead990ce2bd486433f6 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.180 Cc1cnoc1NC/C=C/Cl 26b7494665b15ee6853fa62a5814b1dd [1,1,0,0,0,0|2,0,0]=4 375 B11R1.180 Cc1cnoc1NC/C=C\Cl 31ebffc4d0d1eb0b512c095f4cdfdc1e [1,1,0,0,0,0|2,0,0]=4 376 B11R1.180 Cc1cnoc1NC/C=C\O 1d679802a9c81904fcdff5a22f840d30 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.228 Cc1ccoc1CN(C)C=O 50873913070b59ed934593e91023ce34 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.25 CC(CF)OCc1ccco1 7a6c9d5edc9a65d3a477e45540cf06b6 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.25 CC(CO)NCc1ccco1 e11a1dcc997402b9ca10ebd6c1d728d8 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.25 CCC(=O)NCc1ccco1 83a3424c0a2cb7e1166334a3685172c7 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.25 CCC(C)NCc1ccco1 5f8142dfde0b789474d1611a11bd8a03 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.25 CCC(C)OCc1ccco1 1d3865e51cab5c0be5992c253ab61007 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.25 CC[C@@H](C)OCc1ccco1 a76b1dfd367e870139dad05cc969c789 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.25 CC[C@H](C)OCc1ccco1 f9cdf73fec17b5adbe5d6d95690f8ec6 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.25 C[C@@H](CO)NCc1ccco1 2b9b1d2922178f6f79ded161cd99a8d3 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.25 C[C@H](CO)NCc1ccco1 d1c1d3584d51f54226efd246214dd928 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.25 O=C(CF)NCc1ccco1 84588230b201d06c07b9a063871937ae [1,1,0,0,0,0|2,0,0]=4 388 B11R1.25 O=C(CO)NCc1ccco1 df70aa8594e340b9ca90aef387447fda [1,1,0,0,0,0|2,0,0]=4 389 B11R1.25 O=C(CS)NCc1ccco1 cd6653eaf0be7fe394f59c7de3df0476 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.35 CC(=O)N(C)Cc1ccco1 595130f102a13741ef8c5e6d70797c2c [1,1,0,0,0,0|2,0,0]=4 391 B11R1.35 CC(C)N(C)Cc1ccco1 cee0dc5c5544607301dd1c2d555bd4e1 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.75 CC(=O)NCc1cc(co1)C c264239ea631634196e8ffbc272a6263 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.75 CC(=O)NCc1ccc(o1)Br 6e710dbc8a7ab5ca5f302eac2d542d29 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.75 CC(=O)NCc1ccc(o1)C b13cd0bd40ca6cf6e3c39d68d12bdda4 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.75 CC(C)NCc1ccc(o1)Br a7d483e22c98aa519c0d57b297a3e305 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.75 CC(C)OCc1cc(co1)Br 6dcc718299df47ca5670faa3ee10cc2a [1,1,0,0,0,0|1,0,1]=4 397 B11R1.75 CC(C)OCc1ccc(o1)Br 4572bd0ae662cbcc2083e6c5e472cae9 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.75 Cc1ccc(o1)CNC(C)C 17906d5fa8553b52e59fdc5d95921f17 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.75 Cc1ccc(o1)COC(C)C 0e7aacbb60b32ca81c5945b28486e61e [1,1,0,0,0,0|1,0,1]=4 400 B11R1.75 Cc1coc(c1)CNC(C)C 2dcd43bd39a6e62a53c73bb8727417e2 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.77 CC(=O)NC(C)c1ccco1 c1f414cbe29927a43c5ea82bc1066b08 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.77 CC(=O)N[C@H](C)c1ccco1 b21b5fa102dd5d98ec9d9b39f45da936 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.510 CC(C)(C)NCc1ccco1 0d7c926a0e622b7d3b3c77fa6b1a0c7f [1,1,0,0,0,0|1,0,1]=4 404 B13R1.103 C/C(=C/CNc1occc1C#N)/I 22a4ed24a71bc62700262a249eeb2123 [0,1,0,0,0,1|1,0,1]=4 405 B13R1.103 C/C(=C\CNc1occc1C#N)/Cl bc324f099d41f9677fcaf8090bd1849e [0,1,0,0,0,1|1,0,1]=4 406 B13R1.103 CC(=CCNc1[nH]ccc1C#N)C 3efcf291ac25c85f6faa9a82ce103277 [0,1,0,0,0,1|1,0,1]=4 407 B13R1.103 CC(=CCNc1ccsc1CO)C ee4a286f707e268a0b94b09671360819 [0,1,0,0,0,1|2,0,0]=4 408 B13R1.103 CC(=CCNc1ncsc1CO)C b23956c712965bb842856f428d7bda80 [0,1,0,0,0,1|2,0,0]=4 409 B13R1.103 CC(=CCNc1occc1C#N)C 60606606e9e1fa8857b65961f911f39a [0,1,0,0,0,1|0,0,1]=3 410 B13R1.103 CC(=CCNc1occc1C#N)Cl 197efb2a6daafdbbe908c246352ed00e [0,1,0,0,0,1|1,0,1]=4 411 B13R1.103 CC(=CCNc1occc1C#N)I dba0c87bb530faa8575194e78153c5b6 [0,1,0,0,0,1|1,0,1]=4 412 B13R1.103 CC(=CCNc1ocnc1C#N)C 2198692a3bd693dfea3b15ef607f9848 [0,1,0,0,0,1|1,0,1]=4 413 B13R1.103 CC(=CCNc1oncc1C#N)C ff164f706c8d16c42ce76040d1192a50 [0,1,0,0,0,1|1,0,1]=4 414 B13R1.103 CC(=CCNc1sccc1C#N)C 3a3f282ac12c636975e16dbd8f483f44 [0,1,0,0,0,1|0,1,1]=4 415 B13R1.103 CC(=CCNc1sccc1CO)C 18ca1369af33896e4908e4c22a91fee4 [0,1,0,0,0,1|0,1,0]=3 416 B13R1.103 CC(=CCNc1scnc1CO)C f3b877e5c1c72080c188545665c1aece [0,1,0,0,0,1|1,1,0]=4 417 B13R1.103 CCc1c[nH]nc1NCC=C(C)C f8b7739ff4149e5c0028de590511470d [0,1,0,0,0,1|2,0,0]=4 418 B13R1.103 CCc1ccsc1NCC=C(C)C a7fe0774f5701b7722c747b322a27660 [0,1,0,0,0,1|0,1,0]=3 419 B13R1.103 CCc1cnoc1NC/C=C(/C)\I ae3c5ffcca90725ad67a6f9f10988983 [0,1,0,0,0,1|2,0,0]=4 420 B13R1.103 CCc1cnoc1NC/C=C(\C)/Cl b14e8ce0b668119a7743aa6d9beedadf [0,1,0,0,0,1|2,0,0]=4 421 B13R1.103 CCc1cnoc1NCC=C(C)C 75800bee24555304161656255ab8834c [0,1,0,0,0,1|1,0,0]=3 422 B13R1.103 CCc1cnoc1NCC=C(C)Cl aa5de99e7d2612373bb07062ea9d04c1 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.103 CCc1cnoc1NCC=C(C)I 6d96cfa84edddf0f85769485ecd074ab [0,1,0,0,0,1|2,0,0]=4 424 B13R1.103 CCc1sccc1NCC=C(C)C 15f51b416a46ea46f83e22b4ec265a16 [0,1,0,0,0,1|2,0,0]=4 425 B13R1.103 CCn1ccnc1NCC=C(C)C fe08c96f50b2fc855b2cf1688af8f2c9 [0,1,0,0,0,1|2,0,0]=4 426 B13R1.103 COc1c[nH]nc1NCC=C(C)C 85368acc728f5affec110250d19726ec [0,1,0,0,0,1|2,0,0]=4 427 B13R1.103 CSc1sccc1NCC=C(C)C 317f1c2e6fa8500ed15e43e06f4fdba9 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.169 C=C(Br)C(=O)NCc1occc1C ba05e64f588b099df0b0d96ddeed86fa [0,1,0,0,0,1|1,0,1]=4 429 B13R1.169 C=C(C)C(=O)NCc1occc1C 0ee8a2caf872ffe9c1d9df9aabaf01ce [0,1,0,0,0,1|0,0,1]=3 430 B13R1.169 C=C(Cl)C(=O)NCc1occc1C 543213815c077db381fda54bed11c55a [0,1,0,0,0,1|1,0,1]=4 431 B13R1.169 C=C(F)C(=O)NCc1occc1C 70f47356d33635590752a870fd8441f0 [0,1,0,0,0,1|1,0,1]=4 432 B13R1.169 CC(=O)C(=O)CNc1oncc1C 022a66303eb03c14ecf727b089ec475e [0,1,0,0,0,1|2,0,0]=4 433 B13R1.169 CC(=O)C(=O)NCc1occc1C 6d45d255ee0faeff2f5eea9f0c1d3f49 [0,1,0,0,0,1|1,0,0]=3 434 B13R1.169 CC(=O)C(C)NCc1occc1C 3480ff0857dabd43e2138543857fccb8 [0,1,0,0,0,1|1,0,1]=4 435 B13R1.169 CC(=O)C(C)OCc1occc1C bee7398fe12eecac8a93898a1c552918 [0,1,0,0,0,1|1,0,1]=4 436 B13R1.169 Cc1ccoc1CNC(=O)C(=O)N b29cf28ce4f019bc8d3cd1f28c9ca647 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.169 Cc1ccoc1CNC(=O)C(C)F 2076dec4dbf0add44ced914303b3e44d [0,1,0,0,0,1|1,0,1]=4 438 B13R1.169 Cc1ccoc1CNC(=O)C(C)O 743cf6f79571a58a7f4f5cf8569e14a8 [0,1,0,0,0,1|1,0,1]=4 439 B13R1.169 Cc1ccoc1CNC(=O)C(C)S acc3faf38b74c541d968ddcaacddc1b4 [0,1,0,0,0,1|1,0,1]=4 440 B13R1.169 Cc1ccoc1CNC(=O)[C@@H](C)F 1cee6cdd7458571fe3f6ff7558000a52 [0,1,0,0,0,1|1,0,1]=4 441 B13R1.169 Cc1ccoc1CNC(=O)[C@@H](C)O 103f0d7b666bd9558448853ed4d197f2 [0,1,0,0,0,1|1,0,1]=4 442 B13R1.169 Cc1ccoc1CNC(=O)[C@H](C)F c7dd38beba2b0a91f919605ae055a90d [0,1,0,0,0,1|1,0,1]=4 443 B13R1.169 Cc1ccoc1CNC(=O)[C@H](C)O 6f30e8e8011ab8f07c2d66cc03eeea4c [0,1,0,0,0,1|1,0,1]=4 444 B13R1.169 Cc1ccoc1CNC(C)C(C)C e9e75a50b77b23a68a129b60a0234a35 [0,1,0,0,0,1|0,0,2]=4 445 B13R1.169 Cc1ccoc1COC(C)C(C)C eccfd0b0dbd0c514bd2f41eebcc01231 [0,1,0,0,0,1|0,0,2]=4 446 B13R1.169 Cc1ccsc1NCC(=O)N(C)C 03fdc7a6c0268a19d5d5b4556f977216 [0,1,0,0,0,1|1,1,0]=4 447 B13R1.169 Cc1cnoc1NCC(=O)C(C)C e804b0e329ca440d3b5480027d4ec589 [0,1,0,0,0,1|1,0,1]=4 448 B13R1.169 Cc1cnoc1NCC(=O)N(C)C 2750337841d53433b74452b956d25131 [0,1,0,0,0,1|2,0,0]=4 449 B13R1.195 Cc1ccoc1CNCC(C)(C)C f7cc250e6deee898ac4687aa93477fe5 [0,1,0,0,0,1|0,0,2]=4 450 B13R1.195 Cc1ccoc1CNCC(C)(C)F 8dae06acb6e62807e052760100806dde [0,1,0,0,0,1|0,0,2]=4 451 B13R1.195 Cc1ccoc1CNCC(C)(C)O 9c2c2ec1e279eb57a304f614d6ccadec [0,1,0,0,0,1|0,0,2]=4 452 B13R1.195 Cc1ccoc1COCC(C)(C)C 478e13af251e4690f520eb6afc476441 [0,1,0,0,0,1|0,0,2]=4 453 B13R1.195 Cc1ccoc1COCC(C)(C)F 99dcc1110db022b3bc5493acd7ebdfdb [0,1,0,0,0,1|0,0,2]=4 454 B13R1.195 Cc1ccoc1COCC(C)(C)O 60c271df16ebc3c47949f01f76c091ba [0,1,0,0,0,1|0,0,2]=4 455 B13R1.282 C=C(C)CN(C)Cc1occc1C 209d9309c3bd9472551b0a027ec0525a [0,1,0,0,0,1|0,0,2]=4 456 B13R1.282 CC(=CC(=O)Nc1oncc1C)C b7dcc8e854b1914b5b9fec7d67b1e440 [0,1,0,0,0,1|1,0,1]=4 457 B13R1.282 Cc1ccoc1CN(C)CC(C)C 6a4b4252e4c52c3242110f87d338b520 [0,1,0,0,0,1|0,0,2]=4 458 B13R1.599 C=C(CC)CNCc1occc1C 557e42e6642b08c3fc1104eda4e73ff0 [0,1,0,0,0,1|0,0,2]=4 459 B13R1.599 C=C(CC)COCc1occc1C e6a78e6df0e155b389d65cb6cefbc441 [0,1,0,0,0,1|0,0,2]=4 460 B13R1.599 C=C(CNCc1occc1C)OC cb1f7e362115e1ced57f18574460b628 [0,1,0,0,0,1|0,0,2]=4 461 B13R1.599 C=C(CO)CNCc1occc1C 358c9e763b5d3cb011864c97a7d893e4 [0,1,0,0,0,1|0,0,2]=4 462 B13R1.599 C=C(COCc1occc1C)OC 74bdbe1ba1f16ef52c270510cafc11c8 [0,1,0,0,0,1|0,0,2]=4 463 B13R1.599 CCC(=O)CNCc1occc1C 345d0e81e8fd0f0ebfe2a4c13cc23dd1 [0,1,0,0,0,1|1,0,1]=4 464 B13R1.599 CCC(=O)COCc1occc1C c680dcba7c743c841cfb40ae9fe76b58 [0,1,0,0,0,1|1,0,1]=4 465 B13R1.599 CCC(C)CNCc1occc1C a758ed9dec69890173df47218390f2f4 [0,1,0,0,0,1|0,0,2]=4 466 B13R1.599 CCC(C)COCc1occc1C 1c98f51c099c335b7c1a04c3334cf115 [0,1,0,0,0,1|0,0,2]=4 467 B13R1.599 CC[C@@H](C)CNCc1occc1C ffa4a6adb51a3d7d57ff397202343d25 [0,1,0,0,0,1|0,0,2]=4 468 B13R1.599 CC[C@@H](C)COCc1occc1C 6c87fdd85a43e314af816b6595e665a3 [0,1,0,0,0,1|0,0,2]=4 469 B13R1.599 CC[C@H](C)CNCc1occc1C fa009f59351b2e7692b146c369186d1e [0,1,0,0,0,1|0,0,2]=4 470 B13R1.599 CC[C@H](C)COCc1occc1C 31905d378572a5ac144077450914a68b [0,1,0,0,0,1|0,0,2]=4 471 B13R1.599 CNC(=O)CNCc1occc1C d1235a2a03f57fcd94640cf6ea40e774 [0,1,0,0,0,1|1,0,1]=4 472 B13R1.599 CNC(=O)COCc1occc1C 7f12ac0470aa6d13df25064cbac0872a [0,1,0,0,0,1|1,0,1]=4 473 B13R1.599 COC(=O)CNCc1occc1C 0fcab89a4783e8c5a3ce22fbc42267eb [0,1,0,0,0,1|1,0,1]=4 474 B13R1.599 COC(=O)COCc1occc1C 48d7d42d549b698bfc2b27f2088d6350 [0,1,0,0,0,1|1,0,1]=4 475 B13R1.599 COC(C)CNCc1occc1C 806d6a57c000caaa79326fe251c6e7e2 [0,1,0,0,0,1|0,0,2]=4 476 B13R1.599 COC(C)COCc1occc1C e076710fdb70a8af318280a255d1aee0 [0,1,0,0,0,1|0,0,2]=4 477 B13R1.599 CO[C@@H](C)CNCc1occc1C ae6912ca25e760c6f50d9558d99ee555 [0,1,0,0,0,1|0,0,2]=4 478 B13R1.599 CO[C@@H](C)COCc1occc1C c3b1ec0faaf377ab937660070e52663e [0,1,0,0,0,1|0,0,2]=4 479 B13R1.599 CO[C@H](C)CNCc1occc1C 37721cc34734e10eaf77e363a5768d8e [0,1,0,0,0,1|0,0,2]=4 480 B13R1.599 CO[C@H](C)COCc1occc1C 1a8d3aead3f41bb3c9daf30ee13cbf05 [0,1,0,0,0,1|0,0,2]=4 481 B13R1.599 Cc1ccoc1CNCC(=O)CO 8933ae23238bfb949be7a842bbed40d8 [0,1,0,0,0,1|1,0,1]=4 482 B13R1.599 Cc1ccoc1CNCC(C)CO dcc9d3da659b1b3d6b6c8518bc9da5de [0,1,0,0,0,1|0,0,2]=4 483 B13R1.599 Cc1ccoc1CNC[C@@H](C)CO 5a07637b7b8b939957369c35ee2faf93 [0,1,0,0,0,1|0,0,2]=4 484 B13R1.599 Cc1ccoc1CNC[C@H](C)CO d1381984caa5b51b78bcddf4074e0b6f [0,1,0,0,0,1|0,0,2]=4 485 B13R1.3485 CC(=CCNc1cc(sc1C)C)C 442438eb2c13ab4b83a3a77b3bf147e0 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.3485 CC(=CCNc1nc([nH]c1C)C)C 62471794d61b7866162d3aee18e93782 [0,1,0,0,0,1|2,0,0]=4 487 B13R1.3485 CC(=CCNc1nc(cn1C)Br)C fae57fa2da7e8b46e7396c8c11e5fcbb [0,1,0,0,0,1|2,0,0]=4 488 B13R1.3485 CC(=CCNc1nc(cn1C)C)C dd6bfeb25a71407ddd9753ba738fa6ac [0,1,0,0,0,1|2,0,0]=4 489 B13R1.3485 CC(=CCNc1nc(oc1C)C)C c46b1be29419818ba6b36670debf761c [0,1,0,0,0,1|2,0,0]=4 490 B13R1.3485 CC(=CCNc1nc(sc1C)C)C 75f51d1367f527b800d7fee2fe9c706d [0,1,0,0,0,1|2,0,0]=4 491 B13R1.3485 CC(=CCNc1nc(sc1C)N)C 70cf83adedc01022b167a9ecda0f6708 [0,1,0,0,0,1|2,0,0]=4 492 B13R1.3485 CC(=CCNc1nn(cc1C)C)C 03a543305e7677814eb4e0095ad06c50 [0,1,0,0,0,1|2,0,0]=4 493 B13R1.3485 CC(=CCNc1oc(nc1C)C)C 6b3b24b637e505909adda2428542b21a [0,1,0,0,0,1|1,0,0]=3 494 B13R1.3485 CC(=CCNc1sc(nc1C)C)C 21a14ec4b7f3ed2a30a089ad2de77cbb [0,1,0,0,0,1|1,1,0]=4 495 B13R1.3485 CC(=CCNc1sc(nc1C)N)C 168756435ea722bbb710697d9e265edc [0,1,0,0,0,1|1,1,0]=4 496 B13R1.3485 CC(=CCOC1OC(=O)C=C1C)C 0946c0546fc2950cc0c2555f6ae066d1 [0,1,0,0,0,1|0,0,1]=3 497 B13R1.3485 CC(=CCOC1OC(=O)C=C1C)Cl 890ef3211952262b89339a8493a25d31 [0,1,0,0,0,1|1,0,1]=4 498 B13R1.3485 CC(=CCOC1OC(=O)C=C1C)I 286c0b2f684935664fa05dee17e934b0 [0,1,0,0,0,1|1,0,1]=4 499 B13R1.3485 CC(=CCOC1OC(=O)C=C1Cl)C 3ba7ee640f6d33ce628c8c99be42ec50 [0,1,0,0,0,1|1,0,1]=4 500 B13R1.3485 CC(=CCOc1[nH]c(nc1C)C)C b2fefccea16041bc689a8fc77e80cd4c [0,1,0,0,0,1|2,0,0]=4 501 B13R1.3485 CC1=CC(=O)OC1OC/C=C(/C)\I 8c146530b72321ffadcd98f88da14b9b [0,1,0,0,0,1|1,0,1]=4 502 B13R1.3485 CC1=CC(=O)OC1OC/C=C(\C)/Cl f225ce018235c2157e4c26a8811a7fe4 [0,1,0,0,0,1|1,0,1]=4 503 B13R1.3529 CC(=CCNc1c(cnn1C)C)C 64bfad3c4890ccbba356e20ab6d41382 [0,1,0,0,0,1|2,0,0]=4 504 B13R1.3529 CC(=CCNc1c(ncn1C)C)C 9fd0c99b8c69b78b1b1768be86695dae [0,1,0,0,0,1|2,0,0]=4 505 B13R1.7544 C/C(=C/CNc1onc(c1C)C)/I b1e273912784976f7e581e6643224744 [0,1,0,0,0,1|2,0,0]=4 506 B13R1.7544 C/C(=C\CNc1onc(c1C)C)/Cl 2cff71d3087dca4626640e6a74f05be5 [0,1,0,0,0,1|2,0,0]=4 507 B13R1.7544 CC(=CCNc1[nH]nc(c1C)C)C b169ff46a61a191602b81f9155e9acc7 [0,1,0,0,0,1|2,0,0]=4 508 B13R1.7544 CC(=CCNc1n[nH]c(c1C)Br)C 779d30b1a344a79eb02057123793e7d3 [0,1,0,0,0,1|2,0,0]=4 509 B13R1.7544 CC(=CCNc1noc(c1C)C)C 98ed6adfa0a9b1b91dca14533e8498d3 [0,1,0,0,0,1|2,0,0]=4 510 B13R1.7544 CC(=CCNc1onc(c1Br)C)C 356d27305497cb1679a51f0e0f32d755 [0,1,0,0,0,1|2,0,0]=4 511 B13R1.7544 CC(=CCNc1onc(c1C)C)C 62a2c453c9958ef9072274c9ced7926c [0,1,0,0,0,1|1,0,0]=3 512 B13R1.7544 CC(=CCNc1onc(c1C)C)Cl bb5d242e429a69b699ad5f5b20fee883 [0,1,0,0,0,1|2,0,0]=4 513 B13R1.7544 CC(=CCNc1onc(c1C)C)I bbd80ff34203021e2ca7e7395e2e819b [0,1,0,0,0,1|2,0,0]=4 514 B13R1.7544 CC(=CCNc1onc(c1Cl)C)C 4f0c7c708407472baef2d15dd7d31bec [0,1,0,0,0,1|2,0,0]=4 515 B13R1.7544 CC(=CCNc1onc(c1I)C)C 56e65895d51541e6f5c9c780df95f7a1 [0,1,0,0,0,1|2,0,0]=4 516 B13R1.7544 CC(=CCOC1=C(C(=O)CO1)C)C c3f681d9c41d67edffcee0e26fc0c9fd [0,1,0,0,0,1|0,0,1]=3 517 B13R1.7544 CC(=CCOC1=C(C(=O)CO1)C)Cl 83174a27734c89434f25e7f616c15209 [0,1,0,0,0,1|1,0,1]=4 518 B13R1.7544 CC(=CCOC1=C(C(=O)CO1)C)I 25da5ebda997a267820b5ab5f3992d06 [0,1,0,0,0,1|1,0,1]=4 519 B13R1.7544 CC(=CCOC1=C(C(=O)OC1)C)C 80514810b30ab754796195f6d0211641 [0,1,0,0,0,1|2,0,0]=4 520 B13R1.7544 CC(=CCOc1[nH]nc(c1C)C)C 2b6834dc9ef9f702e0baa33343f55346 [0,1,0,0,0,1|2,0,0]=4 521 B13R1.7544 CC(=CCOc1noc(c1C)C)C d9e33a3e70e851bc3f6870ccfbd71fc8 [0,1,0,0,0,1|2,0,0]=4 522 B13R1.7544 CC1=C(OCC1=O)OC/C=C(/C)\I 5460002fbc86aacc772be014c745097a [0,1,0,0,0,1|1,0,1]=4 523 B13R1.7544 CC1=C(OCC1=O)OC/C=C(\C)/Cl b27487b17fda25703fecc69d3a30d829 [0,1,0,0,0,1|1,0,1]=4 524 B13R1.704 C/C=C(/C)\C(=O)Nc1oncc1C 4cf537dc101cbe518c13d43a5c96a7b3 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.704 C/C=C(\C)/C(=O)Nc1oncc1C cd713696cc1cde4a6ddbd2b9b4c5c6a6 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.704 CC=C(C)C(=O)Nc1oncc1C c342ece3de41e8711343663931917cf8 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.704 CCC(=O)N(C)Cc1occc1C e8ddcf70f1b0b742ecabcea08038619d [0,2,0,0,0,0|2,0,0]=4 528 B13R1.704 CCC(C)N(C)Cc1occc1C b2c0a3829c918f6b53f316a0f84fa7fd [0,2,0,0,0,0|1,0,1]=4 529 B13R1.704 CCN(C)C(=O)Cc1occc1Cl 84fe36e66f95f467c81d21233c896860 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.704 CCN(C)C(=O)Cc1sccc1C 77cdbcbb3643ce1c5b15b5e59043030f [0,2,0,0,0,0|1,1,0]=4 531 B13R1.704 Cc1ccoc1CN(C)C(=O)CF c20c246aa3c4dbd004d532d89edec584 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.704 Cc1ccoc1CN(C)C(=O)CO 1dd3ab550c59ad0da63dc27f7f4ae2f6 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.704 Cc1ccoc1CN(C)C(=O)CS c9ed0e365bdc91ebbddde340cf283f47 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.704 Cc1ccoc1CN(C)C(C)CO 194120885d05190629480bd71fd3ff79 [0,2,0,0,0,0|1,0,1]=4 535 B13R1.704 Cc1ccoc1CN(C)[C@@H](C)CO 7843ddc8518553a76744e9122a636f81 [0,2,0,0,0,0|1,0,1]=4 536 B13R1.704 Cc1ccoc1CN(C)[C@H](C)CO acbf087c98cb65b4d104b1a42ac1b121 [0,2,0,0,0,0|1,0,1]=4 537 B13R1.316 CCC(CC)NCc1occc1C 3f58c0f268d07fdc340c5199b3e79621 [0,2,0,0,0,0|1,0,1]=4 538 B13R1.316 CCC(CC)OCc1occc1C 6f504265caca98143098447bf5bb9317 [0,2,0,0,0,0|1,0,1]=4 539 B13R1.316 CCC(CO)NCc1occc1C e5e7edcf73c44cf85c4fda81627204ee [0,2,0,0,0,0|1,0,1]=4 540 B13R1.316 Cc1ccoc1CNC(CO)CO 4d5e9b464dfeff1e596665618ce5cfa2 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.316 Cc1ccoc1COC(CO)CO 6bb92d7986d3a121ff34bed2bb7bd99b [0,2,0,0,0,0|1,0,1]=4 542 B13R1.444 C#CCC(=O)NCc1occc1C a917ba481d922cd6fb77a016ffd2c14d [0,2,0,0,0,0|2,0,0]=4 543 B13R1.444 C/C=C/C(=O)NCc1occc1C 895cfd0c3d6b5c15a0542509f0150941 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.444 C=CCC(=O)NCc1occc1C ef2b39cfa1fabd0c4f384f56d3fd4fd1 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.444 CC#CC(=O)NCc1occc1C 577dc3389aeab44a7a5f919161380fc2 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.444 CCCC(=O)NCc1occc1C ed94654908012ea4885a083f2e06e957 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.444 CCCC(C)NCc1occc1C 6e0ea681c0a16756c12bad81430a3fd1 [0,2,0,0,0,0|1,0,1]=4 548 B13R1.444 CCCC(C)OCc1occc1C 4316ed7a27bf1dcd9109d1a21efc4096 [0,2,0,0,0,0|1,0,1]=4 549 B13R1.444 COCC(=O)NCc1occc1C dc2e492eced301e669c301ac240cf018 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.444 COCC(C)NCc1occc1C e1e7a0be8446aea405b16e13cf04d1b6 [0,2,0,0,0,0|1,0,1]=4 551 B13R1.444 COCC(C)OCc1occc1C 6cf339bffcd2c6321e530287a17f5d71 [0,2,0,0,0,0|1,0,1]=4 552 B13R1.444 CSCC(=O)NCc1occc1C 5994138c81a7eb2e3977e3173376bd79 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.444 Cc1ccoc1CNC(=O)CC#N b15505762ec6bb75c5ca99032d229c3e [0,2,0,0,0,0|2,0,0]=4 554 B13R1.444 Cc1ccoc1CNC(=O)CC=O c60e38f4f8f3c2f33be4cd3cd8f123b0 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.444 Cc1ccoc1CNC(=O)CCF 8fba1f088ef50556fbacd5a3366db4ae [0,2,0,0,0,0|2,0,0]=4 556 B13R1.444 Cc1ccoc1CNC(=O)CCO f2667ea1e07cd02c0a5d910b0adb52cc [0,2,0,0,0,0|2,0,0]=4 557 B13R1.444 Cc1ccoc1CNC(=O)CCS 9984f2d7ba35cd370973217d4d36eddc [0,2,0,0,0,0|2,0,0]=4 558 B13R1.444 Cc1ccoc1CNC(=O)CON b0c46637cedcbe55b6c1f07c7a2963e5 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.444 Cc1ccoc1CNC(C)CC#N 84ecc24b7b7e62126ebe01bd8c602cee [0,2,0,0,0,0|1,0,1]=4 560 B13R1.444 Cc1ccoc1CNC(C)CCO 7176d95ca25ff32e7c63b50203a5cdd4 [0,2,0,0,0,0|1,0,1]=4 561 B13R1.444 Cc1ccoc1COC(C)CC#N c63acf7bf09b6ef5f48fa5f0da6bb70e [0,2,0,0,0,0|1,0,1]=4 562 B11R1.172 CC(=CCNc1ccoc1)C c895f31f46bb710656bf97d38388bde2 [0,0,1,1,0,0|1,0,1]=4 563 B11R1.172 CC(=CCNc1ccon1)C 3c21cbf753e69e434955e53f4a5ae5dc [0,0,1,1,0,0|2,0,0]=4 564 B11R2.385 c1coc(c1)CNC2CC2 a935d11545af700e1f9217e8d211e17d [1,0,0,1,0,0|1,0,1]=4 565 B11R2.385 c1coc(c1)COC2CC2 03ead378b7018e25b154b738e6adcece [1,0,0,1,0,0|1,0,1]=4 566 B13R2.430 CC(=O)N1CCc2occc2C1 d833edff8fbaf155c90389316aab7001 [0,0,0,1,0,1|1,0,1]=4 567 B13R2.430 CC(C)N1CCc2occc2C1 8fb6fffcf23605dc860b55baf32ed254 [0,0,0,1,0,1|0,0,2]=4 568 B13R2.3140 Cc1ccoc1CNCC2CC2 6dd25c1b5a490c10045042f757f278c0 [0,0,0,1,0,1|0,0,2]=4 569 B13R2.3140 Cc1ccoc1COCC2CC2 7e2904b9ee5398b8442a5b3fe50ec6c4 [0,0,0,1,0,1|0,0,2]=4 570 B13R2.3152 Cc1ccoc1CNC2CCC2 eda693258d2ae57cab83846ad308c8a5 [0,1,0,1,0,0|1,0,1]=4 571 B13R2.3152 Cc1ccoc1COC2CCC2 f90ccb7951e62caa7eaa6d5920138713 [0,1,0,1,0,0|1,0,1]=4 572 B13R2.3152 Cc1ccoc1COC2COC2 ec8f38bdcd02f2022a91d6fca51c491a [0,1,0,1,0,0|1,0,1]=4 573 B9R1.13 CC(C)Oc1ccco1 6706bc489021fd5e63c9cd08f454e9c6 [1,0,0,0,1,0|1,0,1]=4 574 B11R0.93 C=CC(C)NC(=O)CC=C(C)C 50b61c9710c57d5df3f2afe085c6e621 [0,0,1,0,0,1|0,0,2]=4 575 B13R1.158 C/C(=C/CNc1ccccc1C)/I 9602dd8ad30219999ef323a6e515f64d [0,0,0,0,0,2|2,0,0]=4 576 B13R1.158 C/C(=C/CNc1cccnc1C)/I a72caa1432984b7877822922ae72426e [0,0,0,0,0,2|2,0,0]=4 577 B13R1.158 C/C(=C/CNc1ccncc1C)/I 22abd8244e54a7a4587030dfa0e04572 [0,0,0,0,0,2|2,0,0]=4 578 B13R1.158 C/C(=C/CNc1cnccc1C)/I 4cf8541a096198d1e758c72337c448f8 [0,0,0,0,0,2|2,0,0]=4 579 B13R1.158 C/C(=C/CNc1ncccc1C)/I b6be94ee0465c880196281def3e5f4cd [0,0,0,0,0,2|2,0,0]=4 580 B13R1.158 C/C(=C/CNc1nccnc1C)/I b6ed5eb61918485b8e1208a17a05be84 [0,0,0,0,0,2|2,0,0]=4 581 B13R1.158 C/C(=C/CNc1ncncc1C)/I 73d6423c214521aaca86be995255238f [0,0,0,0,0,2|2,0,0]=4 582 B13R1.158 C/C(=C/CNc1nnccc1C)/I c9e49205ec50fe4b171b7defdf99767b [0,0,0,0,0,2|2,0,0]=4 583 B13R1.158 C/C(=C/COc1ccccc1C)/I 5a16fba8ad762779262b380b542f6eec [0,0,0,0,0,2|2,0,0]=4 584 B13R1.158 C/C(=C/COc1cccnc1C)/I 7e1c30858672b689d798cd2b88aecc08 [0,0,0,0,0,2|2,0,0]=4 585 B13R1.158 C/C(=C/COc1ccncc1C)/I 1c32c20b35c2b66481fa7e9f9e6e9d5e [0,0,0,0,0,2|2,0,0]=4 586 B13R1.158 C/C(=C/COc1cnccc1C)/I df91252b0935ae0dbd5f5146c902f2cb [0,0,0,0,0,2|2,0,0]=4 587 B13R1.158 C/C(=C/COc1coccc1=O)/I 4c16d99b3124f66c1e5e0f69e8dc92f0 [0,0,0,0,0,2|2,0,0]=4 588 B13R1.158 C/C(=C/COc1ncccc1C)/I a4bdac2e59bdd3af58568e3dff40288d [0,0,0,0,0,2|2,0,0]=4 589 B13R1.158 C/C(=C/COc1nccnc1C)/I ffbacb0f2997acdce3f51e67a0737653 [0,0,0,0,0,2|2,0,0]=4 590 B13R1.158 C/C(=C/COc1ncncc1C)/I 38d8dc605af6522d6f082facf17565af [0,0,0,0,0,2|2,0,0]=4 591 B13R1.158 C/C(=C/COc1nnccc1C)/I 97ab437b105a13a583b9b7c065e2e42d [0,0,0,0,0,2|2,0,0]=4 592 B13R1.158 C/C(=C\CNc1ccccc1C)/Cl 0c39cff7d6e6fc307e9b9509967fd24a [0,0,0,0,0,2|2,0,0]=4 593 B13R1.158 C/C(=C\CNc1cccnc1C)/Cl a07c92bdda35a670d6a1bc74b90d4645 [0,0,0,0,0,2|2,0,0]=4 594 B13R1.158 C/C(=C\CNc1ccncc1C)/Cl b5db0eedb9ba6fce1e1817a9e41fcd0f [0,0,0,0,0,2|2,0,0]=4 595 B13R1.158 C/C(=C\CNc1cnccc1C)/Cl 709262472d891930d756d89d36507573 [0,0,0,0,0,2|2,0,0]=4 596 B13R1.158 C/C(=C\CNc1ncccc1C)/Cl 40eb7042272955e7e651f17b3352a407 [0,0,0,0,0,2|2,0,0]=4 597 B13R1.158 C/C(=C\CNc1nccnc1C)/Cl b0c3726c6bd81ba5387928397fe6e748 [0,0,0,0,0,2|2,0,0]=4 598 B13R1.158 C/C(=C\CNc1ncncc1C)/Cl 961c54252d9bff812eb283819899a176 [0,0,0,0,0,2|2,0,0]=4 599 B13R1.158 C/C(=C\CNc1nnccc1C)/Cl 14e3a9e3e24df37602b675e0f08f29b9 [0,0,0,0,0,2|2,0,0]=4 600 B13R1.158 C/C(=C\COc1ccccc1C)/Cl 56a828380af0f1921b72332fb20734ae [0,0,0,0,0,2|2,0,0]=4 601 B13R1.158 C/C(=C\COc1cccnc1C)/Cl a7e481ac511500d7599966128ca0a5f6 [0,0,0,0,0,2|2,0,0]=4 602 B13R1.158 C/C(=C\COc1ccncc1C)/Cl 7919cc9231699367d6b51f205018be89 [0,0,0,0,0,2|2,0,0]=4 603 B13R1.158 C/C(=C\COc1cnccc1C)/Cl 7e5e6b4f3a2fb5e95025e7c959af49a3 [0,0,0,0,0,2|2,0,0]=4 604 B13R1.158 C/C(=C\COc1coccc1=O)/Cl 49626468e041773fbe45657a41bddabb [0,0,0,0,0,2|2,0,0]=4 605 B13R1.158 C/C(=C\COc1ncccc1C)/Cl 54687291592aedc9d77239a2b6d5226a [0,0,0,0,0,2|2,0,0]=4 606 B13R1.158 C/C(=C\COc1nccnc1C)/Cl 5efde9e975a6574aec8b1845530c6d1f [0,0,0,0,0,2|2,0,0]=4 607 B13R1.158 C/C(=C\COc1ncncc1C)/Cl 0da81bfb9612d1f53c2fbd76353bd705 [0,0,0,0,0,2|2,0,0]=4 608 B13R1.158 C/C(=C\COc1nnccc1C)/Cl d91b4323a9f33ff36949dc80c26dbcdb [0,0,0,0,0,2|2,0,0]=4 609 B13R1.158 CC(=CCNc1c[nH]ccc1=O)C 4cd666a8221e01f17e248f73072f106f [0,0,0,0,0,2|2,0,0]=4 610 B13R1.158 CC(=CCNc1c[nH]ccc1=S)C 8e58342b8a274e9f81a0a3e859598acf [0,0,0,0,0,2|2,0,0]=4 611 B13R1.158 CC(=CCNc1ccc[nH]c1=O)C 1b93669a28e62add544d549626eb6027 [0,0,0,0,0,2|2,0,0]=4 612 B13R1.158 CC(=CCNc1ccc[nH]c1=S)C 3c4c7712528008974ccdfb73f805535d [0,0,0,0,0,2|2,0,0]=4 613 B13R1.158 CC(=CCNc1ccccc1Br)C 7b2693d793df5324edf4860d2756dbeb [0,0,0,0,0,2|2,0,0]=4 614 B13R1.158 CC(=CCNc1ccccc1C)C 66d8aa3264712cddbb9136324e86b667 [0,0,0,0,0,2|1,0,0]=3 615 B13R1.158 CC(=CCNc1ccccc1C)Cl 2ebd976d74b86508494db11fb00bb7c4 [0,0,0,0,0,2|2,0,0]=4 616 B13R1.158 CC(=CCNc1ccccc1C)I f53bb5a1ab4d26a855c75e01d0362203 [0,0,0,0,0,2|2,0,0]=4 617 B13R1.158 CC(=CCNc1ccccc1Cl)C d1bef12934ecb79cbd3605fb66f64da8 [0,0,0,0,0,2|2,0,0]=4 618 B13R1.158 CC(=CCNc1ccccc1F)C b6eb5b7c936725b8f8b6c65602963529 [0,0,0,0,0,2|2,0,0]=4 619 B13R1.158 CC(=CCNc1ccccc1I)C dc5ebc77041d3745bed693ba06915364 [0,0,0,0,0,2|2,0,0]=4 620 B13R1.158 CC(=CCNc1ccccc1S)C 28bac0106e245171444b6f404d2d7f3c [0,0,0,0,0,2|2,0,0]=4 621 B13R1.158 CC(=CCNc1cccnc1Br)C 1f7e3d1cf6d472b3060a4e93b9b963be [0,0,0,0,0,2|2,0,0]=4 622 B13R1.158 CC(=CCNc1cccnc1C)C aa96d574850907d2a9c40dd95c4da741 [0,0,0,0,0,2|1,0,0]=3 623 B13R1.158 CC(=CCNc1cccnc1C)Cl 9b87c3e2f70dec68677817b5be58c56b [0,0,0,0,0,2|2,0,0]=4 624 B13R1.158 CC(=CCNc1cccnc1C)I 3cc955bbb5bcd4f4bbd9ffed0ec94037 [0,0,0,0,0,2|2,0,0]=4 625 B13R1.158 CC(=CCNc1cccnc1Cl)C 5abeea3c456ea0f01ebfc2e58881ce21 [0,0,0,0,0,2|2,0,0]=4 626 B13R1.158 CC(=CCNc1cccnc1F)C 7fbfd1ce254a2965e2cfc324baedc60f [0,0,0,0,0,2|2,0,0]=4 627 B13R1.158 CC(=CCNc1cccnc1I)C f4a4acbaaa7ec71afb3cb051485ef06b [0,0,0,0,0,2|2,0,0]=4 628 B13R1.158 CC(=CCNc1cccoc1=O)C 75b942be66960d86441c678556e45ce7 [0,0,0,0,0,2|2,0,0]=4 629 B13R1.158 CC(=CCNc1ccncc1Br)C 33f55e2a72e60a0333ec665167dd29ac [0,0,0,0,0,2|2,0,0]=4 630 B13R1.158 CC(=CCNc1ccncc1C)C 94752758863b8d8fa7699fecb98a3f44 [0,0,0,0,0,2|1,0,0]=3 631 B13R1.158 CC(=CCNc1ccncc1C)Cl c07aaaa0d05bb46be4443fb9c45124cd [0,0,0,0,0,2|2,0,0]=4 632 B13R1.158 CC(=CCNc1ccncc1C)I 0bebad03726c81565ae32a17fcf01fe5 [0,0,0,0,0,2|2,0,0]=4 633 B13R1.158 CC(=CCNc1ccncc1Cl)C fcdb92e7b59d2deed1eba455a017bbb8 [0,0,0,0,0,2|2,0,0]=4 634 B13R1.158 CC(=CCNc1ccncc1F)C 834bdb43b2867aa7af96be668967741b [0,0,0,0,0,2|2,0,0]=4 635 B13R1.158 CC(=CCNc1ccncc1I)C 8006c382503911ff9df157ad24b0b354 [0,0,0,0,0,2|2,0,0]=4 636 B13R1.158 CC(=CCNc1ccnnc1C)C 41dd688f1840dd0df1222afc0bf88026 [0,0,0,0,0,2|2,0,0]=4 637 B13R1.158 CC(=CCNc1cnccc1Br)C bd12496d6a7b2c363fd5847a0032f1bf [0,0,0,0,0,2|2,0,0]=4 638 B13R1.158 CC(=CCNc1cnccc1C)C 8c2ac140a3ea0c7caa815a47f042d628 [0,0,0,0,0,2|1,0,0]=3 639 B13R1.158 CC(=CCNc1cnccc1C)Cl c61b4b2296ef7b56ec7338b1b3be1cc1 [0,0,0,0,0,2|2,0,0]=4 640 B13R1.158 CC(=CCNc1cnccc1C)I 3c907ecf12e8136843c44e1f5774cd24 [0,0,0,0,0,2|2,0,0]=4 641 B13R1.158 CC(=CCNc1cnccc1Cl)C 056eb46cc1a4eb98fa5faf32a1b163a7 [0,0,0,0,0,2|2,0,0]=4 642 B13R1.158 CC(=CCNc1cnccc1F)C 0e6c6b9f77897dbc6b359d9231eb39a7 [0,0,0,0,0,2|2,0,0]=4 643 B13R1.158 CC(=CCNc1cnccc1I)C b0f685b5f5f299576ad04f53193ed847 [0,0,0,0,0,2|2,0,0]=4 644 B13R1.158 CC(=CCNc1cncnc1C)C 0fa0c127a089757a281fe5340b9f82ac [0,0,0,0,0,2|2,0,0]=4 645 B13R1.158 CC(=CCNc1ncc[nH]c1=O)C be92a654186b9fbb417a0912df2148d5 [0,0,0,0,0,2|2,0,0]=4 646 B13R1.158 CC(=CCNc1ncccc1Br)C 344b0fd66e87effea62ad4721d118e00 [0,0,0,0,0,2|2,0,0]=4 647 B13R1.158 CC(=CCNc1ncccc1C)C 5725732a93cbf379e759e8560254403d [0,0,0,0,0,2|1,0,0]=3 648 B13R1.158 CC(=CCNc1ncccc1C)Cl e9971109ccb09545208d6b79f0a73013 [0,0,0,0,0,2|2,0,0]=4 649 B13R1.158 CC(=CCNc1ncccc1C)I 0b211548b6aeb5566e96ad88d51d4557 [0,0,0,0,0,2|2,0,0]=4 650 B13R1.158 CC(=CCNc1ncccc1Cl)C 2a9b40a0ea775ca1635ed99712eac8a0 [0,0,0,0,0,2|2,0,0]=4 651 B13R1.158 CC(=CCNc1ncccc1F)C 6d7f98a556bcf90d0214bb04012bc20a [0,0,0,0,0,2|2,0,0]=4 652 B13R1.158 CC(=CCNc1ncccc1I)C 120bf613978da85cbd8a62fc0f9acbef [0,0,0,0,0,2|2,0,0]=4 653 B13R1.158 CC(=CCNc1ncccc1O)C adfc536d9634856e0ef52f12060a4e9e [0,0,0,0,0,2|2,0,0]=4 654 B13R1.158 CC(=CCNc1nccnc1Br)C c64cbd777bf246a58b91aca2df235950 [0,0,0,0,0,2|2,0,0]=4 655 B13R1.158 CC(=CCNc1nccnc1C)C edad9c9782b45260a2dbb602e19b7387 [0,0,0,0,0,2|1,0,0]=3 656 B13R1.158 CC(=CCNc1nccnc1C)Cl 33f5894d7c4f1b3f0be62ae8fb55b734 [0,0,0,0,0,2|2,0,0]=4 657 B13R1.158 CC(=CCNc1nccnc1C)I 462de7aeb26f658af3d3bafe74b717b2 [0,0,0,0,0,2|2,0,0]=4 658 B13R1.158 CC(=CCNc1nccnc1Cl)C df4a4b5f21205405ab4eb5db4928f423 [0,0,0,0,0,2|2,0,0]=4 659 B13R1.158 CC(=CCNc1nccnc1F)C e0e0bd81e5cdcb3bfe7d440fd81b04b9 [0,0,0,0,0,2|2,0,0]=4 660 B13R1.158 CC(=CCNc1nccnc1I)C 03d44de3a1c9c83cf12c0887acabdc3b [0,0,0,0,0,2|2,0,0]=4 661 B13R1.158 CC(=CCNc1ncncc1Br)C da20630b439a992aeb69cb2dc237120e [0,0,0,0,0,2|2,0,0]=4 662 B13R1.158 CC(=CCNc1ncncc1C)C e924e307d2d1ee27104356ff69f0b15a [0,0,0,0,0,2|1,0,0]=3 663 B13R1.158 CC(=CCNc1ncncc1C)Cl cd7859fb5a9948b8f56eec2e82b40985 [0,0,0,0,0,2|2,0,0]=4 664 B13R1.158 CC(=CCNc1ncncc1C)I b846e1c22e99b9a7b8d4b0ecb891e817 [0,0,0,0,0,2|2,0,0]=4 665 B13R1.158 CC(=CCNc1ncncc1Cl)C cc4a81629a0e67072008885642fa7acd [0,0,0,0,0,2|2,0,0]=4 666 B13R1.158 CC(=CCNc1ncncc1F)C e7d0a19699a5f1e7b3924efaa5073653 [0,0,0,0,0,2|2,0,0]=4 667 B13R1.158 CC(=CCNc1ncncc1I)C d0066c157dc79f58f64e9c4408586504 [0,0,0,0,0,2|2,0,0]=4 668 B13R1.158 CC(=CCNc1nnccc1C)C 132a5814727a324c03fa7d37a92e9092 [0,0,0,0,0,2|1,0,0]=3 669 B13R1.158 CC(=CCNc1nnccc1C)Cl 7f4c8f84855af27e6085a9cf1c277a35 [0,0,0,0,0,2|2,0,0]=4 670 B13R1.158 CC(=CCNc1nnccc1C)I 13ec0b2ad7f2eef1d512c3fa7f26ed4a [0,0,0,0,0,2|2,0,0]=4 671 B13R1.158 CC(=CCOc1ccc[nH]c1=S)C ad38c1c12ed641a0c58f81daba3f048e [0,0,0,0,0,2|2,0,0]=4 672 B13R1.158 CC(=CCOc1ccccc1Br)C 8012edf08c5e3fffef90c945e039bbc0 [0,0,0,0,0,2|2,0,0]=4 673 B13R1.158 CC(=CCOc1ccccc1C)C a5f26d6b0d07eeedade62e62fb8846e1 [0,0,0,0,0,2|1,0,0]=3 674 B13R1.158 CC(=CCOc1ccccc1C)Cl 6279ab6d064ac6dedf6fd6894e8fcd35 [0,0,0,0,0,2|2,0,0]=4 675 B13R1.158 CC(=CCOc1ccccc1C)I 9321511c11dfe116e9a9e0975277e424 [0,0,0,0,0,2|2,0,0]=4 676 B13R1.158 CC(=CCOc1ccccc1Cl)C ebd171f3d1c9414ec43f5e41a6315398 [0,0,0,0,0,2|2,0,0]=4 677 B13R1.158 CC(=CCOc1ccccc1F)C 1d0e1942ea0094770ae982f9c371f0f5 [0,0,0,0,0,2|2,0,0]=4 678 B13R1.158 CC(=CCOc1ccccc1I)C caba81b83780fb9742f37ce197af7bc7 [0,0,0,0,0,2|2,0,0]=4 679 B13R1.158 CC(=CCOc1ccccc1S)C d6ae8fa7d4629a9d0acf7513040e27d9 [0,0,0,0,0,2|2,0,0]=4 680 B13R1.158 CC(=CCOc1cccnc1Br)C 5c91df4f1ccdc93c92625facd2df9089 [0,0,0,0,0,2|2,0,0]=4 681 B13R1.158 CC(=CCOc1cccnc1C)C e7212daff04e050b11ad5d8da4d24cf2 [0,0,0,0,0,2|1,0,0]=3 682 B13R1.158 CC(=CCOc1cccnc1C)Cl f32c35bb671135b2e0e90a2b031925b3 [0,0,0,0,0,2|2,0,0]=4 683 B13R1.158 CC(=CCOc1cccnc1C)I 8b53a90300a7bb27071d212b2bd7d2b3 [0,0,0,0,0,2|2,0,0]=4 684 B13R1.158 CC(=CCOc1cccnc1Cl)C 96b6f76d4418a4cb1a15eba959c9601f [0,0,0,0,0,2|2,0,0]=4 685 B13R1.158 CC(=CCOc1cccnc1F)C 76bfb10ed0c281a26fa344d4c4d96de7 [0,0,0,0,0,2|2,0,0]=4 686 B13R1.158 CC(=CCOc1cccnc1I)C 053d4158dec9fc2719b36ae0c0acbfb6 [0,0,0,0,0,2|2,0,0]=4 687 B13R1.158 CC(=CCOc1cccoc1=O)C 81b82a932941dc02c0443768d7bde937 [0,0,0,0,0,2|2,0,0]=4 688 B13R1.158 CC(=CCOc1ccncc1Br)C 376292bf6d1d9fb80545e93dd578ff73 [0,0,0,0,0,2|2,0,0]=4 689 B13R1.158 CC(=CCOc1ccncc1C)C f012f8c7f8528ee5a6e1e6d5866d8d17 [0,0,0,0,0,2|1,0,0]=3 690 B13R1.158 CC(=CCOc1ccncc1C)Cl 3e6a298280e59da005ffc075d308338d [0,0,0,0,0,2|2,0,0]=4 691 B13R1.158 CC(=CCOc1ccncc1C)I cc8d746edf36ea6e6fe21424ecb16a85 [0,0,0,0,0,2|2,0,0]=4 692 B13R1.158 CC(=CCOc1ccncc1Cl)C ed04e5ae9da26a94bcaf821fb1fe7221 [0,0,0,0,0,2|2,0,0]=4 693 B13R1.158 CC(=CCOc1ccncc1F)C cf19bae0defa11bf8791b2b5fd11f8db [0,0,0,0,0,2|2,0,0]=4 694 B13R1.158 CC(=CCOc1cnccc1Br)C 00bbcbcc563f6124e9ff6d0e058b43b8 [0,0,0,0,0,2|2,0,0]=4 695 B13R1.158 CC(=CCOc1cnccc1C)C 87d69415d202f4a41ed31d5faf8a59cc [0,0,0,0,0,2|1,0,0]=3 696 B13R1.158 CC(=CCOc1cnccc1C)Cl 60c67bd384e2b9c97b131b8628c20a09 [0,0,0,0,0,2|2,0,0]=4 697 B13R1.158 CC(=CCOc1cnccc1C)I a57fe9aa5152a248f7033c0722572b24 [0,0,0,0,0,2|2,0,0]=4 698 B13R1.158 CC(=CCOc1cnccc1Cl)C d4d14ab04cd822e2e83e366679499ac5 [0,0,0,0,0,2|2,0,0]=4 699 B13R1.158 CC(=CCOc1cnccc1F)C 8cdd87c240fe4316180be5407d40fd06 [0,0,0,0,0,2|2,0,0]=4 700 B13R1.158 CC(=CCOc1cnccc1I)C 540f207dcd31216c84938cb5bb348131 [0,0,0,0,0,2|2,0,0]=4 701 B13R1.158 CC(=CCOc1cncnc1C)C 87f5764a61453caa74d1208f92b1346b [0,0,0,0,0,2|2,0,0]=4 702 B13R1.158 CC(=CCOc1coccc1=O)C 12b363b2fc2c57bd54a7e6fb982e96f1 [0,0,0,0,0,2|1,0,0]=3 703 B13R1.158 CC(=CCOc1coccc1=O)Cl 3398d9cc213f9da0a2a12595f4777ca3 [0,0,0,0,0,2|2,0,0]=4 704 B13R1.158 CC(=CCOc1coccc1=O)I 7122b3810f9b01b96bade86e51ed66e2 [0,0,0,0,0,2|2,0,0]=4 705 B13R1.158 CC(=CCOc1ncccc1Br)C 37e59409c61236a21e54459aca23b869 [0,0,0,0,0,2|2,0,0]=4 706 B13R1.158 CC(=CCOc1ncccc1C)C 22a4465ad8e736b81a0ee14f8a937559 [0,0,0,0,0,2|1,0,0]=3 707 B13R1.158 CC(=CCOc1ncccc1C)Cl 0262c0081878d4ac620549f038eb9fca [0,0,0,0,0,2|2,0,0]=4 708 B13R1.158 CC(=CCOc1ncccc1C)I ab7fe66e1af18bbf7cf1f462bd98843c [0,0,0,0,0,2|2,0,0]=4 709 B13R1.158 CC(=CCOc1ncccc1Cl)C 97cc89ece08da6efd200f97c450145c5 [0,0,0,0,0,2|2,0,0]=4 710 B13R1.158 CC(=CCOc1ncccc1F)C 1d2af7d21a7c1bcbb2544391b415fb89 [0,0,0,0,0,2|2,0,0]=4 711 B13R1.158 CC(=CCOc1nccnc1Br)C 0b0428ccf0ebfddbc11813f3b4e2c159 [0,0,0,0,0,2|2,0,0]=4 712 B13R1.158 CC(=CCOc1nccnc1C)C e5f88cebd3032f0db7770b48633bc9af [0,0,0,0,0,2|1,0,0]=3 713 B13R1.158 CC(=CCOc1nccnc1C)Cl 3076a43c295c8bb82afd906edb1cc2a3 [0,0,0,0,0,2|2,0,0]=4 714 B13R1.158 CC(=CCOc1nccnc1C)I 50a4c78c221766de35c02e9dc490a5ba [0,0,0,0,0,2|2,0,0]=4 715 B13R1.158 CC(=CCOc1ncncc1C)C 2cbbd79fd42bf48913b45655bd1b976b [0,0,0,0,0,2|1,0,0]=3 716 B13R1.158 CC(=CCOc1ncncc1C)Cl afcaf115855962e45a8709ca708dc2c1 [0,0,0,0,0,2|2,0,0]=4 717 B13R1.158 CC(=CCOc1ncncc1C)I 9c143f9c471459d5ab85a608251aa0e5 [0,0,0,0,0,2|2,0,0]=4 718 B13R1.158 CC(=CCOc1ncncc1Cl)C 5178db170e213bec88ec6780b6a51273 [0,0,0,0,0,2|2,0,0]=4 719 B13R1.158 CC(=CCOc1ncncc1F)C 02cabc2af246d76f611fb3f03422c96b [0,0,0,0,0,2|2,0,0]=4 720 B13R1.158 CC(=CCOc1ncncc1I)C 2bde9faf84552cf4282feeeb9eaa9161 [0,0,0,0,0,2|2,0,0]=4 721 B13R1.158 CC(=CCOc1nnccc1C)C 713272f2e2f288df75e3c8dfd7316f65 [0,0,0,0,0,2|1,0,0]=3 722 B13R1.158 CC(=CCOc1nnccc1C)Cl f328d519c7ef081288b1427bd9d80265 [0,0,0,0,0,2|2,0,0]=4 723 B13R1.158 CC(=CCOc1nnccc1C)I 2238ed2d537ec366f3cfa5df30677784 [0,0,0,0,0,2|2,0,0]=4 724 B13R1.158 CC(=CCOc1nnccc1Cl)C 49799e979254c0bffed9ab12e25b0d0d [0,0,0,0,0,2|2,0,0]=4 725 B13R1.158 CC(=CCOc1nnccc1I)C ce3f323b71c41ac95dfebac3084c3d6c [0,0,0,0,0,2|2,0,0]=4 726 B13R1.149 C/C(=C/CNc1cc(ccn1)C)/I afa53ff67bc1cfd281da5cc39d630411 [0,0,0,0,0,2|2,0,0]=4 727 B13R1.149 C/C(=C/CNc1cccc(c1)C)/I 61ce63f954595163d111f41f62c07094 [0,0,0,0,0,2|2,0,0]=4 728 B13R1.149 C/C(=C/CNc1cccc(n1)C)/I 94da06afe9b86ccba979e415ccd5e8f2 [0,0,0,0,0,2|2,0,0]=4 729 B13R1.149 C/C(=C/CNc1nccc(n1)C)/I 27c509dc2839b63bd09986fff9f03765 [0,0,0,0,0,2|2,0,0]=4 730 B13R1.149 C/C(=C/COc1cc(ccn1)C)/I 2424019c1a27cdc608440b09c8548b4a [0,0,0,0,0,2|2,0,0]=4 731 B13R1.149 C/C(=C/COc1cccc(c1)C)/I 1c48b9530e2fbddb7aa71d5ba8995458 [0,0,0,0,0,2|2,0,0]=4 732 B13R1.149 C/C(=C/COc1cccc(n1)C)/I 4c9bc9380b2db5c9c34d0117f27b6a24 [0,0,0,0,0,2|2,0,0]=4 733 B13R1.149 C/C(=C\CNc1cc(ccn1)C)/Cl a8be8afa51c17723c7d73aa939a31143 [0,0,0,0,0,2|2,0,0]=4 734 B13R1.149 C/C(=C\CNc1cccc(c1)C)/Cl 6144e13e56834417bd45802f212ea8f7 [0,0,0,0,0,2|2,0,0]=4 735 B13R1.149 C/C(=C\CNc1cccc(n1)C)/Cl 16bacfee8607b0871b68c651c16cc175 [0,0,0,0,0,2|2,0,0]=4 736 B13R1.149 C/C(=C\CNc1nccc(n1)C)/Cl d7568ae48ce825c30b5817b24e34cb4b [0,0,0,0,0,2|2,0,0]=4 737 B13R1.149 C/C(=C\COc1cc(ccn1)C)/Cl c64670ab957b38ec72d4747bac0ed5e1 [0,0,0,0,0,2|2,0,0]=4 738 B13R1.149 C/C(=C\COc1cccc(c1)C)/Cl 5befd80c35aaf9b7e5d5106acf2430be [0,0,0,0,0,2|2,0,0]=4 739 B13R1.149 C/C(=C\COc1cccc(n1)C)/Cl 09899cd82aca8be00062b802bb51c9da [0,0,0,0,0,2|2,0,0]=4 740 B13R1.149 CC(=CCNc1cc(ccn1)Br)C a3148754856c02bc08d6f9f6a3dfd3da [0,0,0,0,0,2|2,0,0]=4 741 B13R1.149 CC(=CCNc1cc(ccn1)C)C ab9aaa8e2062b939f199285145e96dc0 [0,0,0,0,0,2|1,0,0]=3 742 B13R1.149 CC(=CCNc1cc(ccn1)C)Cl f234853bf0e1436e79eaa5d0b6edc013 [0,0,0,0,0,2|2,0,0]=4 743 B13R1.149 CC(=CCNc1cc(ccn1)C)I 7ec19683fbf72b11c556e81067a00b84 [0,0,0,0,0,2|2,0,0]=4 744 B13R1.149 CC(=CCNc1cc(ccn1)Cl)C e061229311a50bae089a5cdeb10a7e46 [0,0,0,0,0,2|2,0,0]=4 745 B13R1.149 CC(=CCNc1cc(ccn1)F)C 729330f9a0e9e4b9a835be6db8ce3ea2 [0,0,0,0,0,2|2,0,0]=4 746 B13R1.149 CC(=CCNc1cc(ccn1)I)C 8f17541928e1b9cb1b07ba6fb2043814 [0,0,0,0,0,2|2,0,0]=4 747 B13R1.149 CC(=CCNc1cc(ccn1)O)C e18d90e1d080c6b676de1448be2e2e49 [0,0,0,0,0,2|2,0,0]=4 748 B13R1.149 CC(=CCNc1cc(cnn1)C)C 0f3e562b8521ab5f5b2a55f389786683 [0,0,0,0,0,2|2,0,0]=4 749 B13R1.149 CC(=CCNc1cc(ncn1)C)C 9fa143e12ebcb2c76fa86f5733c3d327 [0,0,0,0,0,2|2,0,0]=4 750 B13R1.149 CC(=CCNc1cccc(=O)[nH]1)C f08e7d2f040db44e22decb9ee6b5074e [0,0,0,0,0,2|2,0,0]=4 751 B13R1.149 CC(=CCNc1cccc(c1)Br)C bf6bdab0f03bb8fe7ece747dbca9f85c [0,0,0,0,0,2|2,0,0]=4 752 B13R1.149 CC(=CCNc1cccc(c1)C)C e32493186d57e80d618a41966ec16a78 [0,0,0,0,0,2|1,0,0]=3 753 B13R1.149 CC(=CCNc1cccc(c1)C)Cl 5e72043357fe1f62d638324c94e944ec [0,0,0,0,0,2|2,0,0]=4 754 B13R1.149 CC(=CCNc1cccc(c1)C)I 2883556be91afa063395241690d47889 [0,0,0,0,0,2|2,0,0]=4 755 B13R1.149 CC(=CCNc1cccc(c1)Cl)C 2aebca3f3496447ffd095646536843ef [0,0,0,0,0,2|2,0,0]=4 756 B13R1.149 CC(=CCNc1cccc(c1)F)C 24fa97fa18663c5cd4e3593caf8d059d [0,0,0,0,0,2|2,0,0]=4 757 B13R1.149 CC(=CCNc1cccc(c1)I)C 3bc710eca0dbf1eabb7773c66d7d6da4 [0,0,0,0,0,2|2,0,0]=4 758 B13R1.149 CC(=CCNc1cccc(c1)O)C a5ee4141da353ccf46a046025be58d34 [0,0,0,0,0,2|2,0,0]=4 759 B13R1.149 CC(=CCNc1cccc(c1)S)C 481f7ec8d807211a127b75a86b1b65c5 [0,0,0,0,0,2|2,0,0]=4 760 B13R1.149 CC(=CCNc1cccc(n1)Br)C 9040250b779af2601326a39c8519e666 [0,0,0,0,0,2|2,0,0]=4 761 B13R1.149 CC(=CCNc1cccc(n1)C)C 28a30ba90d0b495ada7e347b02bb2def [0,0,0,0,0,2|1,0,0]=3 762 B13R1.149 CC(=CCNc1cccc(n1)C)Cl 69621584df49985cc96f54d57773ca59 [0,0,0,0,0,2|2,0,0]=4 763 B13R1.149 CC(=CCNc1cccc(n1)C)I eba8616a4939aa5a282eea0e20f4fb96 [0,0,0,0,0,2|2,0,0]=4 764 B13R1.149 CC(=CCNc1cccc(n1)Cl)C d24bafa13b364eff73869aca6f542de7 [0,0,0,0,0,2|2,0,0]=4 765 B13R1.149 CC(=CCNc1cccc(n1)F)C 4f62a3922a6db09f91678f7c4c7f31d9 [0,0,0,0,0,2|2,0,0]=4 766 B13R1.149 CC(=CCNc1cccc(n1)I)C 79649c4b1a911f3bf15493942bb0aa60 [0,0,0,0,0,2|2,0,0]=4 767 B13R1.149 CC(=CCNc1ccnc(c1)C)C 8e8225ba220339830d57f67c68ce5a92 [0,0,0,0,0,2|2,0,0]=4 768 B13R1.149 CC(=CCNc1ccnc(n1)C)C 77a6192a5d6330de1743dd55f2e8f606 [0,0,0,0,0,2|2,0,0]=4 769 B13R1.149 CC(=CCNc1cncc(c1)C)C 68e88fa9db9842ab8b18773a351d68a8 [0,0,0,0,0,2|2,0,0]=4 770 B13R1.149 CC(=CCNc1cncc(n1)C)C faaa6c2f583b6b9d0c91a8868d5fddb4 [0,0,0,0,0,2|2,0,0]=4 771 B13R1.149 CC(=CCNc1nccc(=O)[nH]1)C 179c7632aa5f3f2c32e3dbd0ffc76ef1 [0,0,0,0,0,2|2,0,0]=4 772 B13R1.149 CC(=CCNc1nccc(n1)Br)C e790c0aed32beb6277e6ce6ed2cf9f28 [0,0,0,0,0,2|2,0,0]=4 773 B13R1.149 CC(=CCNc1nccc(n1)C)C d3d90933a690b2a5733fe14a0faf2e38 [0,0,0,0,0,2|1,0,0]=3 774 B13R1.149 CC(=CCNc1nccc(n1)C)Cl 2b83792007d3539c2ffafdc082624349 [0,0,0,0,0,2|2,0,0]=4 775 B13R1.149 CC(=CCNc1nccc(n1)C)I 5d33277a8f53d1fef39de05292576a53 [0,0,0,0,0,2|2,0,0]=4 776 B13R1.149 CC(=CCNc1nccc(n1)Cl)C 72e77e52d189e1b70ec2087704370a79 [0,0,0,0,0,2|2,0,0]=4 777 B13R1.149 CC(=CCNc1nccc(n1)F)C 386e6110863c5c765995f5a262527fc1 [0,0,0,0,0,2|2,0,0]=4 778 B13R1.149 CC(=CCNc1nccc(n1)I)C 8edba37c0a277db3e1de2502f52c91ae [0,0,0,0,0,2|2,0,0]=4 779 B13R1.149 CC(=CCNc1nccc(n1)S)C 600a0bf8e96adc5dcc372985ac30b0f1 [0,0,0,0,0,2|2,0,0]=4 780 B13R1.149 CC(=CCOc1cc(ccn1)Br)C 9d55c265b26c289b7716d22e52f3a9d4 [0,0,0,0,0,2|2,0,0]=4 781 B13R1.149 CC(=CCOc1cc(ccn1)C)C 8e8343df19d004b75120e8c29482b59a [0,0,0,0,0,2|1,0,0]=3 782 B13R1.149 CC(=CCOc1cc(ccn1)C)Cl 5938646fc0dbd2779259edbbb490fb87 [0,0,0,0,0,2|2,0,0]=4 783 B13R1.149 CC(=CCOc1cc(ccn1)C)I 3fddf0cd35b73c26ff284b6be297974b [0,0,0,0,0,2|2,0,0]=4 784 B13R1.149 CC(=CCOc1cc(ccn1)Cl)C 40c3a0188f8bf3b9300020bc489019d1 [0,0,0,0,0,2|2,0,0]=4 785 B13R1.149 CC(=CCOc1cc(ccn1)F)C 466844c95554040463cad706b636cd4d [0,0,0,0,0,2|2,0,0]=4 786 B13R1.149 CC(=CCOc1cc(ncn1)C)C 092a64c802729a1528027bd7f60880b2 [0,0,0,0,0,2|2,0,0]=4 787 B13R1.149 CC(=CCOc1cccc(=O)[nH]1)C ebcb1cb05df65a1a128503444711ca05 [0,0,0,0,0,2|2,0,0]=4 788 B13R1.149 CC(=CCOc1cccc(c1)Br)C 7578b2af1cdb3aea5c7124f6ddb0311b [0,0,0,0,0,2|2,0,0]=4 789 B13R1.149 CC(=CCOc1cccc(c1)C)C 0b2bb8bad039fffecef4b8826b5811d8 [0,0,0,0,0,2|1,0,0]=3 790 B13R1.149 CC(=CCOc1cccc(c1)C)Cl 3166faa73fde252b8d35bb9f99005eb9 [0,0,0,0,0,2|2,0,0]=4 791 B13R1.149 CC(=CCOc1cccc(c1)C)I e917a9dd06833157017aa2bc4604dd69 [0,0,0,0,0,2|2,0,0]=4 792 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 5f82795f08b833985e4d4392ae8eefce [0,0,0,0,0,2|2,0,0]=4 793 B13R1.149 CC(=CCOc1cccc(c1)F)C 50e5cc3a9b1605bad2a1cdcfd6a9e9cb [0,0,0,0,0,2|2,0,0]=4 794 B13R1.149 CC(=CCOc1cccc(c1)I)C 02b6cd5ebc4667e298506837bef9ead2 [0,0,0,0,0,2|2,0,0]=4 795 B13R1.149 CC(=CCOc1cccc(c1)S)C ecf2be8361e034144fbdbac57b886a74 [0,0,0,0,0,2|2,0,0]=4 796 B13R1.149 CC(=CCOc1cccc(n1)Br)C b823376405f3e3f5447e148982c70077 [0,0,0,0,0,2|2,0,0]=4 797 B13R1.149 CC(=CCOc1cccc(n1)C)C 41906a50e7f9e52702c05861055c983c [0,0,0,0,0,2|1,0,0]=3 798 B13R1.149 CC(=CCOc1cccc(n1)C)Cl b31b00abb77696968edfb231a4705caf [0,0,0,0,0,2|2,0,0]=4 799 B13R1.149 CC(=CCOc1cccc(n1)C)I 11dfa9ea6d7980936a5d5d72ebc3195c [0,0,0,0,0,2|2,0,0]=4 800 B13R1.149 CC(=CCOc1cccc(n1)F)C f0cb7be142f289851be329032add4b60 [0,0,0,0,0,2|2,0,0]=4 801 B13R1.149 CC(=CCOc1ccnc(c1)C)C d728b6f882ec18a670e3a1629d010b69 [0,0,0,0,0,2|2,0,0]=4 802 B13R1.149 CC(=CCOc1ccnc(n1)C)C be7353431ccaf4e1374aa177b1ac45c2 [0,0,0,0,0,2|2,0,0]=4 803 B13R1.149 CC(=CCOc1cncc(c1)C)C 7364c0fb512aebd9f7c893dc4c19d97b [0,0,0,0,0,2|2,0,0]=4 804 B13R1.149 CC(=CCOc1cncc(n1)C)C e4ff619eed3eafee026ea3ed42a4f43a [0,0,0,0,0,2|2,0,0]=4 805 B13R1.149 CC(=CCOc1nccc(n1)Cl)C 6c1ec37e91148a1e9edc5d799d3bd82a [0,0,0,0,0,2|2,0,0]=4 806 B13R1.149 CC(=CCOc1nccc(n1)S)C 88c71cd435aaf2f6ab86f9781ad42416 [0,0,0,0,0,2|2,0,0]=4 807 B13R1.167 C/C(=C/CNCc1occc1C)/I a72e9440bca89334f89c057fdc02b0ec [0,0,0,0,0,2|1,0,0]=3 808 B13R1.167 C/C(=C/COCc1occc1Br)/I f73d63de701ed488ebd7d8defedbdd7b [0,0,0,0,0,2|2,0,0]=4 809 B13R1.167 C/C(=C/COCc1occc1C)/I bbb7c0baca150a7f01028d207927a6e3 [0,0,0,0,0,2|1,0,0]=3 810 B13R1.167 C/C(=C/COCc1ocnc1C)/I 715c354d3f6e95cdff98bc6485efae7f [0,0,0,0,0,2|2,0,0]=4 811 B13R1.167 C/C(=C/COCc1oncc1C)/I 48a437ad5015093386979bdb342e885e [0,0,0,0,0,2|2,0,0]=4 812 B13R1.167 C/C(=C/COCc1sccc1C)/I 8e9a57efdc50f7e60589ba5c45d087c0 [0,0,0,0,0,2|1,1,0]=4 813 B13R1.167 C/C(=C\CNCc1occc1C)/Cl 17d648e83d50361ef842d4f3d67cbc80 [0,0,0,0,0,2|1,0,0]=3 814 B13R1.167 C/C(=C\COCc1occc1Br)/Cl 616814eac94781fb7424796519d2d10f [0,0,0,0,0,2|2,0,0]=4 815 B13R1.167 C/C(=C\COCc1occc1C)/Cl 335cb1c9fac38de23068f1cb9dabeb6c [0,0,0,0,0,2|1,0,0]=3 816 B13R1.167 C/C(=C\COCc1ocnc1C)/Cl 043df87ffb165229f49adc1c9d812e72 [0,0,0,0,0,2|2,0,0]=4 817 B13R1.167 C/C(=C\COCc1oncc1C)/Cl d161bc90c97689e9f46f84cef10bb00f [0,0,0,0,0,2|2,0,0]=4 818 B13R1.167 C/C(=C\COCc1sccc1C)/Cl 79e7bc5fedfb80059c2ae60f5532680f [0,0,0,0,0,2|1,1,0]=4 819 B13R1.167 C=C(C)CCNCc1occc1C 6d8b9098d82e552491f42ccdf66cb341 [0,0,0,0,0,2|0,0,2]=4 820 B13R1.167 C=C(C)CCOCc1occc1C c9ab12575215a8d255899498de4112ec [0,0,0,0,0,2|0,0,2]=4 821 B13R1.167 CC(=CCCNc1ccsc1C)C 45205cd7d639f1b235099941f2852a2d [0,0,0,0,0,2|2,0,0]=4 822 B13R1.167 CC(=CCCNc1cscc1C)C 3b6281302cfb53c76b61eecbca19d28b [0,0,0,0,0,2|2,0,0]=4 823 B13R1.167 CC(=CCCNc1n[nH]cc1C)C cea2e314d6518f0d501ea736d4310888 [0,0,0,0,0,2|2,0,0]=4 824 B13R1.167 CC(=CCCNc1nccn1C)C a88f9858891d8ed62590be0fd9a3ec14 [0,0,0,0,0,2|2,0,0]=4 825 B13R1.167 CC(=CCCNc1nocc1C)C 885ef623ed6e68df29b75bcd7bf49701 [0,0,0,0,0,2|2,0,0]=4 826 B13R1.167 CC(=CCCNc1oncc1C)C dc2464f18f568a687c8b2c2b60453328 [0,0,0,0,0,2|1,0,0]=3 827 B13R1.167 CC(=CCCNc1scnc1C)C b7393475f11500b3467426c807a5170d [0,0,0,0,0,2|1,1,0]=4 828 B13R1.167 CC(=CCCOc1cccn1C)C 3694d7051d0df2f89e068890a247c14a [0,0,0,0,0,2|2,0,0]=4 829 B13R1.167 CC(=CCCOc1n[nH]cc1C)C 83be037bf2beddaef733c11457fd98fc [0,0,0,0,0,2|2,0,0]=4 830 B13R1.167 CC(=CCNCc1cccn1C)C bb4a044e8efcf890511b2ff1e38aaa0a [0,0,0,0,0,2|2,0,0]=4 831 B13R1.167 CC(=CCNCc1ccoc1C)C 31dc67b19c493a956ad87045062f4203 [0,0,0,0,0,2|2,0,0]=4 832 B13R1.167 CC(=CCNCc1nc[nH]c1C)C 7d1cdd23c28c62bf90a8a78a544bd845 [0,0,0,0,0,2|2,0,0]=4 833 B13R1.167 CC(=CCNCc1nccn1C)C fa3b70cf6fb8dab76d23a60f3cdf1974 [0,0,0,0,0,2|2,0,0]=4 834 B13R1.167 CC(=CCNCc1ncoc1C)C 6ff55d4041acea46b7370c63ba32e38b [0,0,0,0,0,2|2,0,0]=4 835 B13R1.167 CC(=CCNCc1nocc1C)C aa7009de23cac1beeb16959373f65037 [0,0,0,0,0,2|2,0,0]=4 836 B13R1.167 CC(=CCNCc1occc1C)C 792e5b5a74406eef54fdf80dc83f7d29 [0,0,0,0,0,2|0,0,0]=2 837 B13R1.167 CC(=CCNCc1occc1C)Cl e2ccacd45c49bf305803e252916a7a67 [0,0,0,0,0,2|1,0,0]=3 838 B13R1.167 CC(=CCNCc1occc1C)I edbfb51ea228d3dd64b9f709d23c6c47 [0,0,0,0,0,2|1,0,0]=3 839 B13R1.167 CC(=CCNCc1sccc1Br)C a1160a11b10fe7f1f4c8b609b3dce679 [0,0,0,0,0,2|1,1,0]=4 840 B13R1.167 CC(=CCNCc1sccc1Cl)C 504bf37a4922e869622e08883e6ed8a0 [0,0,0,0,0,2|1,1,0]=4 841 B13R1.167 CC(=CCNCc1sccc1F)C f7a8bc4c42c90a9fe16dcbcfc888c76a [0,0,0,0,0,2|1,1,0]=4 842 B13R1.167 CC(=CCNCc1scnc1C)C 04918d24e391bc1331da87c4cd323d90 [0,0,0,0,0,2|1,1,0]=4 843 B13R1.167 CC(=CCOCc1cccn1C)C 7386fd40e322672eb53d64798a4f68ad [0,0,0,0,0,2|2,0,0]=4 844 B13R1.167 CC(=CCOCc1ccoc1C)C 8abe5751a477241ad5eaac80683426f7 [0,0,0,0,0,2|2,0,0]=4 845 B13R1.167 CC(=CCOCc1cscc1C)C 87299b7c84916cd11e7f42f3d3daad6a [0,0,0,0,0,2|2,0,0]=4 846 B13R1.167 CC(=CCOCc1n[nH]cc1C)C da1c334baf5c1bd9714e972fb647d1d3 [0,0,0,0,0,2|2,0,0]=4 847 B13R1.167 CC(=CCOCc1nc[nH]c1C)C 411e70af183a04b9c724ed86ff3b7580 [0,0,0,0,0,2|2,0,0]=4 848 B13R1.167 CC(=CCOCc1nccn1C)C d11aedfc9f2b3dbf6d083822361c90ba [0,0,0,0,0,2|2,0,0]=4 849 B13R1.167 CC(=CCOCc1ncoc1C)C 9954ef99a4a267fdf33bfd057d9a1225 [0,0,0,0,0,2|2,0,0]=4 850 B13R1.167 CC(=CCOCc1ncsc1C)C 37670694d32acf596b238353b7f4a1b3 [0,0,0,0,0,2|2,0,0]=4 851 B13R1.167 CC(=CCOCc1nocc1C)C 6924995e22852a489310879d868a07ae [0,0,0,0,0,2|2,0,0]=4 852 B13R1.167 CC(=CCOCc1occc1Br)C 884879ecc1b7388300c4d595cb84241a [0,0,0,0,0,2|1,0,0]=3 853 B13R1.167 CC(=CCOCc1occc1Br)Cl 7d4254e7cda7cdfa6c1fe873bd120739 [0,0,0,0,0,2|2,0,0]=4 854 B13R1.167 CC(=CCOCc1occc1Br)I c49fbc7c66b6fe9c6d445fe64aea5a63 [0,0,0,0,0,2|2,0,0]=4 855 B13R1.167 CC(=CCOCc1occc1C)C 12d7433dd4bda2c5c7fb708fe92fa060 [0,0,0,0,0,2|0,0,0]=2 856 B13R1.167 CC(=CCOCc1occc1C)Cl 39ba980337e391955c9418a749798abf [0,0,0,0,0,2|1,0,0]=3 857 B13R1.167 CC(=CCOCc1occc1C)I 49fb855b5376f812d0889738a46fb893 [0,0,0,0,0,2|1,0,0]=3 858 B13R1.167 CC(=CCOCc1ocnc1C)C 37ab5445491ffbc5de19657a22589088 [0,0,0,0,0,2|1,0,0]=3 859 B13R1.167 CC(=CCOCc1ocnc1C)Cl 16b96fd00f4e33441e5d6f1d4ff7d473 [0,0,0,0,0,2|2,0,0]=4 860 B13R1.167 CC(=CCOCc1ocnc1C)I 4b995d6d75b9601597d4b134eae4d178 [0,0,0,0,0,2|2,0,0]=4 861 B13R1.167 CC(=CCOCc1oncc1C)C 81e4b190a53a2854fb055bb4cfc66935 [0,0,0,0,0,2|1,0,0]=3 862 B13R1.167 CC(=CCOCc1oncc1C)Cl 6bdb591ffa9b600fac69e5e74526a0dc [0,0,0,0,0,2|2,0,0]=4 863 B13R1.167 CC(=CCOCc1oncc1C)I 98c15f094c766b239758330854799d0b [0,0,0,0,0,2|2,0,0]=4 864 B13R1.167 CC(=CCOCc1sccc1Br)C 9307edc62ce779986f071b20845ce8c3 [0,0,0,0,0,2|1,1,0]=4 865 B13R1.167 CC(=CCOCc1sccc1C)C 00ee2b761d164ed10bb6943fb84fb983 [0,0,0,0,0,2|0,1,0]=3 866 B13R1.167 CC(=CCOCc1sccc1C)Cl d9cfcdbad57c66aaa50c7b64ac1abf80 [0,0,0,0,0,2|1,1,0]=4 867 B13R1.167 CC(=CCOCc1sccc1C)I 0be605f8300e4ad4668a495deb41cb02 [0,0,0,0,0,2|1,1,0]=4 868 B13R1.167 CC(=CCOCc1sccc1Cl)C 5dd0c80750b11b9cd03985aa3a6fb0b3 [0,0,0,0,0,2|1,1,0]=4 869 B13R1.167 CC(=CCOCc1sccc1F)C 433f94fc55e438d28b2ced0fe8360851 [0,0,0,0,0,2|1,1,0]=4 870 B13R1.167 CC(=CCOCc1scnc1C)C 85624e79491767de6d96cd2aec04d0c4 [0,0,0,0,0,2|1,1,0]=4 871 B13R1.167 CC(=O)CCNCc1occc1C 98f1299e7a44d145dcbfc46051a5def8 [0,0,0,0,0,2|1,0,1]=4 872 B13R1.167 CC(=O)CCOCc1occc1C 839565179c795171f4ae51615f13c9e1 [0,0,0,0,0,2|1,0,1]=4 873 B13R1.167 CC(=O)OCNCc1occc1C 15e5ae36bb28cf171248c28e7c6a8dd2 [0,0,0,0,0,2|1,0,1]=4 874 B13R1.167 CC(=O)OCOCc1occc1C 8248e0efa6dba838909e9bea8523a70c [0,0,0,0,0,2|1,0,1]=4 875 B13R1.167 Cc1ccoc1CNCC=C(Cl)Cl 6ae62124450a1b51861ac449d0de9d61 [0,0,0,0,0,2|2,0,0]=4 876 B13R1.167 Cc1ccoc1CNCCC(C)C 16966a0d43e4b966337a9821a72cf5f5 [0,0,0,0,0,2|0,0,2]=4 877 B13R1.167 Cc1ccoc1CNCCN(C)C 2b975188ec7a65522260c259d9710479 [0,0,0,0,0,2|1,0,1]=4 878 B13R1.167 Cc1ccoc1CNCOC(C)C 82ae11d2ec9ba01bb3d27e80f4761d80 [0,0,0,0,0,2|0,0,2]=4 879 B13R1.167 Cc1ccoc1COCC=C(Cl)Cl 3ea248edcd05c9f210ff6cd4ff52bc3f [0,0,0,0,0,2|2,0,0]=4 880 B13R1.167 Cc1ccoc1COCCC(C)C 7fe2cd12b084a89485399d123eecb1ca [0,0,0,0,0,2|0,0,2]=4 881 B13R1.167 Cc1ccoc1COCCN(C)C 49df0d34a48d146b8e21350296d83d86 [0,0,0,0,0,2|1,0,1]=4 882 B13R1.167 Cc1ccoc1COCOC(C)C 86000651c8c7eb4a3ad3cbdd1ffff791 [0,0,0,0,0,2|0,0,2]=4 883 B13R1.167 Cc1cnoc1NC/C=C/C(C)C 67a17e139ad81c6dd09815467a399232 [0,0,0,0,0,2|1,0,1]=4