0 B15R2.68122 CC(=Cc1cccc2c1cccc2)C 271570a_100102525489_100000210605 [0,0,0,0,0,0|2,0,1]=3 1 B15R2.68122 CC(=Cc1cccc2c1cccn2)C 271570a_100102525489_100011290932 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.68122 CC(=Cc1cccc2c1ccnc2)C 271570a_100102525489_100000186358 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.68122 CC(=Cc1cccc2c1cncc2)C 271570a_100102525489_100000685578 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.68122 CC(=Cc1cccc2c1nccc2)C 271570a_100102525489_100011215545 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.68122 CC(=Cc1ccnc2c1cccc2)C 271570a_100102525489_100011215880 [0,0,0,0,0,0|3,0,1]=4 6 B15R2.68122 CC(=Cc1cncc2c1cccc2)C 271570a_100102525489_100000187577 [0,0,0,0,0,0|3,0,1]=4 7 B15R2.68122 CC(=Cc1nccc2c1cccc2)C 271570a_100102525489_100011934041 [0,0,0,0,0,0|3,0,1]=4 8 B15R2.68122 CC(=O)Cc1cccc2c1cccc2 1458a_100000070787_100000188474 [0,0,0,0,0,0|1,0,0]=1 9 B15R2.68122 CC(=O)Cc1cccc2c1cccc2 1458a_100000186155_200000210301 [0,0,0,0,0,0|1,0,0]=1 10 B15R2.68122 CC(=O)Cc1cccc2c1ccnc2 1458a_100000070787_100016989825 [0,0,0,0,0,0|2,0,0]=2 11 B15R2.68122 CC(=O)Cc1cccc2c1nccc2 1458a_100000070787_100000241032 [0,0,0,0,0,0|2,0,0]=2 12 B15R2.68122 CC(=O)Cc1ccnc2c1cccc2 1458a_100000070787_100015192512 [0,0,0,0,0,0|2,0,0]=2 13 B15R2.68122 CC(=O)Cc1nccc2c1cccc2 1458a_100000070787_100000033776 [0,0,0,0,0,0|2,0,0]=2 14 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 11a_100000185869_100015343762 [0,0,0,0,0,0|2,0,0]=2 15 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100015343762 [0,0,0,0,0,0|2,0,0]=2 16 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000070787 [0,0,0,0,0,0|2,0,0]=2 17 B15R2.68122 CC(=O)Nc1cccc2c1cccn2 11a_100000183906_100015343762 [0,0,0,0,0,0|3,0,0]=3 18 B15R2.68122 CC(=O)Nc1cccc2c1cccn2 1626a_100000183906_100015343762 [0,0,0,0,0,0|3,0,0]=3 19 B15R2.68122 CC(=O)Nc1cccc2c1cccn2 22a_100000183906_100000070787 [0,0,0,0,0,0|3,0,0]=3 20 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 11a_100000210097_100015343762 [0,0,0,0,0,0|3,0,0]=3 21 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 1626a_100000210097_100015343762 [0,0,0,0,0,0|3,0,0]=3 22 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 22a_100000210097_100000070787 [0,0,0,0,0,0|3,0,0]=3 23 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 527a_100000210097_100103153847 [0,0,0,0,0,0|3,0,0]=3 24 B15R2.68122 CC(=O)Nc1cccc2c1cncc2 11a_100000065885_100015343762 [0,0,0,0,0,0|3,0,0]=3 25 B15R2.68122 CC(=O)Nc1cccc2c1cncc2 1626a_100000065885_100015343762 [0,0,0,0,0,0|3,0,0]=3 26 B15R2.68122 CC(=O)Nc1cccc2c1cncc2 22a_100000065885_100000070787 [0,0,0,0,0,0|3,0,0]=3 27 B15R2.68122 CC(=O)Nc1cccc2c1cncc2 527a_100000065885_100103153847 [0,0,0,0,0,0|3,0,0]=3 28 B15R2.68122 CC(=O)Nc1cccc2c1cnnc2 11a_100000087653_100015343762 [0,0,0,0,0,0|4,0,0]=4 29 B15R2.68122 CC(=O)Nc1cccc2c1cnnc2 1626a_100000087653_100015343762 [0,0,0,0,0,0|4,0,0]=4 30 B15R2.68122 CC(=O)Nc1cccc2c1cnnc2 22a_100000087653_100000070787 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.68122 CC(=O)Nc1cccc2c1cnnc2 527a_100000087653_100103153847 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 11a_100000181377_100015343762 [0,0,0,0,0,0|3,0,0]=3 33 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 1626a_100000181377_100015343762 [0,0,0,0,0,0|3,0,0]=3 34 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 22a_100000181377_100000070787 [0,0,0,0,0,0|3,0,0]=3 35 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 527a_100000181377_100103153847 [0,0,0,0,0,0|3,0,0]=3 36 B15R2.68122 CC(=O)Nc1cccc2c1nccn2 11a_100011996443_100015343762 [0,0,0,0,0,0|4,0,0]=4 37 B15R2.68122 CC(=O)Nc1cccc2c1nccn2 1626a_100011996443_100015343762 [0,0,0,0,0,0|4,0,0]=4 38 B15R2.68122 CC(=O)Nc1cccc2c1nccn2 22a_100011996443_100000070787 [0,0,0,0,0,0|4,0,0]=4 39 B15R2.68122 CC(=O)Nc1cccc2c1nccn2 527a_100011996443_100103153847 [0,0,0,0,0,0|4,0,0]=4 40 B15R2.68122 CC(C)Nc1cccc2c1cccc2 34a_100000185869_100000210206 [0,0,0,0,0,0|3,0,1]=4 41 B15R2.68122 CC(C)Oc1cccc2c1cccc2 34a_100000210388_100000210206 [0,0,0,0,0,0|3,0,1]=4 42 B15R2.68122 CC(C)Oc1cccc2c1cccc2 7a_100000210388_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B15R2.68122 CC(C)Sc1cccc2c1cccc2 62a_100000210206_100000210605 [0,0,0,0,0,0|3,0,1]=4 44 B15R2.68122 CN(C)Cc1cccc2c1cccc2 2230a_100000741213_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B15R2.68122 CN(C)Cc1cccc2c1cccc2 2230a_100102631434_100011261445 [0,0,0,0,0,0|3,0,0]=3 46 B15R2.68122 CN(C)Cc1cccc2c1cccc2 269982a_100000741213_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B15R2.68122 CN(C)Cc1cccc2c1cccc2 269982a_100102631434_100000188474 [0,0,0,0,0,0|3,0,0]=3 48 B15R2.68122 CN(C)Cc1cccc2c1cccc2 270004a_100102631434_100000210074 [0,0,0,0,0,0|3,0,0]=3 49 B15R2.68122 CN(C)Cc1cccc2c1cccn2 2230a_100011647598_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B15R2.68122 CN(C)Cc1cccc2c1cccn2 269982a_100011647598_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B15R2.68122 CN(C)Cc1cccc2c1cccn2 270004a_100102631434_100000708479 [0,0,0,0,0,0|4,0,0]=4 52 B15R2.68122 CN(C)Cc1cccc2c1ccnc2 2230a_100011757366_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B15R2.68122 CN(C)Cc1cccc2c1ccnc2 2230a_100102631434_100016989825 [0,0,0,0,0,0|4,0,0]=4 54 B15R2.68122 CN(C)Cc1cccc2c1ccnc2 269982a_100011757366_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B15R2.68122 CN(C)Cc1cccc2c1ccnc2 269982a_100102631434_100016989825 [0,0,0,0,0,0|4,0,0]=4 56 B15R2.68122 CN(C)Cc1cccc2c1ccnc2 270004a_100102631434_100000750165 [0,0,0,0,0,0|4,0,0]=4 57 B15R2.68122 CN(C)Cc1cccc2c1cncc2 270004a_100102631434_100011934574 [0,0,0,0,0,0|4,0,0]=4 58 B15R2.68122 CN(C)Cc1cccc2c1nccc2 2230a_100102631434_100000241032 [0,0,0,0,0,0|4,0,0]=4 59 B15R2.68122 CN(C)Cc1cccc2c1nccc2 2230a_102515433035_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B15R2.68122 CN(C)Cc1cccc2c1nccc2 269982a_100102631434_100000241032 [0,0,0,0,0,0|4,0,0]=4 61 B15R2.68122 CN(C)Cc1cccc2c1nccc2 269982a_102515433035_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B15R2.68122 CN(C)Cc1cccc2c1nccc2 270004a_100102631434_100000239888 [0,0,0,0,0,0|4,0,0]=4 63 B15R2.68122 CN(C)Cc1ccnc2c1cccc2 2230a_100011649695_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B15R2.68122 CN(C)Cc1ccnc2c1cccc2 2230a_100102631434_100015192512 [0,0,0,0,0,0|4,0,0]=4 65 B15R2.68122 CN(C)Cc1ccnc2c1cccc2 269982a_100011649695_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B15R2.68122 CN(C)Cc1ccnc2c1cccc2 269982a_100102631434_100015192512 [0,0,0,0,0,0|4,0,0]=4 67 B15R2.68122 CN(C)Cc1cncc2c1cccc2 2230a_114948179032_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B15R2.68122 CN(C)Cc1cncc2c1cccc2 269982a_114948179032_200000210301 [0,0,0,0,0,0|4,0,0]=4 69 B15R2.68122 CN(C)Cc1cncc2c1cccc2 270004a_100102631434_100000684730 [0,0,0,0,0,0|4,0,0]=4 70 B15R2.68122 CN(C)Cc1nccc2c1cccc2 2230a_100102631434_100000033776 [0,0,0,0,0,0|4,0,0]=4 71 B15R2.68122 CN(C)Cc1nccc2c1cccc2 270004a_100102631434_100011361464 [0,0,0,0,0,0|4,0,0]=4 72 B15R2.68122 CN([13CH3])Cc1cccc2c1cccc2 2230a_100000741213_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B15R2.68122 CN([13CH3])Cc1cccc2c1cccc2 269982a_100000741213_200025704644 [0,0,0,0,0,0|3,0,0]=3 74 B15R2.68122 CN([13CH3])Cc1cccc2c1cccn2 2230a_100011647598_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B15R2.68122 CN([13CH3])Cc1cccc2c1cccn2 269982a_100011647598_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B15R2.68122 CN([13CH3])Cc1cccc2c1ccnc2 2230a_100011757366_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B15R2.68122 CN([13CH3])Cc1cccc2c1ccnc2 269982a_100011757366_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B15R2.68122 CN([13CH3])Cc1cccc2c1nccc2 2230a_102515433035_200025704644 [0,0,0,0,0,0|4,0,0]=4 79 B15R2.68122 CN([13CH3])Cc1cccc2c1nccc2 269982a_102515433035_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B15R2.68122 CN([13CH3])Cc1ccnc2c1cccc2 2230a_100011649695_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B15R2.68122 CN([13CH3])Cc1ccnc2c1cccc2 269982a_100011649695_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B15R2.68122 CN([13CH3])Cc1cncc2c1cccc2 2230a_114948179032_200025704644 [0,0,0,0,0,0|4,0,0]=4 83 B15R2.68122 CN([13CH3])Cc1cncc2c1cccc2 269982a_114948179032_200025704644 [0,0,0,0,0,0|4,0,0]=4 84 B15R2.68122 [13CH3]C(=O)Cc1cccc2c1cccc2 1458a_100000186155_200025704644 [0,0,0,0,0,0|1,0,0]=1 85 B14R2.7150 C=C=Cc1cccc2c1cccc2 271570a_100015277604_100000210605 [1,0,0,0,0,0|1,0,2]=4 86 B14R2.7150 CC=Cc1cccc2c1cccc2 271570a_100016259895_100000210605 [1,0,0,0,0,0|1,0,1]=3 87 B14R2.7150 CC=Cc1cccc2c1cccn2 271570a_100016259895_100011290932 [1,0,0,0,0,0|2,0,1]=4 88 B14R2.7150 CC=Cc1cccc2c1ccnc2 271570a_100016259895_100000186358 [1,0,0,0,0,0|2,0,1]=4 89 B14R2.7150 CC=Cc1cccc2c1cncc2 271570a_100016259895_100000685578 [1,0,0,0,0,0|2,0,1]=4 90 B14R2.7150 CC=Cc1cccc2c1nccc2 271570a_100016259895_100011215545 [1,0,0,0,0,0|2,0,1]=4 91 B14R2.7150 CC=Cc1ccnc2c1cccc2 271570a_100016259895_100011215880 [1,0,0,0,0,0|2,0,1]=4 92 B14R2.7150 CC=Cc1cncc2c1cccc2 271570a_100016259895_100000187577 [1,0,0,0,0,0|2,0,1]=4 93 B14R2.7150 CC=Cc1nccc2c1cccc2 271570a_100016259895_100011934041 [1,0,0,0,0,0|2,0,1]=4 94 B14R2.7150 CCNc1cccc2c1cccc2 34a_100000185869_100000210202 [1,0,0,0,0,0|2,0,1]=4 95 B14R2.7150 CCOc1cccc2c1cccc2 34a_100000210388_100000210202 [1,0,0,0,0,0|2,0,1]=4 96 B14R2.7150 CCOc1cccc2c1cccc2 7a_100000210388_100000210202 [1,0,0,0,0,0|2,0,1]=4 97 B14R2.7150 CCSc1cccc2c1cccc2 62a_100000210202_100000210605 [1,0,0,0,0,0|2,0,1]=4 98 B14R2.7150 CNCc1cccc2c1cccc2 207a_100102657272_100000210074 [1,0,0,0,0,0|2,0,0]=3 99 B14R2.7150 CNCc1cccc2c1cccc2 2230a_106832991635_100011261445 [1,0,0,0,0,0|2,0,0]=3 100 B14R2.7150 CNCc1cccc2c1cccc2 270004a_106832991635_100000210074 [1,0,0,0,0,0|2,0,0]=3 101 B14R2.7150 CNCc1cccc2c1cccc2 34a_100000753325_200000210301 [1,0,0,0,0,0|2,0,0]=3 102 B14R2.7150 CNCc1cccc2c1cccc2 34a_100102657272_100011261445 [1,0,0,0,0,0|2,0,0]=3 103 B14R2.7150 CNCc1cccc2c1cccc2 7a_106832991635_100011261445 [1,0,0,0,0,0|2,0,0]=3 104 B14R2.7150 CNCc1cccc2c1cccn2 207a_100102657272_100000708479 [1,0,0,0,0,0|3,0,0]=4 105 B14R2.7150 CNCc1cccc2c1cccn2 270004a_106832991635_100000708479 [1,0,0,0,0,0|3,0,0]=4 106 B14R2.7150 CNCc1cccc2c1ccnc2 207a_100102657272_100000750165 [1,0,0,0,0,0|3,0,0]=4 107 B14R2.7150 CNCc1cccc2c1ccnc2 2230a_106832991635_100016989825 [1,0,0,0,0,0|3,0,0]=4 108 B14R2.7150 CNCc1cccc2c1ccnc2 270004a_106832991635_100000750165 [1,0,0,0,0,0|3,0,0]=4 109 B14R2.7150 CNCc1cccc2c1ccnc2 34a_100102657272_100016989825 [1,0,0,0,0,0|3,0,0]=4 110 B14R2.7150 CNCc1cccc2c1ccnc2 7a_106832991635_100016989825 [1,0,0,0,0,0|3,0,0]=4 111 B14R2.7150 CNCc1cccc2c1cncc2 207a_100102657272_100011934574 [1,0,0,0,0,0|3,0,0]=4 112 B14R2.7150 CNCc1cccc2c1cncc2 270004a_106832991635_100011934574 [1,0,0,0,0,0|3,0,0]=4 113 B14R2.7150 CNCc1cccc2c1nccc2 207a_100102657272_100000239888 [1,0,0,0,0,0|3,0,0]=4 114 B14R2.7150 CNCc1cccc2c1nccc2 2230a_106832991635_100000241032 [1,0,0,0,0,0|3,0,0]=4 115 B14R2.7150 CNCc1cccc2c1nccc2 270004a_106832991635_100000239888 [1,0,0,0,0,0|3,0,0]=4 116 B14R2.7150 CNCc1cccc2c1nccc2 34a_100102657272_100000241032 [1,0,0,0,0,0|3,0,0]=4 117 B14R2.7150 CNCc1cccc2c1nccc2 7a_106832991635_100000241032 [1,0,0,0,0,0|3,0,0]=4 118 B14R2.7150 CNCc1ccnc2c1cccc2 2230a_106832991635_100015192512 [1,0,0,0,0,0|3,0,0]=4 119 B14R2.7150 CNCc1ccnc2c1cccc2 34a_100102657272_100015192512 [1,0,0,0,0,0|3,0,0]=4 120 B14R2.7150 CNCc1ccnc2c1cccc2 7a_106832991635_100015192512 [1,0,0,0,0,0|3,0,0]=4 121 B14R2.7150 CNCc1cncc2c1cccc2 207a_100102657272_100000684730 [1,0,0,0,0,0|3,0,0]=4 122 B14R2.7150 CNCc1cncc2c1cccc2 270004a_106832991635_100000684730 [1,0,0,0,0,0|3,0,0]=4 123 B14R2.7150 CNCc1nccc2c1cccc2 207a_100102657272_100011361464 [1,0,0,0,0,0|3,0,0]=4 124 B14R2.7150 CNCc1nccc2c1cccc2 2230a_106832991635_100000033776 [1,0,0,0,0,0|3,0,0]=4 125 B14R2.7150 CNCc1nccc2c1cccc2 270004a_106832991635_100011361464 [1,0,0,0,0,0|3,0,0]=4 126 B14R2.7150 CNCc1nccc2c1cccc2 34a_100102657272_100000033776 [1,0,0,0,0,0|3,0,0]=4 127 B14R2.7150 CNCc1nccc2c1cccc2 7a_106832991635_100000033776 [1,0,0,0,0,0|3,0,0]=4 128 B14R2.7150 COCc1cccc2c1cccc2 34a_100011216843_200000210301 [1,0,0,0,0,0|2,0,0]=3 129 B14R2.7150 COCc1cccc2c1cccc2 34a_100138415774_100011261445 [1,0,0,0,0,0|2,0,0]=3 130 B14R2.7150 COCc1cccc2c1cccc2 7a_100011216843_200000210301 [1,0,0,0,0,0|2,0,0]=3 131 B14R2.7150 COCc1cccc2c1cccn2 34a_100000709871_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B14R2.7150 COCc1cccc2c1ccnc2 34a_100138415774_100016989825 [1,0,0,0,0,0|3,0,0]=4 133 B14R2.7150 COCc1cccc2c1nccc2 34a_100011303629_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B14R2.7150 COCc1cccc2c1nccc2 34a_100138415774_100000241032 [1,0,0,0,0,0|3,0,0]=4 135 B14R2.7150 COCc1ccnc2c1cccc2 34a_100138415774_100015192512 [1,0,0,0,0,0|3,0,0]=4 136 B14R2.7150 COCc1nccc2c1cccc2 34a_100138415774_100000033776 [1,0,0,0,0,0|3,0,0]=4 137 B14R2.7150 CSCc1cccc2c1cccc2 62a_100011261445_200000210301 [1,0,0,0,0,0|2,0,0]=3 138 B14R2.7150 CSCc1cccc2c1cccc2 62a_200000210301_100000188474 [1,0,0,0,0,0|2,0,0]=3 139 B14R2.7150 CSCc1cccc2c1ccnc2 62a_100016989825_200000210301 [1,0,0,0,0,0|3,0,0]=4 140 B14R2.7150 CSCc1cccc2c1ccnc2 62a_200000210301_100016989825 [1,0,0,0,0,0|3,0,0]=4 141 B14R2.7150 CSCc1cccc2c1nccc2 62a_200000210301_100000241032 [1,0,0,0,0,0|3,0,0]=4 142 B14R2.7150 CSCc1ccnc2c1cccc2 62a_100015192512_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B14R2.7150 CSCc1ccnc2c1cccc2 62a_200000210301_100015192512 [1,0,0,0,0,0|3,0,0]=4 144 B14R2.7150 CSCc1nccc2c1cccc2 62a_100000033776_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B14R2.7150 CSCc1nccc2c1cccc2 62a_200000210301_100000033776 [1,0,0,0,0,0|3,0,0]=4 146 B14R2.7150 FCNc1cccc2c1cccc2 34a_100000185869_100015361967 [1,0,0,0,0,0|2,0,1]=4 147 B14R2.7150 FCOc1cccc2c1cccc2 34a_100000210388_100015361967 [1,0,0,0,0,0|2,0,1]=4 148 B14R2.7150 FCOc1cccc2c1cccc2 7a_100000210388_100015361967 [1,0,0,0,0,0|2,0,1]=4 149 B14R2.7150 FCSc1cccc2c1cccc2 62a_100015361967_100000210605 [1,0,0,0,0,0|2,0,1]=4 150 B14R2.7150 [13CH3]NCc1cccc2c1cccc2 34a_100000753325_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 34a_100011216843_200025704644 [1,0,0,0,0,0|2,0,0]=3 152 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 7a_100011216843_200025704644 [1,0,0,0,0,0|2,0,0]=3 153 B14R2.7150 [13CH3]OCc1cccc2c1cccn2 34a_100000709871_200025704644 [1,0,0,0,0,0|3,0,0]=4 154 B14R2.7150 [13CH3]OCc1cccc2c1nccc2 34a_100011303629_200025704644 [1,0,0,0,0,0|3,0,0]=4 155 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_100011261445_200025704644 [1,0,0,0,0,0|2,0,0]=3 156 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_200025704644_100000188474 [1,0,0,0,0,0|2,0,0]=3 157 B14R2.7150 [13CH3]SCc1cccc2c1ccnc2 62a_100016989825_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B14R2.7150 [13CH3]SCc1cccc2c1ccnc2 62a_200025704644_100016989825 [1,0,0,0,0,0|3,0,0]=4 159 B14R2.7150 [13CH3]SCc1cccc2c1nccc2 62a_200025704644_100000241032 [1,0,0,0,0,0|3,0,0]=4 160 B14R2.7150 [13CH3]SCc1ccnc2c1cccc2 62a_100015192512_200025704644 [1,0,0,0,0,0|3,0,0]=4 161 B14R2.7150 [13CH3]SCc1ccnc2c1cccc2 62a_200025704644_100015192512 [1,0,0,0,0,0|3,0,0]=4 162 B14R2.7150 [13CH3]SCc1nccc2c1cccc2 62a_100000033776_200025704644 [1,0,0,0,0,0|3,0,0]=4 163 B14R2.7150 [13CH3]SCc1nccc2c1cccc2 62a_200025704644_100000033776 [1,0,0,0,0,0|3,0,0]=4 164 B16R2.333 CC(=Cc1c(ccc2c1cccc2)C)C 271570a_100102525489_100000759710 [0,1,0,0,0,0|2,0,1]=4 165 B16R2.333 CC(=Cc1c(ccc2c1cccc2)N)C 271570a_100102525489_100000705303 [0,1,0,0,0,0|2,0,1]=4 166 B16R2.333 CC(=Cc1c(ccc2c1cccc2)O)C 271570a_100102525489_100000183829 [0,1,0,0,0,0|2,0,1]=4 167 B16R2.333 CC(=O)Cc1c(ccc2c1cccc2)C 1458a_100000070787_100000689653 [0,1,0,0,0,0|1,0,0]=2 168 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)Br 11a_100009817101_100015343762 [0,1,0,0,0,0|2,0,0]=3 169 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)Br 1626a_100009817101_100015343762 [0,1,0,0,0,0|2,0,0]=3 170 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)C 11a_100000688109_100015343762 [0,1,0,0,0,0|2,0,0]=3 171 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)C 1626a_100000688109_100015343762 [0,1,0,0,0,0|2,0,0]=3 172 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)C 22a_100000688109_100000070787 [0,1,0,0,0,0|2,0,0]=3 173 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)Cl 11a_200009860907_100015343762 [0,1,0,0,0,0|2,0,0]=3 174 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)Cl 1626a_200009860907_100015343762 [0,1,0,0,0,0|2,0,0]=3 175 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)O 22a_100000007056_100000070787 [0,1,0,0,0,0|2,0,0]=3 176 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)O 527a_100000007056_100103153847 [0,1,0,0,0,0|2,0,0]=3 177 B16R2.333 CC(=O)Nc1c(ccc2c1cccn2)Br 11a_200010235790_100015343762 [0,1,0,0,0,0|3,0,0]=4 178 B16R2.333 CC(=O)Nc1c(ccc2c1cccn2)Br 1626a_200010235790_100015343762 [0,1,0,0,0,0|3,0,0]=4 179 B16R2.333 CC(=O)Nc1c(ccc2c1cccn2)C 11a_100011933972_100015343762 [0,1,0,0,0,0|3,0,0]=4 180 B16R2.333 CC(=O)Nc1c(ccc2c1cccn2)C 1626a_100011933972_100015343762 [0,1,0,0,0,0|3,0,0]=4 181 B16R2.333 CC(=O)Nc1c(ccc2c1cccn2)C 22a_100011933972_100000070787 [0,1,0,0,0,0|3,0,0]=4 182 B16R2.333 CC(=O)Nc1c(ccc2c1cccn2)Cl 11a_100000079745_100015343762 [0,1,0,0,0,0|3,0,0]=4 183 B16R2.333 CC(=O)Nc1c(ccc2c1cccn2)Cl 1626a_100000079745_100015343762 [0,1,0,0,0,0|3,0,0]=4 184 B16R2.333 CC(=O)Nc1c(ccc2c1ccnc2)Br 11a_100010191621_100015343762 [0,1,0,0,0,0|3,0,0]=4 185 B16R2.333 CC(=O)Nc1c(ccc2c1ccnc2)Br 1626a_100010191621_100015343762 [0,1,0,0,0,0|3,0,0]=4 186 B16R2.333 CC(=O)Nc1c(ccc2c1nccc2)C 11a_100000065890_100015343762 [0,1,0,0,0,0|3,0,0]=4 187 B16R2.333 CC(=O)Nc1c(ccc2c1nccc2)C 1626a_100000065890_100015343762 [0,1,0,0,0,0|3,0,0]=4 188 B16R2.333 CC(=O)Nc1c(ccc2c1nccc2)C 22a_100000065890_100000070787 [0,1,0,0,0,0|3,0,0]=4 189 B16R2.333 CN(C)Cc1c(ccc2c1cccc2)Br 270004a_100102631434_100010090029 [0,1,0,0,0,0|3,0,0]=4 190 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 2230a_100102631434_100000689653 [0,1,0,0,0,0|3,0,0]=4 191 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 269982a_100102631434_100000689653 [0,1,0,0,0,0|3,0,0]=4 192 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 270004a_100102631434_100011361466 [0,1,0,0,0,0|3,0,0]=4 193 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)Br 11a_100010090037_100015343762 [0,1,0,0,0,0|2,0,0]=3 194 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)Br 1626a_100010090037_100015343762 [0,1,0,0,0,0|2,0,0]=3 195 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)Br 22a_100010090037_100000070787 [0,1,0,0,0,0|2,0,0]=3 196 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)O 1626a_100000034668_100015343762 [0,1,0,0,0,0|2,0,0]=3 197 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)O 22a_100000034668_100000070787 [0,1,0,0,0,0|2,0,0]=3 198 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)O 527a_100000034668_100103153847 [0,1,0,0,0,0|2,0,0]=3 199 B16R2.2986 CC(=O)Nc1cccc2c1ccc(n2)C 11a_106741707140_100015343762 [0,1,0,0,0,0|3,0,0]=4 200 B16R2.2986 CC(=O)Nc1cccc2c1ccc(n2)C 1626a_106741707140_100015343762 [0,1,0,0,0,0|3,0,0]=4 201 B16R2.2986 CC(=O)Nc1cccc2c1ccc(n2)C 22a_106741707140_100000070787 [0,1,0,0,0,0|3,0,0]=4 202 B16R2.2986 CC(=O)Nc1cccc2c1ncc(c2)Br 11a_100000702407_100015343762 [0,1,0,0,0,0|3,0,0]=4 203 B16R2.2986 CC(=O)Nc1cccc2c1ncc(c2)Br 1626a_100000702407_100015343762 [0,1,0,0,0,0|3,0,0]=4 204 B16R2.2986 CC(=O)Nc1cccc2c1ncc(c2)Br 22a_100000702407_100000070787 [0,1,0,0,0,0|3,0,0]=4 205 B16R2.2986 CC(=O)Nc1cccc2c1ncc(c2)Br 527a_100000702407_100103153847 [0,1,0,0,0,0|3,0,0]=4 206 B16R2.2986 CC(=O)Nc1cccc2c1ncc(c2)I 11a_100010214492_100015343762 [0,1,0,0,0,0|3,0,0]=4 207 B16R2.2986 CC(=O)Nc1cccc2c1ncc(c2)I 1626a_100010214492_100015343762 [0,1,0,0,0,0|3,0,0]=4 208 B16R2.2986 CC(=O)Nc1cccc2c1ncc(c2)I 22a_100010214492_100000070787 [0,1,0,0,0,0|3,0,0]=4 209 B16R2.2986 CC(=O)Nc1cccc2c1ncc(c2)I 527a_100010214492_100103153847 [0,1,0,0,0,0|3,0,0]=4 210 B16R2.3995 CC(=Cc1cc(cc2c1cccc2)N)C 271570a_100102525489_100010089974 [0,1,0,0,0,0|2,0,1]=4 211 B16R2.3995 CC(=Cc1cc(cc2c1cccc2)O)C 271570a_100102525489_100010001680 [0,1,0,0,0,0|2,0,1]=4 212 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)C 1458a_100000070787_100000755639 [0,1,0,0,0,0|2,0,0]=3 213 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)Cl 1458a_100000070787_200010137201 [0,1,0,0,0,0|2,0,0]=3 214 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)O 1458a_100000070787_100000187625 [0,1,0,0,0,0|2,0,0]=3 215 B16R2.3995 CC(=O)Nc1cc(cc2c1cccc2)Br 11a_100010171453_100015343762 [0,1,0,0,0,0|2,0,0]=3 216 B16R2.3995 CC(=O)Nc1cc(cc2c1cccc2)Br 1626a_100010171453_100015343762 [0,1,0,0,0,0|2,0,0]=3 217 B16R2.3995 CC(=O)Nc1cc(cc2c1cccc2)Br 22a_100010171453_100000070787 [0,1,0,0,0,0|2,0,0]=3 218 B16R2.3995 CC(=O)Nc1cc(cc2c1cccn2)Br 11a_200010263263_100015343762 [0,1,0,0,0,0|3,0,0]=4 219 B16R2.3995 CC(=O)Nc1cc(cc2c1cccn2)Br 1626a_200010263263_100015343762 [0,1,0,0,0,0|3,0,0]=4 220 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)Br 11a_100009814519_100015343762 [0,1,0,0,0,0|3,0,0]=4 221 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)Br 1626a_100009814519_100015343762 [0,1,0,0,0,0|3,0,0]=4 222 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)Br 527a_100009814519_100103153847 [0,1,0,0,0,0|3,0,0]=4 223 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)Cl 11a_100000026717_100015343762 [0,1,0,0,0,0|3,0,0]=4 224 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)Cl 1626a_100000026717_100015343762 [0,1,0,0,0,0|3,0,0]=4 225 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)Cl 527a_100000026717_100103153847 [0,1,0,0,0,0|3,0,0]=4 226 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)F 11a_100000088212_100015343762 [0,1,0,0,0,0|3,0,0]=4 227 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)F 1626a_100000088212_100015343762 [0,1,0,0,0,0|3,0,0]=4 228 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)F 527a_100000088212_100103153847 [0,1,0,0,0,0|3,0,0]=4 229 B16R2.3995 CC(=O)Nc1cc(cc2c1nccc2)O 527a_100000083691_100103153847 [0,1,0,0,0,0|3,0,0]=4 230 B16R2.12129 CC(=Cc1cccc2c1cc(cc2)O)C 271570a_100102525489_100010169565 [0,1,0,0,0,0|2,0,1]=4 231 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)Br 11a_100010090012_100015343762 [0,1,0,0,0,0|2,0,0]=3 232 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)Br 1626a_100010090012_100015343762 [0,1,0,0,0,0|2,0,0]=3 233 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)Br 22a_100010090012_100000070787 [0,1,0,0,0,0|2,0,0]=3 234 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)Br 527a_100010090012_100103153847 [0,1,0,0,0,0|2,0,0]=3 235 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 1626a_100000034012_100015343762 [0,1,0,0,0,0|2,0,0]=3 236 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 22a_100000034012_100000070787 [0,1,0,0,0,0|2,0,0]=3 237 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 527a_100000034012_100103153847 [0,1,0,0,0,0|2,0,0]=3 238 B16R2.12129 CC(=O)Nc1cccc2c1cc(cn2)Br 11a_100010264086_100015343762 [0,1,0,0,0,0|3,0,0]=4 239 B16R2.12129 CC(=O)Nc1cccc2c1cc(cn2)Br 1626a_100010264086_100015343762 [0,1,0,0,0,0|3,0,0]=4 240 B16R2.12129 CC(=O)Nc1cccc2c1cc(cn2)Br 22a_100010264086_100000070787 [0,1,0,0,0,0|3,0,0]=4 241 B16R2.12129 CC(=O)Nc1cccc2c1nc(cc2)C 11a_100000019871_100015343762 [0,1,0,0,0,0|3,0,0]=4 242 B16R2.12129 CC(=O)Nc1cccc2c1nc(cc2)C 1626a_100000019871_100015343762 [0,1,0,0,0,0|3,0,0]=4 243 B16R2.12129 CC(=O)Nc1cccc2c1nc(cc2)C 22a_100000019871_100000070787 [0,1,0,0,0,0|3,0,0]=4 244 B16R2.12129 CC(=O)Nc1cccc2c1nc(cc2)C 527a_100000019871_100103153847 [0,1,0,0,0,0|3,0,0]=4 245 B16R2.22885 CC(=Cc1cccc2c1cccc2F)C 271570a_100102525489_100009817034 [0,1,0,0,0,0|2,0,1]=4 246 B16R2.22885 CC(=Cc1cccc2c1cccc2N)C 271570a_100102525489_100009816864 [0,1,0,0,0,0|2,0,1]=4 247 B16R2.22885 CC(=Cc1cccc2c1cccc2O)C 271570a_100102525489_100010003857 [0,1,0,0,0,0|2,0,1]=4 248 B16R2.22885 CC(=O)Nc1cccc2c1cc[nH]c2=O 11a_100000080576_100015343762 [0,1,0,0,0,0|3,0,0]=4 249 B16R2.22885 CC(=O)Nc1cccc2c1cc[nH]c2=O 22a_100000080576_100000070787 [0,1,0,0,0,0|3,0,0]=4 250 B16R2.22885 CC(=O)Nc1cccc2c1cc[nH]c2=O 527a_100000080576_100103153847 [0,1,0,0,0,0|3,0,0]=4 251 B16R2.22885 CC(=O)Nc1cccc2c1ccc[n+]2C 11a_200021579679_100015343762 [0,1,0,0,0,0|3,0,0]=4 252 B16R2.22885 CC(=O)Nc1cccc2c1ccc[n+]2C 1626a_200021579679_100015343762 [0,1,0,0,0,0|3,0,0]=4 253 B16R2.22885 CC(=O)Nc1cccc2c1ccc[n+]2C 22a_200021579679_100000070787 [0,1,0,0,0,0|3,0,0]=4 254 B16R2.22885 CC(=O)Nc1cccc2c1ccc[n+]2C 527a_200021579679_100103153847 [0,1,0,0,0,0|3,0,0]=4 255 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Br 11a_100009816864_100015343762 [0,1,0,0,0,0|2,0,0]=3 256 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Br 1626a_100009816864_100015343762 [0,1,0,0,0,0|2,0,0]=3 257 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Br 527a_100009816864_100103153847 [0,1,0,0,0,0|2,0,0]=3 258 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Cl 11a_100000077128_100015343762 [0,1,0,0,0,0|2,0,0]=3 259 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Cl 1626a_100000077128_100015343762 [0,1,0,0,0,0|2,0,0]=3 260 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Cl 22a_100000077128_100000070787 [0,1,0,0,0,0|2,0,0]=3 261 B16R2.22885 CC(=O)Nc1cccc2c1cccc2O 1626a_100000210686_100015343762 [0,1,0,0,0,0|2,0,0]=3 262 B16R2.22885 CC(=O)Nc1cccc2c1ccnc2Cl 11a_100000070072_100015343762 [0,1,0,0,0,0|3,0,0]=4 263 B16R2.22885 CC(=O)Nc1cccc2c1ccnc2Cl 1626a_100000070072_100015343762 [0,1,0,0,0,0|3,0,0]=4 264 B16R2.22885 CC(=O)Nc1cccc2c1nccc2C 11a_100011934384_100015343762 [0,1,0,0,0,0|3,0,0]=4 265 B16R2.22885 CC(=O)Nc1cccc2c1nccc2C 1626a_100011934384_100015343762 [0,1,0,0,0,0|3,0,0]=4 266 B16R2.22885 CC(=O)Nc1cccc2c1nccc2C 22a_100011934384_100000070787 [0,1,0,0,0,0|3,0,0]=4 267 B16R2.22885 CC(=O)Nc1cccc2c1nccc2C 527a_100011934384_100103153847 [0,1,0,0,0,0|3,0,0]=4 268 B16R2.22885 CC(=O)Nc1cccc2c1nccc2Cl 11a_100009892510_100015343762 [0,1,0,0,0,0|3,0,0]=4 269 B16R2.22885 CC(=O)Nc1cccc2c1nccc2Cl 1626a_100009892510_100015343762 [0,1,0,0,0,0|3,0,0]=4 270 B16R2.22885 CC(=O)Nc1cccc2c1nccc2Cl 527a_100009892510_100103153847 [0,1,0,0,0,0|3,0,0]=4 271 B16R2.22885 CN(C)Cc1cccc2c1cccc2F 270004a_100102631434_200102526217 [0,1,0,0,0,0|3,0,0]=4 272 B16R2.24414 CC(=Cc1ccc(c2c1cccc2)C)C 271570a_100102525489_100011215156 [0,1,0,0,0,0|2,0,1]=4 273 B16R2.24414 CC(=Cc1ccc(c2c1cccc2)F)C 271570a_100102525489_100011218216 [0,1,0,0,0,0|2,0,1]=4 274 B16R2.24414 CC(=Cc1ccc(c2c1cccc2)N)C 271570a_100102525489_100000766797 [0,1,0,0,0,0|2,0,1]=4 275 B16R2.24414 CC(=Cc1ccc(c2c1cccc2)O)C 271570a_100102525489_100000186334 [0,1,0,0,0,0|2,0,1]=4 276 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000070787_100012352185 [0,1,0,0,0,0|1,0,0]=2 277 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000070787_100012073487 [0,1,0,0,0,0|1,0,0]=2 278 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000070787_100011988723 [0,1,0,0,0,0|1,0,0]=2 279 B16R2.24414 CC(=O)Cc1ccc(c2c1cccn2)O 1458a_100000070787_100000683097 [0,1,0,0,0,0|2,0,0]=3 280 B16R2.24414 CC(=O)Cc1n[nH]c(=O)c2c1cccc2 1458a_100000010072_200000210301 [0,1,0,0,0,0|3,0,0]=4 281 B16R2.24414 CC(=O)Cn1ccc(=O)c2c1cccc2 1458a_100000745096_200000210301 [0,1,0,0,0,0|2,0,0]=3 282 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Br 11a_100000766797_100015343762 [0,1,0,0,0,0|2,0,0]=3 283 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Br 1626a_100000766797_100015343762 [0,1,0,0,0,0|2,0,0]=3 284 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Br 22a_100000766797_100000070787 [0,1,0,0,0,0|2,0,0]=3 285 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Cl 11a_100011216319_100015343762 [0,1,0,0,0,0|2,0,0]=3 286 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Cl 1626a_100011216319_100015343762 [0,1,0,0,0,0|2,0,0]=3 287 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Cl 22a_100011216319_100000070787 [0,1,0,0,0,0|2,0,0]=3 288 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)F 11a_100011988692_100015343762 [0,1,0,0,0,0|2,0,0]=3 289 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)F 1626a_100011988692_100015343762 [0,1,0,0,0,0|2,0,0]=3 290 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)F 22a_100011988692_100000070787 [0,1,0,0,0,0|2,0,0]=3 291 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)O 22a_100000705857_100000070787 [0,1,0,0,0,0|2,0,0]=3 292 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)O 271570a_203496583355_200012047196 [0,1,0,0,0,0|2,0,0]=3 293 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)O 527a_100000705857_100103153847 [0,1,0,0,0,0|2,0,0]=3 294 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)Br 11a_100012360041_100015343762 [0,1,0,0,0,0|3,0,0]=4 295 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)Br 1626a_100012360041_100015343762 [0,1,0,0,0,0|3,0,0]=4 296 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)Br 22a_100012360041_100000070787 [0,1,0,0,0,0|3,0,0]=4 297 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)C 11a_100000736242_100015343762 [0,1,0,0,0,0|3,0,0]=4 298 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)C 1626a_100000736242_100015343762 [0,1,0,0,0,0|3,0,0]=4 299 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)C 22a_100000736242_100000070787 [0,1,0,0,0,0|3,0,0]=4 300 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)Cl 11a_100000746469_100015343762 [0,1,0,0,0,0|3,0,0]=4 301 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)Cl 1626a_100000746469_100015343762 [0,1,0,0,0,0|3,0,0]=4 302 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)Cl 22a_100000746469_100000070787 [0,1,0,0,0,0|3,0,0]=4 303 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)F 11a_102125277280_100015343762 [0,1,0,0,0,0|3,0,0]=4 304 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)F 1626a_102125277280_100015343762 [0,1,0,0,0,0|3,0,0]=4 305 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)F 22a_102125277280_100000070787 [0,1,0,0,0,0|3,0,0]=4 306 B16R2.24414 CC(=O)Nc1ccc(c2c1cccn2)O 22a_100000188197_100000070787 [0,1,0,0,0,0|3,0,0]=4 307 B16R2.24414 CC(=O)Nc1ccc(c2c1ccnc2)Br 11a_200012344021_100015343762 [0,1,0,0,0,0|3,0,0]=4 308 B16R2.24414 CC(=O)Nc1ccc(c2c1ccnc2)Br 1626a_200012344021_100015343762 [0,1,0,0,0,0|3,0,0]=4 309 B16R2.24414 CC(=O)Nc1ccc(c2c1ccnc2)Br 22a_200012344021_100000070787 [0,1,0,0,0,0|3,0,0]=4 310 B16R2.24414 CC(=O)Nc1ccc(c2c1ccnc2)Cl 11a_100012183343_100015343762 [0,1,0,0,0,0|3,0,0]=4 311 B16R2.24414 CC(=O)Nc1ccc(c2c1ccnc2)Cl 1626a_100012183343_100015343762 [0,1,0,0,0,0|3,0,0]=4 312 B16R2.24414 CC(=O)Nc1ccc(c2c1cncc2)Br 11a_100011218454_100015343762 [0,1,0,0,0,0|3,0,0]=4 313 B16R2.24414 CC(=O)Nc1ccc(c2c1cncc2)Br 1626a_100011218454_100015343762 [0,1,0,0,0,0|3,0,0]=4 314 B16R2.24414 CC(=O)Nc1ccc(c2c1cncc2)Br 22a_100011218454_100000070787 [0,1,0,0,0,0|3,0,0]=4 315 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)Br 11a_100000726955_100015343762 [0,1,0,0,0,0|3,0,0]=4 316 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)Br 1626a_100000726955_100015343762 [0,1,0,0,0,0|3,0,0]=4 317 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)Br 527a_100000726955_100103153847 [0,1,0,0,0,0|3,0,0]=4 318 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)Cl 11a_100000736140_100015343762 [0,1,0,0,0,0|3,0,0]=4 319 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)Cl 1626a_100000736140_100015343762 [0,1,0,0,0,0|3,0,0]=4 320 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)Cl 22a_100000736140_100000070787 [0,1,0,0,0,0|3,0,0]=4 321 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)I 11a_100012970284_100015343762 [0,1,0,0,0,0|3,0,0]=4 322 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)I 1626a_100012970284_100015343762 [0,1,0,0,0,0|3,0,0]=4 323 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)I 527a_100012970284_100103153847 [0,1,0,0,0,0|3,0,0]=4 324 B16R2.24414 CC(=O)Nc1ccc(c2c1nccc2)O 271570a_203496583355_100009812427 [0,1,0,0,0,0|3,0,0]=4 325 B16R2.24414 CN(C)Cc1ccc(c2c1cccc2)Br 2230a_100102631434_100012352185 [0,1,0,0,0,0|3,0,0]=4 326 B16R2.24414 CN(C)Cc1ccc(c2c1cccc2)Br 269982a_100102631434_100012352185 [0,1,0,0,0,0|3,0,0]=4 327 B16R2.24414 CN(C)Cc1ccc(c2c1cccc2)Br 270004a_100102631434_100012359940 [0,1,0,0,0,0|3,0,0]=4 328 B16R2.24414 CN(C)Cc1ccc(c2c1cccc2)Cl 270004a_100102631434_100011204464 [0,1,0,0,0,0|3,0,0]=4 329 B16R2.24414 CN(C)Cc1ccc(c2c1cccc2)F 2230a_100102631434_100011988723 [0,1,0,0,0,0|3,0,0]=4 330 B16R2.24414 CN(C)Cc1ccc(c2c1cccc2)F 269982a_100102631434_100011988723 [0,1,0,0,0,0|3,0,0]=4 331 B16R2.24414 CN(C)Cc1ccc(c2c1cccc2)F 270004a_100102631434_100011934225 [0,1,0,0,0,0|3,0,0]=4 332 B16R2.24414 Cc1ccc(c2c1cccc2)CN(C)C 2230a_100102631434_100012073487 [0,1,0,0,0,0|3,0,0]=4 333 B16R2.24414 Cc1ccc(c2c1cccc2)CN(C)C 269982a_100102631434_100012073487 [0,1,0,0,0,0|3,0,0]=4 334 B16R2.24414 Cc1ccc(c2c1cccc2)CN(C)C 270004a_100102631434_100000188529 [0,1,0,0,0,0|3,0,0]=4 335 B16R2.24414 [13CH3]C(=O)Cc1n[nH]c(=O)c2c1cccc2 1458a_100000010072_200025704644 [0,1,0,0,0,0|3,0,0]=4 336 B16R2.24414 [13CH3]C(=O)Cn1ccc(=O)c2c1cccc2 1458a_100000745096_200025704644 [0,1,0,0,0,0|2,0,0]=3 337 B16R2.126882 CC(=Cc1cccc2c1c(ccc2)C)C 271570a_100102525489_100009995290 [0,1,0,0,0,0|2,0,1]=4 338 B16R2.126882 CC(=Cc1cccc2c1c(ccc2)F)C 271570a_100102525489_100010177852 [0,1,0,0,0,0|2,0,1]=4 339 B16R2.126882 CC(=Cc1cccc2c1c(ccc2)N)C 271570a_100102525489_100010002837 [0,1,0,0,0,0|2,0,1]=4 340 B16R2.126882 CC(=Cc1cccc2c1c(ccc2)O)C 271570a_100102525489_100010089961 [0,1,0,0,0,0|2,0,1]=4 341 B16R2.126882 CC(=O)Nc1cccc2c1[n+](ccc2)[O-] 11a_200000070183_100015343762 [0,1,0,0,0,0|3,0,0]=4 342 B16R2.126882 CC(=O)Nc1cccc2c1[n+](ccc2)[O-] 1626a_200000070183_100015343762 [0,1,0,0,0,0|3,0,0]=4 343 B16R2.126882 CC(=O)Nc1cccc2c1[n+](ccc2)[O-] 22a_200000070183_100000070787 [0,1,0,0,0,0|3,0,0]=4 344 B16R2.126882 CC(=O)Nc1cccc2c1[n+](ccc2)[O-] 527a_200000070183_100103153847 [0,1,0,0,0,0|3,0,0]=4 345 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Br 11a_100010002837_100015343762 [0,1,0,0,0,0|2,0,0]=3 346 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Br 1626a_100010002837_100015343762 [0,1,0,0,0,0|2,0,0]=3 347 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Br 527a_100010002837_100103153847 [0,1,0,0,0,0|2,0,0]=3 348 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)C 11a_100009841044_100015343762 [0,1,0,0,0,0|2,0,0]=3 349 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)C 1626a_100009841044_100015343762 [0,1,0,0,0,0|2,0,0]=3 350 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)C 22a_100009841044_100000070787 [0,1,0,0,0,0|2,0,0]=3 351 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Cl 11a_100009857565_100015343762 [0,1,0,0,0,0|2,0,0]=3 352 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Cl 1626a_100009857565_100015343762 [0,1,0,0,0,0|2,0,0]=3 353 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)F 11a_100009878580_100015343762 [0,1,0,0,0,0|2,0,0]=3 354 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)F 1626a_100009878580_100015343762 [0,1,0,0,0,0|2,0,0]=3 355 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)F 22a_100009878580_100000070787 [0,1,0,0,0,0|2,0,0]=3 356 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)F 527a_100009878580_100103153847 [0,1,0,0,0,0|2,0,0]=3 357 B16R2.126882 CC(=O)Nc1cccc2c1c(ccn2)Cl 11a_100010263589_100015343762 [0,1,0,0,0,0|3,0,0]=4 358 B16R2.126882 CC(=O)Nc1cccc2c1c(ccn2)Cl 1626a_100010263589_100015343762 [0,1,0,0,0,0|3,0,0]=4 359 B16R2.126882 CC(=O)Nc1cccc2c1c(cnc2)Br 11a_100000720362_100015343762 [0,1,0,0,0,0|3,0,0]=4 360 B16R2.126882 CC(=O)Nc1cccc2c1c(cnc2)Br 1626a_100000720362_100015343762 [0,1,0,0,0,0|3,0,0]=4 361 B16R2.126882 CC(=O)Nc1cccc2c1c(cnc2)Br 527a_100000720362_100103153847 [0,1,0,0,0,0|3,0,0]=4 362 B16R2.126882 CC(=O)Nc1cccc2c1c(cnc2)C 11a_100009845824_100015343762 [0,1,0,0,0,0|3,0,0]=4 363 B16R2.126882 CC(=O)Nc1cccc2c1c(cnc2)C 1626a_100009845824_100015343762 [0,1,0,0,0,0|3,0,0]=4 364 B16R2.126882 CC(=O)Nc1cccc2c1c(cnc2)C 22a_100009845824_100000070787 [0,1,0,0,0,0|3,0,0]=4 365 B16R2.126882 CC(=O)Nc1cccc2c1c(cnc2)C 527a_100009845824_100103153847 [0,1,0,0,0,0|3,0,0]=4 366 B16R2.126882 CN(C)Cc1cccc2c1c(ccc2)Cl 270004a_100102631434_100009850064 [0,1,0,0,0,0|3,0,0]=4 367 B16R2.126882 Cc1cccc2c1c(ccc2)CN(C)C 270004a_100102631434_100009842862 [0,1,0,0,0,0|3,0,0]=4 368 B16R2.170412 C#CC(=O)Cc1cccc2c1cccc2 1458a_100000211873_100000188474 [0,1,0,0,0,0|1,0,0]=2 369 B16R2.170412 C#CC(=O)Cc1cccc2c1ccnc2 1458a_100000211873_100016989825 [0,1,0,0,0,0|2,0,0]=3 370 B16R2.170412 C#CC(=O)Cc1cccc2c1nccc2 1458a_100000211873_100000241032 [0,1,0,0,0,0|2,0,0]=3 371 B16R2.170412 C#CC(=O)Cc1ccnc2c1cccc2 1458a_100000211873_100015192512 [0,1,0,0,0,0|2,0,0]=3 372 B16R2.170412 C#CC(=O)Cc1nccc2c1cccc2 1458a_100000211873_100000033776 [0,1,0,0,0,0|2,0,0]=3 373 B16R2.170412 C=CC(=O)Cc1cccc2c1cccc2 1458a_100000185746_100000188474 [0,1,0,0,0,0|1,0,0]=2 374 B16R2.170412 C=CC(=O)Cc1cccc2c1ccnc2 1458a_100000185746_100016989825 [0,1,0,0,0,0|2,0,0]=3 375 B16R2.170412 C=CC(=O)Cc1cccc2c1nccc2 1458a_100000185746_100000241032 [0,1,0,0,0,0|2,0,0]=3 376 B16R2.170412 C=CC(=O)Cc1ccnc2c1cccc2 1458a_100000185746_100015192512 [0,1,0,0,0,0|2,0,0]=3 377 B16R2.170412 C=CC(=O)Cc1nccc2c1cccc2 1458a_100000185746_100000033776 [0,1,0,0,0,0|2,0,0]=3 378 B16R2.170412 C=CC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000185746 [0,1,0,0,0,0|2,0,0]=3 379 B16R2.170412 C=CC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000185746 [0,1,0,0,0,0|2,0,0]=3 380 B16R2.170412 C=CC(=O)Nc1cccc2c1cccn2 1626a_100000183906_100000185746 [0,1,0,0,0,0|3,0,0]=4 381 B16R2.170412 C=CC(=O)Nc1cccc2c1cccn2 22a_100000183906_100000185746 [0,1,0,0,0,0|3,0,0]=4 382 B16R2.170412 C=CC(=O)Nc1cccc2c1ccnc2 1626a_100000210097_100000185746 [0,1,0,0,0,0|3,0,0]=4 383 B16R2.170412 C=CC(=O)Nc1cccc2c1ccnc2 22a_100000210097_100000185746 [0,1,0,0,0,0|3,0,0]=4 384 B16R2.170412 C=CC(=O)Nc1cccc2c1cncc2 1626a_100000065885_100000185746 [0,1,0,0,0,0|3,0,0]=4 385 B16R2.170412 C=CC(=O)Nc1cccc2c1cncc2 22a_100000065885_100000185746 [0,1,0,0,0,0|3,0,0]=4 386 B16R2.170412 C=CC(=O)Nc1cccc2c1nccc2 1626a_100000181377_100000185746 [0,1,0,0,0,0|3,0,0]=4 387 B16R2.170412 C=CC(=O)Nc1cccc2c1nccc2 22a_100000181377_100000185746 [0,1,0,0,0,0|3,0,0]=4 388 B16R2.170412 CC(CO)Nc1cccc2c1cccc2 34a_100000185869_100012180447 [0,1,0,0,0,0|2,0,1]=4 389 B16R2.170412 CC(CO)Oc1cccc2c1cccc2 34a_100000210388_100012180447 [0,1,0,0,0,0|2,0,1]=4 390 B16R2.170412 CC(CO)Oc1cccc2c1cccc2 7a_100000210388_100012180447 [0,1,0,0,0,0|2,0,1]=4 391 B16R2.170412 CC(CO)Sc1cccc2c1cccc2 62a_100012180447_100000210605 [0,1,0,0,0,0|2,0,1]=4 392 B16R2.170412 CCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210202 [0,1,0,0,0,0|1,0,0]=2 393 B16R2.170412 CCC(=O)Cc1cccc2c1cccc2 1458a_100000210414_100000188474 [0,1,0,0,0,0|1,0,0]=2 394 B16R2.170412 CCC(=O)Cc1cccc2c1ccnc2 1458a_100000210414_100016989825 [0,1,0,0,0,0|2,0,0]=3 395 B16R2.170412 CCC(=O)Cc1cccc2c1nccc2 1458a_100000210414_100000241032 [0,1,0,0,0,0|2,0,0]=3 396 B16R2.170412 CCC(=O)Cc1ccnc2c1cccc2 1458a_100000210414_100015192512 [0,1,0,0,0,0|2,0,0]=3 397 B16R2.170412 CCC(=O)Cc1nccc2c1cccc2 1458a_100000210414_100000033776 [0,1,0,0,0,0|2,0,0]=3 398 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000210414 [0,1,0,0,0,0|2,0,0]=3 399 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000210414 [0,1,0,0,0,0|2,0,0]=3 400 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000210414 [0,1,0,0,0,0|2,0,0]=3 401 B16R2.170412 CCC(=O)Nc1cccc2c1cccn2 11a_100000183906_100000210414 [0,1,0,0,0,0|3,0,0]=4 402 B16R2.170412 CCC(=O)Nc1cccc2c1cccn2 1626a_100000183906_100000210414 [0,1,0,0,0,0|3,0,0]=4 403 B16R2.170412 CCC(=O)Nc1cccc2c1cccn2 22a_100000183906_100000210414 [0,1,0,0,0,0|3,0,0]=4 404 B16R2.170412 CCC(=O)Nc1cccc2c1ccnc2 11a_100000210097_100000210414 [0,1,0,0,0,0|3,0,0]=4 405 B16R2.170412 CCC(=O)Nc1cccc2c1ccnc2 1626a_100000210097_100000210414 [0,1,0,0,0,0|3,0,0]=4 406 B16R2.170412 CCC(=O)Nc1cccc2c1ccnc2 22a_100000210097_100000210414 [0,1,0,0,0,0|3,0,0]=4 407 B16R2.170412 CCC(=O)Nc1cccc2c1ccnc2 527a_100000210097_100000210414 [0,1,0,0,0,0|3,0,0]=4 408 B16R2.170412 CCC(=O)Nc1cccc2c1cncc2 11a_100000065885_100000210414 [0,1,0,0,0,0|3,0,0]=4 409 B16R2.170412 CCC(=O)Nc1cccc2c1cncc2 1626a_100000065885_100000210414 [0,1,0,0,0,0|3,0,0]=4 410 B16R2.170412 CCC(=O)Nc1cccc2c1cncc2 22a_100000065885_100000210414 [0,1,0,0,0,0|3,0,0]=4 411 B16R2.170412 CCC(=O)Nc1cccc2c1cncc2 527a_100000065885_100000210414 [0,1,0,0,0,0|3,0,0]=4 412 B16R2.170412 CCC(=O)Nc1cccc2c1nccc2 11a_100000181377_100000210414 [0,1,0,0,0,0|3,0,0]=4 413 B16R2.170412 CCC(=O)Nc1cccc2c1nccc2 1626a_100000181377_100000210414 [0,1,0,0,0,0|3,0,0]=4 414 B16R2.170412 CCC(=O)Nc1cccc2c1nccc2 22a_100000181377_100000210414 [0,1,0,0,0,0|3,0,0]=4 415 B16R2.170412 CCC(=O)Nc1cccc2c1nccc2 527a_100000181377_100000210414 [0,1,0,0,0,0|3,0,0]=4 416 B16R2.170412 CCN(C)Cc1cccc2c1cccc2 2230a_100000225621_100011261445 [0,1,0,0,0,0|3,0,0]=4 417 B16R2.170412 CCN(C)Cc1cccc2c1cccc2 2230a_100000741213_100000210202 [0,1,0,0,0,0|3,0,0]=4 418 B16R2.170412 CCN(C)Cc1cccc2c1cccc2 269982a_100000225621_100000188474 [0,1,0,0,0,0|3,0,0]=4 419 B16R2.170412 CCN(C)Cc1cccc2c1cccc2 269982a_100000741213_100000204670 [0,1,0,0,0,0|3,0,0]=4 420 B16R2.170412 CN(CF)Cc1cccc2c1cccc2 269982a_100000741213_100015361967 [0,1,0,0,0,0|3,0,0]=4 421 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 11a_106832991635_100000186155 [0,1,0,0,0,0|1,0,0]=2 422 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 1626a_100102657272_100000186155 [0,1,0,0,0,0|1,0,0]=2 423 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 240690a_100102657272_100000186155 [0,1,0,0,0,0|1,0,0]=2 424 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 527a_100102657272_100000186155 [0,1,0,0,0,0|1,0,0]=2 425 B16R2.170412 CNC(=O)Nc1cccc2c1cccc2 2430a_100000185869_100102657272 [0,1,0,0,0,0|2,0,0]=3 426 B16R2.170412 CNC(=O)Nc1cccc2c1cccn2 2430a_100000183906_100102657272 [0,1,0,0,0,0|3,0,0]=4 427 B16R2.170412 CNC(=O)Nc1cccc2c1ccnc2 2430a_100000210097_100102657272 [0,1,0,0,0,0|3,0,0]=4 428 B16R2.170412 CNC(=O)Nc1cccc2c1nccc2 2430a_100000181377_100102657272 [0,1,0,0,0,0|3,0,0]=4 429 B16R2.170412 CNC(=O)Nc1cccc2c1nccc2 512a_100000181377_100102657272 [0,1,0,0,0,0|3,0,0]=4 430 B16R2.170412 COC(C)Sc1cccc2c1cccc2 62a_100009879195_100000210605 [0,1,0,0,0,0|2,0,1]=4 431 B16R2.170412 C[C@H](CO)Sc1cccc2c1cccc2 62a_100016084084_100000210605 [0,1,0,0,0,0|2,0,1]=4 432 B16R2.170412 O=C(CF)Cc1cccc2c1cccc2 1458a_100000186155_100015361967 [0,1,0,0,0,0|1,0,0]=2 433 B16R2.170412 O=C(CO)Cc1cccc2c1cccc2 1458a_100000210174_100000188474 [0,1,0,0,0,0|0,0,0]=1 434 B16R2.170412 O=C(CO)Cc1cccc2c1ccnc2 1458a_100000210174_100016989825 [0,1,0,0,0,0|1,0,0]=2 435 B16R2.170412 O=C(CO)Cc1cccc2c1nccc2 1458a_100000210174_100000241032 [0,1,0,0,0,0|1,0,0]=2 436 B16R2.170412 O=C(CO)Cc1ccnc2c1cccc2 1458a_100000210174_100015192512 [0,1,0,0,0,0|1,0,0]=2 437 B16R2.170412 O=C(CO)Cc1nccc2c1cccc2 1458a_100000210174_100000033776 [0,1,0,0,0,0|1,0,0]=2 438 B16R2.170412 O=C(CO)Nc1cccc2c1cccc2 22a_100000185869_100000210174 [0,1,0,0,0,0|1,0,0]=2 439 B16R2.170412 O=C(CO)Nc1cccc2c1cccn2 22a_100000183906_100000210174 [0,1,0,0,0,0|2,0,0]=3 440 B16R2.170412 O=C(CO)Nc1cccc2c1ccnc2 22a_100000210097_100000210174 [0,1,0,0,0,0|2,0,0]=3 441 B16R2.170412 O=C(CO)Nc1cccc2c1ccnc2 527a_100000210097_100000210174 [0,1,0,0,0,0|2,0,0]=3 442 B16R2.170412 O=C(CO)Nc1cccc2c1cncc2 22a_100000065885_100000210174 [0,1,0,0,0,0|2,0,0]=3 443 B16R2.170412 O=C(CO)Nc1cccc2c1cncc2 527a_100000065885_100000210174 [0,1,0,0,0,0|2,0,0]=3 444 B16R2.170412 O=C(CO)Nc1cccc2c1cnnc2 22a_100000087653_100000210174 [0,1,0,0,0,0|3,0,0]=4 445 B16R2.170412 O=C(CO)Nc1cccc2c1cnnc2 527a_100000087653_100000210174 [0,1,0,0,0,0|3,0,0]=4 446 B16R2.170412 O=C(CO)Nc1cccc2c1nccc2 22a_100000181377_100000210174 [0,1,0,0,0,0|2,0,0]=3 447 B16R2.170412 O=C(CO)Nc1cccc2c1nccc2 527a_100000181377_100000210174 [0,1,0,0,0,0|2,0,0]=3 448 B16R2.170412 O=C(CO)Nc1cccc2c1nccn2 22a_100011996443_100000210174 [0,1,0,0,0,0|3,0,0]=4 449 B16R2.170412 O=C(CO)Nc1cccc2c1nccn2 527a_100011996443_100000210174 [0,1,0,0,0,0|3,0,0]=4 450 B16R2.244415 CC(=C(C)c1cccc2c1cccc2)C 271570a_200000049429_100000210605 [0,1,0,0,0,0|2,0,1]=4 451 B16R2.244415 CC(=O)N(C)c1cccc2c1cccc2 11a_100000220138_100015343762 [0,1,0,0,0,0|2,0,0]=3 452 B16R2.244415 CC(=O)N(C)c1cccc2c1cccc2 1626a_100000220138_100015343762 [0,1,0,0,0,0|2,0,0]=3 453 B16R2.244415 CC(=O)N(C)c1cccc2c1cccc2 22a_100000220138_100000070787 [0,1,0,0,0,0|2,0,0]=3 454 B16R2.244415 C[C@H](c1cccc2c1cccc2)N(C)C 2230a_100009815097_200000210301 [0,1,0,0,0,0|3,0,0]=4 455 B16R2.244415 C[C@H](c1cccc2c1cccc2)N(C)C 269982a_100009815097_200000210301 [0,1,0,0,0,0|3,0,0]=4 456 B16R2.244415 C[C@H](c1cccc2c1cccc2)N(C)[13CH3] 2230a_100009815097_200025704644 [0,1,0,0,0,0|3,0,0]=4 457 B16R2.244415 C[C@H](c1cccc2c1cccc2)N(C)[13CH3] 269982a_100009815097_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B16R2.248309 CS(=O)(=O)Nc1cccc2c1cccc2 40a_100000185869_100000738038 [0,1,0,0,0,0|2,0,1]=4 459 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [0,0,1,0,0,0|2,0,1]=4 460 B14R1.422 CC(=O)NN=CC=Cc1ccccc1 4a_100000189765_100000210105 [0,0,1,0,0,0|3,0,0]=4 461 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100000711301_100016265936 [0,0,1,0,0,0|2,0,1]=4 462 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747473 [0,0,1,0,0,0|2,0,1]=4 463 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000187820 [0,0,1,0,0,0|2,0,1]=4 464 B14R1.422 NC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000187820 [0,0,1,0,0,0|2,0,1]=4 465 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100000747473_100016265936 [0,0,1,0,0,0|2,0,1]=4 466 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747473 [0,0,1,0,0,0|2,0,1]=4 467 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [0,0,1,0,0,0|1,0,1]=3 468 B14R1.422 O=C([O-])CNC/C=C/c1ccccc1 34a_100020603302_100020667443 [0,0,1,0,0,0|1,0,2]=4 469 B14R1.422 O=C([O-])COC/C=C/c1ccccc1 34a_100000210256_100020667443 [0,0,1,0,0,0|1,0,2]=4 470 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100016265936_100020667443 [0,0,1,0,0,0|1,0,2]=4 471 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100020667443_100016265936 [0,0,1,0,0,0|1,0,2]=4 472 B14R1.482 C/C=C/c1ccccc1OCC(=O)N 34a_200000189419_100000187820 [0,0,1,0,0,0|2,0,1]=4 473 B14R1.482 C/C=C/c1ccccc1OCC(=O)N 7a_200000189419_100000187820 [0,0,1,0,0,0|2,0,1]=4 474 B14R1.482 C/C=C/c1ccccc1OCC(=O)[O-] 34a_200000189419_100020667443 [0,0,1,0,0,0|1,0,2]=4 475 B14R1.482 C=C=Cc1ccccc1CCC(=O)N 271570a_100015277604_100009814947 [0,0,1,0,0,0|1,0,2]=4 476 B14R1.482 C=C=Cc1ccccc1OCC(=O)N 271570a_100015277604_200000148491 [0,0,1,0,0,0|2,0,1]=4 477 B14R1.482 C=CCc1ccccc1NCC(=O)N 2230a_200138433279_100000747473 [0,0,1,0,0,0|2,0,1]=4 478 B14R1.482 C=CCc1ccccc1NCC(=O)N 34a_200138433279_100000187820 [0,0,1,0,0,0|2,0,1]=4 479 B14R1.482 C=CCc1ccccc1NCC(=O)[O-] 34a_200138433279_100020667443 [0,0,1,0,0,0|1,0,2]=4 480 B14R1.482 C=CCc1ccccc1OCC(=O)N 34a_100000211836_100000187820 [0,0,1,0,0,0|2,0,1]=4 481 B14R1.482 C=CCc1ccccc1OCC(=O)N 7a_100000211836_100000187820 [0,0,1,0,0,0|2,0,1]=4 482 B14R1.482 C=CCc1ccccc1OCC(=O)[O-] 34a_100000211836_100020667443 [0,0,1,0,0,0|1,0,2]=4 483 B14R1.482 C=CCc1ccccc1SCC(=O)N 62a_100000747473_100009828059 [0,0,1,0,0,0|2,0,1]=4 484 B14R1.482 C=CCc1ccccc1SCC(=O)N 62a_100009828059_100000747473 [0,0,1,0,0,0|2,0,1]=4 485 B14R1.482 C=CCc1ccccc1SCC(=O)[O-] 62a_100009828059_100020667443 [0,0,1,0,0,0|1,0,2]=4 486 B14R1.482 C=CCc1ccccc1SCC(=O)[O-] 62a_100020667443_100009828059 [0,0,1,0,0,0|1,0,2]=4 487 B14R1.482 CC=Cc1ccccc1CCC(=O)N 271570a_100016259895_100009814947 [0,0,1,0,0,0|1,0,2]=4 488 B14R1.482 CC=Cc1ccccc1OCC(=O)N 271570a_100016259895_200000148491 [0,0,1,0,0,0|2,0,1]=4 489 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 2230a_100000211662_100000747473 [0,0,1,0,0,0|2,0,1]=4 490 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210623 [0,0,1,0,0,0|2,0,1]=4 491 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 269982a_100000211662_100000187820 [0,0,1,0,0,0|2,0,1]=4 492 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000210623 [0,0,1,0,0,0|2,0,1]=4 493 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 34a_100000211662_100000187820 [0,0,1,0,0,0|2,0,1]=4 494 B14R1.515 C=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210623 [0,0,1,0,0,0|1,0,1]=3 495 B14R1.515 C=CCN(CC(=O)[O-])c1ccccc1 269982a_100000211662_100020667443 [0,0,1,0,0,0|1,0,2]=4 496 B14R1.515 C=CCN(CC(=O)[O-])c1ccccc1 34a_100000211662_100020667443 [0,0,1,0,0,0|1,0,2]=4 497 B14R1.515 O=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_200015260668 [0,0,1,0,0,0|2,0,1]=4 498 B14R1.778 C=CCNc1cccc(c1)CC(=O)N 2230a_200011690101_100000210623 [0,0,1,0,0,0|2,0,1]=4 499 B14R1.778 C=CCNc1cccc(c1)CC(=O)N 34a_200011690101_100015514636 [0,0,1,0,0,0|2,0,1]=4 500 B14R1.778 C=CCOc1cccc(c1)CC(=O)N 34a_200000747573_100015514636 [0,0,1,0,0,0|2,0,1]=4 501 B14R1.778 C=CCOc1cccc(c1)CC(=O)N 7a_200000747573_100015514636 [0,0,1,0,0,0|2,0,1]=4 502 B14R1.778 C=CCSc1cccc(c1)CC(=O)C 62a_100000210623_100000689217 [0,0,1,0,0,0|2,0,1]=4 503 B14R1.778 C=CCSc1cccc(c1)CC(=O)C 62a_100000689217_100000210623 [0,0,1,0,0,0|2,0,1]=4 504 B14R1.778 C=CCSc1cccc(c1)CC(=O)N 62a_100000210623_100011586816 [0,0,1,0,0,0|2,0,1]=4 505 B14R1.778 C=CCSc1cccc(c1)CC(=O)N 62a_100011586816_100000210623 [0,0,1,0,0,0|2,0,1]=4 506 B14R1.786 C=CCSc1ccccc1CC(=O)C 62a_100000210623_100011350739 [0,0,1,0,0,0|2,0,1]=4 507 B14R1.786 C=CCSc1ccccc1CC(=O)C 62a_100011350739_100000210623 [0,0,1,0,0,0|2,0,1]=4 508 B14R1.786 C=CCSc1ccccc1CC(=O)N 62a_100000210623_200009814924 [0,0,1,0,0,0|2,0,1]=4 509 B14R1.786 C=CCSc1ccccc1CC(=O)N 62a_200009814924_100000210623 [0,0,1,0,0,0|2,0,1]=4 510 B14R1.840 C=Cc1ccccc1C(=O)CC(=C)C 1458a_100011830265_100000748629 [0,0,1,0,0,0|3,0,0]=4 511 B14R1.840 C=Cc1ccccc1C(=O)CC(=C)F 1458a_100011830265_100009893438 [0,0,1,0,0,0|3,0,0]=4 512 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)C 271570a_100011290941_200011243946 [0,0,1,0,0,0|2,0,0]=3 513 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)N 1458a_100011830265_100000187820 [0,0,1,0,0,0|2,0,0]=3 514 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100011830265_100020667443 [0,0,1,0,0,0|1,0,1]=3 515 B14R1.840 C=Cc1ccccc1C(=O)CC(C)O 1458a_100011830265_100011218427 [0,0,1,0,0,0|2,0,1]=4 516 B14R1.840 C=Cc1ccccc1C(=O)C[N+](=O)[O-] 1458a_100011830265_100000761209 [0,0,1,0,0,0|2,0,1]=4 517 B14R1.5090 C=C=Cc1c(cccc1CC(=O)N)C 271570a_100015277604_100011096275 [0,0,1,0,0,0|1,0,2]=4 518 B14R1.5090 CC=Cc1c(cccc1CC(=O)N)C 271570a_100016259895_100011096275 [0,0,1,0,0,0|1,0,2]=4 519 B16R3.27088 CN1Cc2cccc3c2c(ccc3)C1 2230a_100102583503_200000210301 [0,0,0,1,0,0|3,0,0]=4 520 B16R3.27088 CN1Cc2cccc3c2c(ccc3)C1 269982a_100102583503_200000210301 [0,0,0,1,0,0|3,0,0]=4 521 B16R3.27088 CN1Cc2cccc3c2c(ccc3)C1 34a_100102583503_200000210301 [0,0,0,1,0,0|3,0,0]=4 522 B16R3.27088 [13CH3]N1Cc2cccc3c2c(ccc3)C1 2230a_100102583503_200025704644 [0,0,0,1,0,0|3,0,0]=4 523 B16R3.27088 [13CH3]N1Cc2cccc3c2c(ccc3)C1 269982a_100102583503_200025704644 [0,0,0,1,0,0|3,0,0]=4 524 B16R3.27088 [13CH3]N1Cc2cccc3c2c(ccc3)C1 34a_100102583503_200025704644 [0,0,0,1,0,0|3,0,0]=4 525 B14R2.2 CC(=O)C[n+]1csc2c1cccc2 1458a_100009813389_200000210301 [0,0,0,0,1,0|3,0,0]=4 526 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [0,0,0,0,1,0|2,0,0]=3 527 B14R2.2 CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200000210301 [0,0,0,0,1,0|3,0,0]=4 528 B14R2.2 CC(=O)Cc1cnc2n1cccc2 1458a_100000070654_200000210301 [0,0,0,0,1,0|3,0,0]=4 529 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,0,0,0,1,0|2,0,0]=3 530 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000070787_200000742921 [0,0,0,0,1,0|2,0,0]=3 531 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000741031_200000210301 [0,0,0,0,1,0|2,0,0]=3 532 B14R2.2 CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200000210301 [0,0,0,0,1,0|3,0,0]=4 533 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000070787_100009813815 [0,0,0,0,1,0|3,0,0]=4 534 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000205995_200000210301 [0,0,0,0,1,0|3,0,0]=4 535 B14R2.2 CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_200000210301 [0,0,0,0,1,0|2,0,0]=3 536 B14R2.2 CC(=O)Cn1cnc2c1cccc2 1458a_100025771165_200000210301 [0,0,0,0,1,0|3,0,0]=4 537 B14R2.2 CC(=O)Cn1ncc2c1cccc2 1458a_100011614043_200000210301 [0,0,0,0,1,0|3,0,0]=4 538 B14R2.2 [13CH3]C(=O)C[n+]1csc2c1cccc2 1458a_100009813389_200025704644 [0,0,0,0,1,0|3,0,0]=4 539 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [0,0,0,0,1,0|2,0,0]=3 540 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200025704644 [0,0,0,0,1,0|3,0,0]=4 541 B14R2.2 [13CH3]C(=O)Cc1cnc2n1cccc2 1458a_100000070654_200025704644 [0,0,0,0,1,0|3,0,0]=4 542 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,0,0,0,1,0|2,0,0]=3 543 B14R2.2 [13CH3]C(=O)Cc1csc2c1cccc2 1458a_100000741031_200025704644 [0,0,0,0,1,0|2,0,0]=3 544 B14R2.2 [13CH3]C(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200025704644 [0,0,0,0,1,0|3,0,0]=4 545 B14R2.2 [13CH3]C(=O)Cc1noc2c1cccc2 1458a_100000205995_200025704644 [0,0,0,0,1,0|3,0,0]=4 546 B14R2.2 [13CH3]C(=O)Cn1ccc2c1cccc2 1458a_100000743657_200025704644 [0,0,0,0,1,0|2,0,0]=3 547 B14R2.2 [13CH3]C(=O)Cn1cnc2c1cccc2 1458a_100025771165_200025704644 [0,0,0,0,1,0|3,0,0]=4 548 B14R2.2 [13CH3]C(=O)Cn1ncc2c1cccc2 1458a_100011614043_200025704644 [0,0,0,0,1,0|3,0,0]=4 549 B14R2.9440 CC(=O)Cc1cccc2c1[nH]nc2 1458a_100000070787_100000099550 [0,0,0,0,1,0|3,0,0]=4 550 B14R2.9440 CC(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_200000210301 [0,0,0,0,1,0|2,0,0]=3 551 B14R2.9440 CC(=O)Cc1cccc2c1cco2 1458a_100000077588_200000210301 [0,0,0,0,1,0|2,0,0]=3 552 B14R2.9440 CC(=O)Cc1cccc2c1cn[nH]2 1458a_100000070787_100020636439 [0,0,0,0,1,0|3,0,0]=4 553 B14R2.9440 CC(=O)Cc1cccc2c1ncs2 1458a_100000070787_100010883896 [0,0,0,0,1,0|3,0,0]=4 554 B14R2.9440 CC(=O)Cc1cccc2c1scc2 1458a_100000070787_100009816938 [0,0,0,0,1,0|2,0,0]=3 555 B14R2.9440 CC(=O)Cc1cccc2n1ccn2 1458a_100000070787_200020640960 [0,0,0,0,1,0|3,0,0]=4 556 B14R2.9440 CC(=O)Nc1cccc2c1[nH]cc2 11a_100000685717_100015343762 [0,0,0,0,1,0|3,0,0]=4 557 B14R2.9440 CC(=O)Nc1cccc2c1[nH]cc2 1626a_100000685717_100015343762 [0,0,0,0,1,0|3,0,0]=4 558 B14R2.9440 CC(=O)Nc1cccc2c1[nH]cc2 22a_100000685717_100000070787 [0,0,0,0,1,0|3,0,0]=4 559 B14R2.9440 CC(=O)Nc1cccc2c1[nH]cc2 527a_100000685717_100103153847 [0,0,0,0,1,0|3,0,0]=4 560 B14R2.9440 CC(=O)Nc1cccc2c1cc[nH]2 11a_100011218720_100015343762 [0,0,0,0,1,0|3,0,0]=4 561 B14R2.9440 CC(=O)Nc1cccc2c1cc[nH]2 1626a_100011218720_100015343762 [0,0,0,0,1,0|3,0,0]=4 562 B14R2.9440 CC(=O)Nc1cccc2c1cc[nH]2 22a_100011218720_100000070787 [0,0,0,0,1,0|3,0,0]=4 563 B14R2.9440 CC(=O)Nc1cccc2c1cc[nH]2 527a_100011218720_100103153847 [0,0,0,0,1,0|3,0,0]=4 564 B14R2.9440 CC(=O)Nc1cccc2c1ccs2 11a_100020628958_100015343762 [0,0,0,0,1,0|3,0,0]=4 565 B14R2.9440 CC(=O)Nc1cccc2c1ccs2 1626a_100020628958_100015343762 [0,0,0,0,1,0|3,0,0]=4 566 B14R2.9440 CC(=O)Nc1cccc2c1ccs2 22a_100020628958_100000070787 [0,0,0,0,1,0|3,0,0]=4 567 B14R2.9440 [13CH3]C(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_200025704644 [0,0,0,0,1,0|2,0,0]=3 568 B14R2.9440 [13CH3]C(=O)Cc1cccc2c1cco2 1458a_100000077588_200025704644 [0,0,0,0,1,0|2,0,0]=3 569 B14R2.31359 C=C(C)c1cccc2c1cccc2 271570a_100000694244_100000210605 [0,0,0,0,1,0|2,0,0]=3 570 B14R2.31359 C=C(C)c1cccc2c1cccn2 271570a_100000694244_100011290932 [0,0,0,0,1,0|3,0,0]=4 571 B14R2.31359 C=C(C)c1cccc2c1ccnc2 271570a_100000694244_100000186358 [0,0,0,0,1,0|3,0,0]=4 572 B14R2.31359 C=C(C)c1cccc2c1cncc2 271570a_100000694244_100000685578 [0,0,0,0,1,0|3,0,0]=4 573 B14R2.31359 C=C(C)c1cccc2c1nccc2 271570a_100000694244_100011215545 [0,0,0,0,1,0|3,0,0]=4 574 B14R2.31359 C=C(C)c1ccnc2c1cccc2 271570a_100000694244_100011215880 [0,0,0,0,1,0|3,0,0]=4 575 B14R2.31359 C=C(C)c1cncc2c1cccc2 271570a_100000694244_100000187577 [0,0,0,0,1,0|3,0,0]=4 576 B14R2.31359 C=C(C)c1nccc2c1cccc2 271570a_100000694244_100011934041 [0,0,0,0,1,0|3,0,0]=4 577 B14R2.31359 CC(=O)c1cccc2c1cccc2 1458a_100000210949_200000210301 [0,0,0,0,1,0|1,0,0]=2 578 B14R2.31359 CC(=O)c1cccc2c1cccn2 1458a_100000241005_200000210301 [0,0,0,0,1,0|2,0,0]=3 579 B14R2.31359 CC(=O)c1cccc2c1ccnc2 1458a_100011290933_200000210301 [0,0,0,0,1,0|2,0,0]=3 580 B14R2.31359 CC(=O)c1cccc2c1cncc2 1458a_100011356482_200000210301 [0,0,0,0,1,0|2,0,0]=3 581 B14R2.31359 CC(=O)c1cccc2c1nccc2 1458a_100000195423_200000210301 [0,0,0,0,1,0|2,0,0]=3 582 B14R2.31359 CC(=O)c1cccc2c1nccn2 1458a_100000048969_200000210301 [0,0,0,0,1,0|3,0,0]=4 583 B14R2.31359 CN(C)c1cccc2c1cccc2 2230a_100000220138_200000210301 [0,0,0,0,1,0|3,0,0]=4 584 B14R2.31359 CN(C)c1cccc2c1cccc2 269982a_100000220138_200000210301 [0,0,0,0,1,0|3,0,0]=4 585 B14R2.31359 CN(C)c1cccc2c1cccc2 34a_100000220138_200000210301 [0,0,0,0,1,0|3,0,0]=4 586 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 2230a_100000220138_200025704644 [0,0,0,0,1,0|3,0,0]=4 587 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 269982a_100000220138_200025704644 [0,0,0,0,1,0|3,0,0]=4 588 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 34a_100000220138_200025704644 [0,0,0,0,1,0|3,0,0]=4 589 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccc2 1458a_100000210949_200025704644 [0,0,0,0,1,0|1,0,0]=2 590 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccn2 1458a_100000241005_200025704644 [0,0,0,0,1,0|2,0,0]=3 591 B14R2.31359 [13CH3]C(=O)c1cccc2c1ccnc2 1458a_100011290933_200025704644 [0,0,0,0,1,0|2,0,0]=3 592 B14R2.31359 [13CH3]C(=O)c1cccc2c1cncc2 1458a_100011356482_200025704644 [0,0,0,0,1,0|2,0,0]=3 593 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccc2 1458a_100000195423_200025704644 [0,0,0,0,1,0|2,0,0]=3 594 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccn2 1458a_100000048969_200025704644 [0,0,0,0,1,0|3,0,0]=4 595 B16R2.179941 C=C(C)CNc1cccc2c1cccc2 34a_100000185869_100000748629 [0,0,0,0,0,1|2,0,0]=3 596 B16R2.179941 C=C(C)CNc1cccc2c1cccn2 27a_100000765925_100011290932 [0,0,0,0,0,1|3,0,0]=4 597 B16R2.179941 C=C(C)CNc1cccc2c1cccn2 34a_100000183906_100000748629 [0,0,0,0,0,1|3,0,0]=4 598 B16R2.179941 C=C(C)CNc1cccc2c1nccc2 34a_100000181377_100000748629 [0,0,0,0,0,1|3,0,0]=4 599 B16R2.179941 C=C(C)CNc1ccnc2c1cccc2 27a_100000765925_100011215880 [0,0,0,0,0,1|3,0,0]=4 600 B16R2.179941 C=C(C)CNc1nccc2c1cccc2 27a_100000765925_100011934041 [0,0,0,0,0,1|3,0,0]=4 601 B16R2.179941 C=C(C)COc1cccc2c1cccc2 34a_100000210388_100000748629 [0,0,0,0,0,1|2,0,0]=3 602 B16R2.179941 C=C(C)COc1cccc2c1cccc2 7a_100000210388_100000748629 [0,0,0,0,0,1|2,0,0]=3 603 B16R2.179941 C=C(C)COc1cccc2c1cccn2 34a_100011197808_100000748629 [0,0,0,0,0,1|3,0,0]=4 604 B16R2.179941 C=C(C)COc1cccc2c1ccnc2 34a_100011218533_100000748629 [0,0,0,0,0,1|3,0,0]=4 605 B16R2.179941 C=C(C)COc1cccc2c1cncc2 34a_103624766955_100000748629 [0,0,0,0,0,1|3,0,0]=4 606 B16R2.179941 C=C(C)COc1cccc2c1nccc2 34a_100000056035_100000748629 [0,0,0,0,0,1|3,0,0]=4 607 B16R2.179941 C=C(C)COc1cncc2c1cccc2 34a_100000066178_100000748629 [0,0,0,0,0,1|3,0,0]=4 608 B16R2.179941 C=C(C)COc1cncc2c1cccc2 7a_100000066178_100000748629 [0,0,0,0,0,1|3,0,0]=4 609 B16R2.179941 C=C(C)COc1nccc2c1cccc2 34a_102531767632_100000748629 [0,0,0,0,0,1|3,0,0]=4 610 B16R2.179941 C=C(C)CSc1cccc2c1cccc2 62a_100000748629_100000210605 [0,0,0,0,0,1|2,0,0]=3 611 B16R2.179941 C=C(C)CSc1cccc2c1cccn2 62a_100000748629_100011290932 [0,0,0,0,0,1|3,0,0]=4 612 B16R2.179941 C=C(C)CSc1cccc2c1cccn2 62a_100011290932_100000211660 [0,0,0,0,0,1|3,0,0]=4 613 B16R2.179941 C=C(C)CSc1cccc2c1ccnc2 62a_100000186358_100000211660 [0,0,0,0,0,1|3,0,0]=4 614 B16R2.179941 C=C(C)CSc1cccc2c1ccnc2 62a_100000748629_100000186358 [0,0,0,0,0,1|3,0,0]=4 615 B16R2.179941 C=C(C)CSc1cccc2c1cncc2 62a_100000685578_100000211660 [0,0,0,0,0,1|3,0,0]=4 616 B16R2.179941 C=C(C)CSc1cccc2c1cncc2 62a_100000748629_100000685578 [0,0,0,0,0,1|3,0,0]=4 617 B16R2.179941 C=C(C)CSc1cccc2c1nccc2 62a_100000748629_100011215545 [0,0,0,0,0,1|3,0,0]=4 618 B16R2.179941 C=C(C)CSc1ccnc2c1cccc2 62a_100000748629_100011215880 [0,0,0,0,0,1|3,0,0]=4 619 B16R2.179941 C=C(C)CSc1ccnc2c1cccc2 62a_100011458314_100000211660 [0,0,0,0,0,1|3,0,0]=4 620 B16R2.179941 C=C(C)CSc1cncc2c1cccc2 62a_100000187577_100000211660 [0,0,0,0,0,1|3,0,0]=4 621 B16R2.179941 C=C(C)CSc1cncc2c1cccc2 62a_100000748629_100000187577 [0,0,0,0,0,1|3,0,0]=4 622 B16R2.179941 C=C(C)CSc1nccc2c1cccc2 62a_100000748629_100011934041 [0,0,0,0,0,1|3,0,0]=4 623 B16R2.179941 C=C(C)CSc1nccc2c1cccc2 62a_100011934041_100000211660 [0,0,0,0,0,1|3,0,0]=4 624 B16R2.179941 C=C(F)CNc1cccc2c1cccc2 34a_100000185869_100009893438 [0,0,0,0,0,1|2,0,0]=3 625 B16R2.179941 C=C(F)CNc1cccc2c1cccn2 34a_100000183906_100009893438 [0,0,0,0,0,1|3,0,0]=4 626 B16R2.179941 C=C(F)CNc1cccc2c1nccc2 34a_100000181377_100009893438 [0,0,0,0,0,1|3,0,0]=4 627 B16R2.179941 C=C(F)COc1cccc2c1cccc2 34a_100000210388_100009893438 [0,0,0,0,0,1|2,0,0]=3 628 B16R2.179941 C=C(F)COc1cccc2c1cccc2 7a_100000210388_100000042424 [0,0,0,0,0,1|2,0,0]=3 629 B16R2.179941 C=C(F)COc1cccc2c1cccn2 34a_100011197808_100009893438 [0,0,0,0,0,1|3,0,0]=4 630 B16R2.179941 C=C(F)COc1cccc2c1ccnc2 34a_100011218533_100009893438 [0,0,0,0,0,1|3,0,0]=4 631 B16R2.179941 C=C(F)COc1cccc2c1cncc2 34a_103624766955_100009893438 [0,0,0,0,0,1|3,0,0]=4 632 B16R2.179941 C=C(F)COc1cccc2c1nccc2 34a_100000056035_100009893438 [0,0,0,0,0,1|3,0,0]=4 633 B16R2.179941 C=C(F)COc1cncc2c1cccc2 34a_100000066178_100009893438 [0,0,0,0,0,1|3,0,0]=4 634 B16R2.179941 C=C(F)COc1cncc2c1cccc2 7a_100000066178_100000042424 [0,0,0,0,0,1|3,0,0]=4 635 B16R2.179941 C=C(F)COc1nccc2c1cccc2 34a_102531767632_100009893438 [0,0,0,0,0,1|3,0,0]=4 636 B16R2.179941 C=C(F)CSc1cccc2c1cccc2 62a_100000042424_100000210605 [0,0,0,0,0,1|2,0,0]=3 637 B16R2.179941 C=C(F)CSc1cccc2c1cccn2 62a_100000042424_100011290932 [0,0,0,0,0,1|3,0,0]=4 638 B16R2.179941 C=C(F)CSc1cccc2c1cccn2 62a_100011290932_100000042424 [0,0,0,0,0,1|3,0,0]=4 639 B16R2.179941 C=C(F)CSc1cccc2c1ccnc2 62a_100000042424_100000186358 [0,0,0,0,0,1|3,0,0]=4 640 B16R2.179941 C=C(F)CSc1cccc2c1ccnc2 62a_100000186358_100000042424 [0,0,0,0,0,1|3,0,0]=4 641 B16R2.179941 C=C(F)CSc1cccc2c1cncc2 62a_100000042424_100000685578 [0,0,0,0,0,1|3,0,0]=4 642 B16R2.179941 C=C(F)CSc1cccc2c1cncc2 62a_100000685578_100000042424 [0,0,0,0,0,1|3,0,0]=4 643 B16R2.179941 C=C(F)CSc1cccc2c1nccc2 62a_100000042424_100011215545 [0,0,0,0,0,1|3,0,0]=4 644 B16R2.179941 C=C(F)CSc1ccnc2c1cccc2 62a_100000042424_100011215880 [0,0,0,0,0,1|3,0,0]=4 645 B16R2.179941 C=C(F)CSc1ccnc2c1cccc2 62a_100011458314_100000042424 [0,0,0,0,0,1|3,0,0]=4 646 B16R2.179941 C=C(F)CSc1cncc2c1cccc2 62a_100000042424_100000187577 [0,0,0,0,0,1|3,0,0]=4 647 B16R2.179941 C=C(F)CSc1cncc2c1cccc2 62a_100000187577_100000042424 [0,0,0,0,0,1|3,0,0]=4 648 B16R2.179941 C=C(F)CSc1nccc2c1cccc2 62a_100000042424_100011934041 [0,0,0,0,0,1|3,0,0]=4 649 B16R2.179941 C=C(F)CSc1nccc2c1cccc2 62a_100011934041_100000042424 [0,0,0,0,0,1|3,0,0]=4 650 B16R2.179941 CC(=O)C=Cc1cccc2c1cccc2 1458a_100000735324_200000210301 [0,0,0,0,0,1|1,0,1]=3 651 B16R2.179941 CC(=O)C=Cc1cccc2c1nccc2 1458a_100000735392_200000210301 [0,0,0,0,0,1|2,0,1]=4 652 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100000070787_100011290781 [0,0,0,0,0,1|1,0,0]=2 653 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100011218451_200000210301 [0,0,0,0,0,1|1,0,0]=2 654 B16R2.179941 CC(=O)COc1cccc2c1cccc2 1458a_100000183701_200000210301 [0,0,0,0,0,1|1,0,0]=2 655 B16R2.179941 CC(=O)COc1cccc2c1nccc2 1458a_100000182336_200000210301 [0,0,0,0,0,1|2,0,0]=3 656 B16R2.179941 CC(=O)COc1ncnc2c1cccc2 1458a_100000216300_200000210301 [0,0,0,0,0,1|3,0,0]=4 657 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 11a_100000753325_100015343762 [0,0,0,0,0,1|1,0,0]=2 658 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100015343762 [0,0,0,0,0,1|1,0,0]=2 659 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 240690a_100000753325_100015343762 [0,0,0,0,0,1|1,0,0]=2 660 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 527a_100000753325_100103153847 [0,0,0,0,0,1|1,0,0]=2 661 B16R2.179941 CC(=O)NCc1cccc2c1cccn2 11a_100020628785_100015343762 [0,0,0,0,0,1|2,0,0]=3 662 B16R2.179941 CC(=O)NCc1cccc2c1cccn2 1626a_100020628785_100015343762 [0,0,0,0,0,1|2,0,0]=3 663 B16R2.179941 CC(=O)NCc1cccc2c1cccn2 240690a_100020628785_100015343762 [0,0,0,0,0,1|2,0,0]=3 664 B16R2.179941 CC(=O)NCc1cccc2c1cccn2 527a_100020628785_100103153847 [0,0,0,0,0,1|2,0,0]=3 665 B16R2.179941 CC(=O)NCc1cccc2c1ccnc2 11a_100011757365_100015343762 [0,0,0,0,0,1|2,0,0]=3 666 B16R2.179941 CC(=O)NCc1cccc2c1ccnc2 1626a_100011757365_100015343762 [0,0,0,0,0,1|2,0,0]=3 667 B16R2.179941 CC(=O)NCc1cccc2c1ccnc2 240690a_100011757365_100015343762 [0,0,0,0,0,1|2,0,0]=3 668 B16R2.179941 CC(=O)NCc1cccc2c1ccnc2 527a_100011757365_100103153847 [0,0,0,0,0,1|2,0,0]=3 669 B16R2.179941 CC(=O)NCc1cccc2c1nccc2 11a_100011195829_100015343762 [0,0,0,0,0,1|2,0,0]=3 670 B16R2.179941 CC(=O)NCc1cccc2c1nccc2 1626a_100011195829_100015343762 [0,0,0,0,0,1|2,0,0]=3 671 B16R2.179941 CC(=O)NCc1cccc2c1nccc2 240690a_100011195829_100015343762 [0,0,0,0,0,1|2,0,0]=3 672 B16R2.179941 CC(=O)NCc1cccc2c1nccc2 527a_100011195829_100103153847 [0,0,0,0,0,1|2,0,0]=3 673 B16R2.179941 CC(=O)NCc1cccc2c1nccn2 11a_100012184304_100015343762 [0,0,0,0,0,1|3,0,0]=4 674 B16R2.179941 CC(=O)NCc1cccc2c1nccn2 240690a_100012184304_100015343762 [0,0,0,0,0,1|3,0,0]=4 675 B16R2.179941 CC(=O)NCc1cccc2c1nccn2 527a_100012184304_100103153847 [0,0,0,0,0,1|3,0,0]=4 676 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 11a_100015187208_100015343762 [0,0,0,0,0,1|2,0,0]=3 677 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 1626a_100015187208_100015343762 [0,0,0,0,0,1|2,0,0]=3 678 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 240690a_100015187208_100015343762 [0,0,0,0,0,1|2,0,0]=3 679 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 527a_100015187208_100103153847 [0,0,0,0,0,1|2,0,0]=3 680 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 11a_100000735229_100015343762 [0,0,0,0,0,1|2,0,0]=3 681 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 240690a_100000735229_100015343762 [0,0,0,0,0,1|2,0,0]=3 682 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 527a_100000735229_100103153847 [0,0,0,0,0,1|2,0,0]=3 683 B16R2.179941 CC(=O)NNc1cccc2c1cccc2 22a_100000006939_100000070787 [0,0,0,0,0,1|2,0,0]=3 684 B16R2.179941 CC(=O)NNc1cccc2c1ccnc2 22a_100000716453_100000070787 [0,0,0,0,0,1|3,0,0]=4 685 B16R2.179941 CC(=O)NNc1cccc2c1nccc2 22a_100015200115_100000070787 [0,0,0,0,0,1|3,0,0]=4 686 B16R2.179941 CC(=O)NNc1ccnc2c1cccc2 22a_100020605206_100000070787 [0,0,0,0,0,1|3,0,0]=4 687 B16R2.179941 CC(=O)NNc1nccc2c1cccc2 22a_100015186920_100000070787 [0,0,0,0,0,1|3,0,0]=4 688 B16R2.179941 CC(C)CNc1cccc2c1cccc2 34a_100000185869_100000210624 [0,0,0,0,0,1|2,0,1]=4 689 B16R2.179941 CC(C)COc1cccc2c1cccc2 34a_100000210388_100000210624 [0,0,0,0,0,1|2,0,1]=4 690 B16R2.179941 CC(C)COc1cccc2c1cccc2 7a_100000210388_100000210760 [0,0,0,0,0,1|2,0,1]=4 691 B16R2.179941 CC(C)CSc1cccc2c1cccc2 62a_100000210624_100000210605 [0,0,0,0,0,1|2,0,1]=4 692 B16R2.179941 CC(C)NCc1cccc2c1cccc2 207a_100138425928_100000210074 [0,0,0,0,0,1|2,0,1]=4 693 B16R2.179941 CC(C)NCc1cccc2c1cccc2 2230a_100138425928_100011261445 [0,0,0,0,0,1|2,0,1]=4 694 B16R2.179941 CC(C)NCc1cccc2c1cccc2 34a_100000753325_100000210206 [0,0,0,0,0,1|2,0,1]=4 695 B16R2.179941 CC(C)NCc1cccc2c1cccc2 34a_100138425928_100011261445 [0,0,0,0,0,1|2,0,1]=4 696 B16R2.179941 CC(C)OCc1cccc2c1cccc2 34a_100000212225_100011261445 [0,0,0,0,0,1|2,0,1]=4 697 B16R2.179941 CC(C)OCc1cccc2c1cccc2 34a_100011216843_100000210206 [0,0,0,0,0,1|2,0,1]=4 698 B16R2.179941 CC(C)OCc1cccc2c1cccc2 7a_100011216843_100000210206 [0,0,0,0,0,1|2,0,1]=4 699 B16R2.179941 CC(C)SCc1cccc2c1cccc2 62a_100000210206_100000188474 [0,0,0,0,0,1|2,0,1]=4 700 B16R2.179941 CC(C)SCc1cccc2c1cccc2 62a_100011261445_100000210206 [0,0,0,0,0,1|2,0,1]=4 701 B16R2.179941 CC(O)C=Cc1cccc2c1cccc2 271570a_200011019289_100000210605 [0,0,0,0,0,1|1,0,2]=4 702 B16R2.179941 CC(O)CNc1cccc2c1cccc2 34a_100000185869_100011218427 [0,0,0,0,0,1|1,0,1]=3 703 B16R2.179941 CC(O)CNc1cccc2c1cccn2 27a_100000210904_100011290932 [0,0,0,0,0,1|2,0,1]=4 704 B16R2.179941 CC(O)CNc1cccc2c1cccn2 34a_100000183906_100011218427 [0,0,0,0,0,1|2,0,1]=4 705 B16R2.179941 CC(O)CNc1cccc2c1nccc2 34a_100000181377_100011218427 [0,0,0,0,0,1|2,0,1]=4 706 B16R2.179941 CC(O)CNc1ccnc2c1cccc2 27a_100000210904_100011215880 [0,0,0,0,0,1|2,0,1]=4 707 B16R2.179941 CC(O)CNc1nccc2c1cccc2 27a_100000210904_100011934041 [0,0,0,0,0,1|2,0,1]=4 708 B16R2.179941 CC(O)COc1cccc2c1cccc2 34a_100000210388_100011218427 [0,0,0,0,0,1|1,0,1]=3 709 B16R2.179941 CC(O)COc1cccc2c1cccc2 7a_100000210388_100011218427 [0,0,0,0,0,1|1,0,1]=3 710 B16R2.179941 CC(O)COc1cccc2c1cccn2 34a_100011197808_100011218427 [0,0,0,0,0,1|2,0,1]=4 711 B16R2.179941 CC(O)COc1cccc2c1ccnc2 34a_100011218533_100011218427 [0,0,0,0,0,1|2,0,1]=4 712 B16R2.179941 CC(O)COc1cccc2c1cncc2 34a_103624766955_100011218427 [0,0,0,0,0,1|2,0,1]=4 713 B16R2.179941 CC(O)COc1cccc2c1nccc2 34a_100000056035_100011218427 [0,0,0,0,0,1|2,0,1]=4 714 B16R2.179941 CC(O)COc1cncc2c1cccc2 34a_100000066178_100011218427 [0,0,0,0,0,1|2,0,1]=4 715 B16R2.179941 CC(O)COc1cncc2c1cccc2 7a_100000066178_100011218427 [0,0,0,0,0,1|2,0,1]=4 716 B16R2.179941 CC(O)COc1nccc2c1cccc2 34a_102531767632_100011218427 [0,0,0,0,0,1|2,0,1]=4 717 B16R2.179941 CC(O)CSc1cccc2c1cccc2 62a_100011218427_100000210605 [0,0,0,0,0,1|1,0,1]=3 718 B16R2.179941 CC(O)CSc1cccc2c1cccn2 62a_100011218427_100011290932 [0,0,0,0,0,1|2,0,1]=4 719 B16R2.179941 CC(O)CSc1cccc2c1cccn2 62a_100011290932_100011218427 [0,0,0,0,0,1|2,0,1]=4 720 B16R2.179941 CC(O)CSc1cccc2c1ccnc2 62a_100000186358_100011218427 [0,0,0,0,0,1|2,0,1]=4 721 B16R2.179941 CC(O)CSc1cccc2c1ccnc2 62a_100011218427_100000186358 [0,0,0,0,0,1|2,0,1]=4 722 B16R2.179941 CC(O)CSc1cccc2c1cncc2 62a_100000685578_100011218427 [0,0,0,0,0,1|2,0,1]=4 723 B16R2.179941 CC(O)CSc1cccc2c1cncc2 62a_100011218427_100000685578 [0,0,0,0,0,1|2,0,1]=4 724 B16R2.179941 CC(O)CSc1cccc2c1nccc2 62a_100011218427_100011215545 [0,0,0,0,0,1|2,0,1]=4 725 B16R2.179941 CC(O)CSc1ccnc2c1cccc2 62a_100011218427_100011215880 [0,0,0,0,0,1|2,0,1]=4 726 B16R2.179941 CC(O)CSc1ccnc2c1cccc2 62a_100011458314_100011218427 [0,0,0,0,0,1|2,0,1]=4 727 B16R2.179941 CC(O)CSc1cncc2c1cccc2 62a_100000187577_100011218427 [0,0,0,0,0,1|2,0,1]=4 728 B16R2.179941 CC(O)CSc1cncc2c1cccc2 62a_100011218427_100000187577 [0,0,0,0,0,1|2,0,1]=4 729 B16R2.179941 CC(O)CSc1nccc2c1cccc2 62a_100011218427_100011934041 [0,0,0,0,0,1|2,0,1]=4 730 B16R2.179941 CC(O)CSc1nccc2c1cccc2 62a_100011934041_100011218427 [0,0,0,0,0,1|2,0,1]=4 731 B16R2.179941 CN(C)CCc1cccc2c1cccc2 2230a_100102631434_100011290781 [0,0,0,0,0,1|3,0,0]=4 732 B16R2.179941 CN(C)CCc1cccc2c1cccc2 269982a_100102631434_100011290781 [0,0,0,0,0,1|3,0,0]=4 733 B16R2.179941 C[C@@H](O)CNc1cccc2c1cccc2 34a_100000185869_100009817552 [0,0,0,0,0,1|1,0,1]=3 734 B16R2.179941 C[C@@H](O)CNc1cccc2c1cccn2 34a_100000183906_100009817552 [0,0,0,0,0,1|2,0,1]=4 735 B16R2.179941 C[C@@H](O)CNc1cccc2c1nccc2 34a_100000181377_100009817552 [0,0,0,0,0,1|2,0,1]=4 736 B16R2.179941 C[C@@H](O)COc1cccc2c1cccc2 34a_100000210388_100009817552 [0,0,0,0,0,1|1,0,1]=3 737 B16R2.179941 C[C@@H](O)COc1cccc2c1cccc2 7a_100000210388_100009817552 [0,0,0,0,0,1|1,0,1]=3 738 B16R2.179941 C[C@@H](O)COc1cccc2c1cccn2 34a_100011197808_100009817552 [0,0,0,0,0,1|2,0,1]=4 739 B16R2.179941 C[C@@H](O)COc1cccc2c1ccnc2 34a_100011218533_100009817552 [0,0,0,0,0,1|2,0,1]=4 740 B16R2.179941 C[C@@H](O)COc1cccc2c1cncc2 34a_103624766955_100009817552 [0,0,0,0,0,1|2,0,1]=4 741 B16R2.179941 C[C@@H](O)COc1cccc2c1nccc2 34a_100000056035_100009817552 [0,0,0,0,0,1|2,0,1]=4 742 B16R2.179941 C[C@@H](O)COc1cncc2c1cccc2 34a_100000066178_100009817552 [0,0,0,0,0,1|2,0,1]=4 743 B16R2.179941 C[C@@H](O)COc1cncc2c1cccc2 7a_100000066178_100009817552 [0,0,0,0,0,1|2,0,1]=4 744 B16R2.179941 C[C@@H](O)COc1nccc2c1cccc2 34a_102531767632_100009817552 [0,0,0,0,0,1|2,0,1]=4 745 B16R2.179941 C[C@@H](O)CSc1cccc2c1cccc2 62a_100009817552_100000210605 [0,0,0,0,0,1|1,0,1]=3 746 B16R2.179941 C[C@@H](O)CSc1cccc2c1cccn2 62a_100009817552_100011290932 [0,0,0,0,0,1|2,0,1]=4 747 B16R2.179941 C[C@@H](O)CSc1cccc2c1cccn2 62a_100011290932_100009817552 [0,0,0,0,0,1|2,0,1]=4 748 B16R2.179941 C[C@@H](O)CSc1cccc2c1ccnc2 62a_100000186358_100009817552 [0,0,0,0,0,1|2,0,1]=4 749 B16R2.179941 C[C@@H](O)CSc1cccc2c1ccnc2 62a_100009817552_100000186358 [0,0,0,0,0,1|2,0,1]=4 750 B16R2.179941 C[C@@H](O)CSc1cccc2c1cncc2 62a_100000685578_100009817552 [0,0,0,0,0,1|2,0,1]=4 751 B16R2.179941 C[C@@H](O)CSc1cccc2c1cncc2 62a_100009817552_100000685578 [0,0,0,0,0,1|2,0,1]=4 752 B16R2.179941 C[C@@H](O)CSc1cccc2c1nccc2 62a_100009817552_100011215545 [0,0,0,0,0,1|2,0,1]=4 753 B16R2.179941 C[C@@H](O)CSc1ccnc2c1cccc2 62a_100009817552_100011215880 [0,0,0,0,0,1|2,0,1]=4 754 B16R2.179941 C[C@@H](O)CSc1ccnc2c1cccc2 62a_100011458314_100009817552 [0,0,0,0,0,1|2,0,1]=4 755 B16R2.179941 C[C@@H](O)CSc1cncc2c1cccc2 62a_100000187577_100009817552 [0,0,0,0,0,1|2,0,1]=4 756 B16R2.179941 C[C@@H](O)CSc1cncc2c1cccc2 62a_100009817552_100000187577 [0,0,0,0,0,1|2,0,1]=4 757 B16R2.179941 C[C@@H](O)CSc1nccc2c1cccc2 62a_100009817552_100011934041 [0,0,0,0,0,1|2,0,1]=4 758 B16R2.179941 C[C@@H](O)CSc1nccc2c1cccc2 62a_100011934041_100009817552 [0,0,0,0,0,1|2,0,1]=4 759 B16R2.179941 FC(F)CNc1cccc2c1cccc2 34a_100000185869_100011934356 [0,0,0,0,0,1|2,0,1]=4 760 B16R2.179941 FC(F)COc1cccc2c1cccc2 34a_100000210388_100011934356 [0,0,0,0,0,1|2,0,1]=4 761 B16R2.179941 FC(F)COc1cccc2c1cccc2 7a_100000210388_100011934356 [0,0,0,0,0,1|2,0,1]=4 762 B16R2.179941 FC(F)CSc1cccc2c1cccc2 62a_100011934356_100000210605 [0,0,0,0,0,1|2,0,1]=4 763 B16R2.179941 NC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000187820 [0,0,0,0,0,1|1,0,0]=2 764 B16R2.179941 NC(=O)CNc1cccc2c1cccn2 34a_100000183906_100000187820 [0,0,0,0,0,1|2,0,0]=3 765 B16R2.179941 NC(=O)CNc1cccc2c1nccc2 34a_100000181377_100000187820 [0,0,0,0,0,1|2,0,0]=3 766 B16R2.179941 NC(=O)COc1cccc2c1CC=CC2 34a_100000074931_100000187820 [0,0,0,0,0,1|1,0,2]=4 767 B16R2.179941 NC(=O)COc1cccc2c1CC=CC2 7a_100000074931_100000187820 [0,0,0,0,0,1|1,0,2]=4 768 B16R2.179941 NC(=O)COc1cccc2c1cccc2 34a_100000210388_100000187820 [0,0,0,0,0,1|1,0,0]=2 769 B16R2.179941 NC(=O)COc1cccc2c1cccc2 7a_100000210388_100000187820 [0,0,0,0,0,1|1,0,0]=2 770 B16R2.179941 NC(=O)COc1cccc2c1cccn2 34a_100011197808_100000187820 [0,0,0,0,0,1|2,0,0]=3 771 B16R2.179941 NC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000187820 [0,0,0,0,0,1|2,0,0]=3 772 B16R2.179941 NC(=O)COc1cccc2c1cncc2 34a_103624766955_100000187820 [0,0,0,0,0,1|2,0,0]=3 773 B16R2.179941 NC(=O)COc1cccc2c1nccc2 34a_100000056035_100000187820 [0,0,0,0,0,1|2,0,0]=3 774 B16R2.179941 NC(=O)COc1cccc2c1nccn2 34a_100000077048_100000187820 [0,0,0,0,0,1|3,0,0]=4 775 B16R2.179941 NC(=O)COc1cccc2c1ncnc2 34a_200000077003_100000187820 [0,0,0,0,0,1|3,0,0]=4 776 B16R2.179941 NC(=O)COc1cncc2c1cccc2 34a_100000066178_100000187820 [0,0,0,0,0,1|2,0,0]=3 777 B16R2.179941 NC(=O)COc1cncc2c1cccc2 7a_100000066178_100000187820 [0,0,0,0,0,1|2,0,0]=3 778 B16R2.179941 NC(=O)COc1nccc2c1cccc2 34a_102531767632_100000187820 [0,0,0,0,0,1|2,0,0]=3 779 B16R2.179941 NC(=O)CSc1cccc2c1cccc2 62a_100000747473_100000210605 [0,0,0,0,0,1|1,0,0]=2 780 B16R2.179941 NC(=O)CSc1cccc2c1cccn2 62a_100000747473_100011290932 [0,0,0,0,0,1|2,0,0]=3 781 B16R2.179941 NC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000747473 [0,0,0,0,0,1|2,0,0]=3 782 B16R2.179941 NC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000747473 [0,0,0,0,0,1|2,0,0]=3 783 B16R2.179941 NC(=O)CSc1cccc2c1ccnc2 62a_100000747473_100000186358 [0,0,0,0,0,1|2,0,0]=3 784 B16R2.179941 NC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000747473 [0,0,0,0,0,1|2,0,0]=3 785 B16R2.179941 NC(=O)CSc1cccc2c1cncc2 62a_100000747473_100000685578 [0,0,0,0,0,1|2,0,0]=3 786 B16R2.179941 NC(=O)CSc1cccc2c1cncn2 62a_100000747473_100009814520 [0,0,0,0,0,1|3,0,0]=4 787 B16R2.179941 NC(=O)CSc1cccc2c1cncn2 62a_100009814520_100000747473 [0,0,0,0,0,1|3,0,0]=4 788 B16R2.179941 NC(=O)CSc1cccc2c1nccc2 62a_100000747473_100011215545 [0,0,0,0,0,1|2,0,0]=3 789 B16R2.179941 NC(=O)CSc1cccc2c1nccn2 62a_100000747473_100010003881 [0,0,0,0,0,1|3,0,0]=4 790 B16R2.179941 NC(=O)CSc1cccc2c1nccn2 62a_100010003881_100000747473 [0,0,0,0,0,1|3,0,0]=4 791 B16R2.179941 NC(=O)CSc1cccc2c1ncnc2 62a_100000747473_100010246313 [0,0,0,0,0,1|3,0,0]=4 792 B16R2.179941 NC(=O)CSc1cccc2c1ncnc2 62a_100010246313_100000747473 [0,0,0,0,0,1|3,0,0]=4 793 B16R2.179941 NC(=O)CSc1ccnc2c1cccc2 62a_100000747473_100011215880 [0,0,0,0,0,1|2,0,0]=3 794 B16R2.179941 NC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747473 [0,0,0,0,0,1|2,0,0]=3 795 B16R2.179941 NC(=O)CSc1ccnc2c1cccn2 62a_100000087570_100000747473 [0,0,0,0,0,1|3,0,0]=4 796 B16R2.179941 NC(=O)CSc1ccnc2c1cccn2 62a_100000747473_100000087570 [0,0,0,0,0,1|3,0,0]=4 797 B16R2.179941 NC(=O)CSc1ccnc2c1cncc2 62a_100000095135_100000747473 [0,0,0,0,0,1|3,0,0]=4 798 B16R2.179941 NC(=O)CSc1ccnc2c1cncc2 62a_100000747473_100000095135 [0,0,0,0,0,1|3,0,0]=4 799 B16R2.179941 NC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747473 [0,0,0,0,0,1|2,0,0]=3 800 B16R2.179941 NC(=O)CSc1cncc2c1cccc2 62a_100000747473_100000187577 [0,0,0,0,0,1|2,0,0]=3 801 B16R2.179941 NC(=O)CSc1cncc2c1cccn2 62a_100000747473_100010211308 [0,0,0,0,0,1|3,0,0]=4 802 B16R2.179941 NC(=O)CSc1cncc2c1cccn2 62a_100010211308_100000747473 [0,0,0,0,0,1|3,0,0]=4 803 B16R2.179941 NC(=O)CSc1cncc2c1ccnc2 62a_100000747473_100010134378 [0,0,0,0,0,1|3,0,0]=4 804 B16R2.179941 NC(=O)CSc1cncc2c1ccnc2 62a_100010134378_100000747473 [0,0,0,0,0,1|3,0,0]=4 805 B16R2.179941 NC(=O)CSc1cnnc2c1cccc2 62a_100000747473_100000063506 [0,0,0,0,0,1|3,0,0]=4 806 B16R2.179941 NC(=O)CSc1nccc2c1cccc2 62a_100000747473_100011934041 [0,0,0,0,0,1|2,0,0]=3 807 B16R2.179941 NC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747473 [0,0,0,0,0,1|2,0,0]=3 808 B16R2.179941 NC(=O)CSc1nccc2c1cccn2 62a_100000747473_100000077681 [0,0,0,0,0,1|3,0,0]=4 809 B16R2.179941 NC(=O)CSc1nccc2c1cncc2 62a_100000747473_100000116921 [0,0,0,0,0,1|3,0,0]=4 810 B16R2.179941 NC(=O)CSc1nccc2c1cncc2 62a_200010063730_100000747473 [0,0,0,0,0,1|3,0,0]=4 811 B16R2.179941 NC(=O)CSc1nccc2c1nccc2 62a_100000747473_100010063729 [0,0,0,0,0,1|3,0,0]=4 812 B16R2.179941 NC(=O)CSc1ncnc2c1cccc2 62a_100000747473_100000217608 [0,0,0,0,0,1|3,0,0]=4 813 B16R2.179941 NC(=O)CSc1ncnc2c1cccc2 62a_100000753007_100000747473 [0,0,0,0,0,1|3,0,0]=4 814 B16R2.179941 NC(=O)CSc1nncc2c1cccc2 62a_100000747473_100025712358 [0,0,0,0,0,1|3,0,0]=4 815 B16R2.179941 O=C([O-])CNc1cccc2c1cccc2 34a_100000185869_100020667443 [0,0,0,0,0,1|0,0,1]=2 816 B16R2.179941 O=C([O-])CNc1cccc2c1cccn2 34a_100000183906_100020667443 [0,0,0,0,0,1|1,0,1]=3 817 B16R2.179941 O=C([O-])CNc1cccc2c1nccc2 34a_100000181377_100020667443 [0,0,0,0,0,1|1,0,1]=3 818 B16R2.179941 O=C([O-])COc1cccc2c1CC=CC2 34a_100000074931_100020667443 [0,0,0,0,0,1|0,0,3]=4 819 B16R2.179941 O=C([O-])COc1cccc2c1cccc2 34a_100000210388_100020667443 [0,0,0,0,0,1|0,0,1]=2 820 B16R2.179941 O=C([O-])COc1cccc2c1cccn2 34a_100011197808_100020667443 [0,0,0,0,0,1|1,0,1]=3 821 B16R2.179941 O=C([O-])COc1cccc2c1ccnc2 34a_100011218533_100020667443 [0,0,0,0,0,1|1,0,1]=3 822 B16R2.179941 O=C([O-])COc1cccc2c1cncc2 34a_103624766955_100020667443 [0,0,0,0,0,1|1,0,1]=3 823 B16R2.179941 O=C([O-])COc1cccc2c1nccc2 34a_100000056035_100020667443 [0,0,0,0,0,1|1,0,1]=3 824 B16R2.179941 O=C([O-])COc1cccc2c1nccn2 34a_100000077048_100020667443 [0,0,0,0,0,1|2,0,1]=4 825 B16R2.179941 O=C([O-])COc1cccc2c1ncnc2 34a_200000077003_100020667443 [0,0,0,0,0,1|2,0,1]=4 826 B16R2.179941 O=C([O-])COc1cncc2c1cccc2 34a_100000066178_100020667443 [0,0,0,0,0,1|1,0,1]=3 827 B16R2.179941 O=C([O-])COc1nccc2c1cccc2 34a_102531767632_100020667443 [0,0,0,0,0,1|1,0,1]=3 828 B16R2.179941 O=C([O-])CSc1cccc2c1cccc2 62a_100020667443_100000210605 [0,0,0,0,0,1|0,0,1]=2 829 B16R2.179941 O=C([O-])CSc1cccc2c1cccn2 62a_100011290932_100020667443 [0,0,0,0,0,1|1,0,1]=3 830 B16R2.179941 O=C([O-])CSc1cccc2c1cccn2 62a_100020667443_100011290932 [0,0,0,0,0,1|1,0,1]=3 831 B16R2.179941 O=C([O-])CSc1cccc2c1ccnc2 62a_100000186358_100020667443 [0,0,0,0,0,1|1,0,1]=3 832 B16R2.179941 O=C([O-])CSc1cccc2c1ccnc2 62a_100020667443_100000186358 [0,0,0,0,0,1|1,0,1]=3 833 B16R2.179941 O=C([O-])CSc1cccc2c1cncc2 62a_100000685578_100020667443 [0,0,0,0,0,1|1,0,1]=3 834 B16R2.179941 O=C([O-])CSc1cccc2c1cncc2 62a_100020667443_100000685578 [0,0,0,0,0,1|1,0,1]=3 835 B16R2.179941 O=C([O-])CSc1cccc2c1cncn2 62a_100009814520_100020667443 [0,0,0,0,0,1|2,0,1]=4 836 B16R2.179941 O=C([O-])CSc1cccc2c1cncn2 62a_100020667443_100009814520 [0,0,0,0,0,1|2,0,1]=4 837 B16R2.179941 O=C([O-])CSc1cccc2c1nccc2 62a_100020667443_100011215545 [0,0,0,0,0,1|1,0,1]=3 838 B16R2.179941 O=C([O-])CSc1cccc2c1nccn2 62a_100010003881_100020667443 [0,0,0,0,0,1|2,0,1]=4 839 B16R2.179941 O=C([O-])CSc1cccc2c1nccn2 62a_100020667443_100010003881 [0,0,0,0,0,1|2,0,1]=4 840 B16R2.179941 O=C([O-])CSc1cccc2c1ncnc2 62a_100010246313_100020667443 [0,0,0,0,0,1|2,0,1]=4 841 B16R2.179941 O=C([O-])CSc1cccc2c1ncnc2 62a_100020667443_100010246313 [0,0,0,0,0,1|2,0,1]=4 842 B16R2.179941 O=C([O-])CSc1ccnc2c1cccc2 62a_100011458314_100020667443 [0,0,0,0,0,1|1,0,1]=3 843 B16R2.179941 O=C([O-])CSc1ccnc2c1cccc2 62a_100020667443_100011215880 [0,0,0,0,0,1|1,0,1]=3 844 B16R2.179941 O=C([O-])CSc1ccnc2c1cccn2 62a_100000087570_100020667443 [0,0,0,0,0,1|2,0,1]=4 845 B16R2.179941 O=C([O-])CSc1ccnc2c1cccn2 62a_100020667443_100000087570 [0,0,0,0,0,1|2,0,1]=4 846 B16R2.179941 O=C([O-])CSc1ccnc2c1cncc2 62a_100000095135_100020667443 [0,0,0,0,0,1|2,0,1]=4 847 B16R2.179941 O=C([O-])CSc1ccnc2c1cncc2 62a_100020667443_100000095135 [0,0,0,0,0,1|2,0,1]=4 848 B16R2.179941 O=C([O-])CSc1cncc2c1cccc2 62a_100000187577_100020667443 [0,0,0,0,0,1|1,0,1]=3 849 B16R2.179941 O=C([O-])CSc1cncc2c1cccc2 62a_100020667443_100000187577 [0,0,0,0,0,1|1,0,1]=3 850 B16R2.179941 O=C([O-])CSc1cncc2c1cccn2 62a_100010211308_100020667443 [0,0,0,0,0,1|2,0,1]=4 851 B16R2.179941 O=C([O-])CSc1cncc2c1cccn2 62a_100020667443_100010211308 [0,0,0,0,0,1|2,0,1]=4 852 B16R2.179941 O=C([O-])CSc1cncc2c1ccnc2 62a_100010134378_100020667443 [0,0,0,0,0,1|2,0,1]=4 853 B16R2.179941 O=C([O-])CSc1cncc2c1ccnc2 62a_100020667443_100010134378 [0,0,0,0,0,1|2,0,1]=4 854 B16R2.179941 O=C([O-])CSc1cnnc2c1cccc2 62a_100020667443_100000063506 [0,0,0,0,0,1|2,0,1]=4 855 B16R2.179941 O=C([O-])CSc1nccc2c1cccc2 62a_100011934041_100020667443 [0,0,0,0,0,1|1,0,1]=3 856 B16R2.179941 O=C([O-])CSc1nccc2c1cccc2 62a_100020667443_100011934041 [0,0,0,0,0,1|1,0,1]=3 857 B16R2.179941 O=C([O-])CSc1nccc2c1cccn2 62a_100020667443_100000077681 [0,0,0,0,0,1|2,0,1]=4 858 B16R2.179941 O=C([O-])CSc1nccc2c1cncc2 62a_100020667443_100000116921 [0,0,0,0,0,1|2,0,1]=4 859 B16R2.179941 O=C([O-])CSc1nccc2c1cncc2 62a_200010063730_100020667443 [0,0,0,0,0,1|2,0,1]=4 860 B16R2.179941 O=C([O-])CSc1nccc2c1nccc2 62a_100020667443_100010063729 [0,0,0,0,0,1|2,0,1]=4 861 B16R2.179941 O=C([O-])CSc1ncnc2c1cccc2 62a_100000753007_100020667443 [0,0,0,0,0,1|2,0,1]=4 862 B16R2.179941 O=C([O-])CSc1ncnc2c1cccc2 62a_100020667443_100000217608 [0,0,0,0,0,1|2,0,1]=4 863 B16R2.179941 O=C([O-])CSc1nncc2c1cccc2 62a_100020667443_100025712358 [0,0,0,0,0,1|2,0,1]=4 864 B16R2.179941 O=[N+]([O-])CNc1cccc2c1cccc2 34a_100000185869_100000761209 [0,0,0,0,0,1|1,0,1]=3 865 B16R2.179941 O=[N+]([O-])CNc1cccc2c1cccn2 34a_100000183906_100000761209 [0,0,0,0,0,1|2,0,1]=4 866 B16R2.179941 O=[N+]([O-])CNc1cccc2c1nccc2 34a_100000181377_100000761209 [0,0,0,0,0,1|2,0,1]=4 867 B16R2.179941 O=[N+]([O-])COc1cccc2c1cccc2 34a_100000210388_100000761209 [0,0,0,0,0,1|1,0,1]=3 868 B16R2.179941 O=[N+]([O-])COc1cccc2c1cccn2 34a_100011197808_100000761209 [0,0,0,0,0,1|2,0,1]=4 869 B16R2.179941 O=[N+]([O-])COc1cccc2c1ccnc2 34a_100011218533_100000761209 [0,0,0,0,0,1|2,0,1]=4 870 B16R2.179941 O=[N+]([O-])COc1cccc2c1cncc2 34a_103624766955_100000761209 [0,0,0,0,0,1|2,0,1]=4 871 B16R2.179941 O=[N+]([O-])COc1cccc2c1nccc2 34a_100000056035_100000761209 [0,0,0,0,0,1|2,0,1]=4 872 B16R2.179941 O=[N+]([O-])COc1cncc2c1cccc2 34a_100000066178_100000761209 [0,0,0,0,0,1|2,0,1]=4 873 B16R2.179941 O=[N+]([O-])COc1nccc2c1cccc2 34a_102531767632_100000761209 [0,0,0,0,0,1|2,0,1]=4 874 B16R2.179941 O=[N+]([O-])CSc1cccc2c1cccn2 62a_100011290932_100000761209 [0,0,0,0,0,1|2,0,1]=4 875 B16R2.179941 O=[N+]([O-])CSc1cccc2c1ccnc2 62a_100000186358_100000761209 [0,0,0,0,0,1|2,0,1]=4 876 B16R2.179941 O=[N+]([O-])CSc1cccc2c1cncc2 62a_100000685578_100000761209 [0,0,0,0,0,1|2,0,1]=4 877 B16R2.179941 O=[N+]([O-])CSc1ccnc2c1cccc2 62a_100011458314_100000761209 [0,0,0,0,0,1|2,0,1]=4 878 B16R2.179941 O=[N+]([O-])CSc1cncc2c1cccc2 62a_100000187577_100000761209 [0,0,0,0,0,1|2,0,1]=4 879 B16R2.179941 O=[N+]([O-])CSc1nccc2c1cccc2 62a_100011934041_100000761209 [0,0,0,0,0,1|2,0,1]=4 880 B16R2.179941 [13CH3]C(=O)C=Cc1cccc2c1cccc2 1458a_100000735324_200025704644 [0,0,0,0,0,1|1,0,1]=3 881 B16R2.179941 [13CH3]C(=O)C=Cc1cccc2c1nccc2 1458a_100000735392_200025704644 [0,0,0,0,0,1|2,0,1]=4 882 B16R2.179941 [13CH3]C(=O)CCc1cccc2c1cccc2 1458a_100011218451_200025704644 [0,0,0,0,0,1|1,0,0]=2 883 B16R2.179941 [13CH3]C(=O)COc1cccc2c1cccc2 1458a_100000183701_200025704644 [0,0,0,0,0,1|1,0,0]=2 884 B16R2.179941 [13CH3]C(=O)COc1cccc2c1nccc2 1458a_100000182336_200025704644 [0,0,0,0,0,1|2,0,0]=3 885 B16R2.179941 [13CH3]C(=O)COc1ncnc2c1cccc2 1458a_100000216300_200025704644 [0,0,0,0,0,1|3,0,0]=4 886 B13R1.28 O=CCNC/C=C/c1ccccc1 2230a_100020603302_200015260668 [1,0,1,0,0,0|1,0,1]=4 887 B13R1.28 O=CCNC/C=C/c1ccccc1 34a_100020603302_200009817547 [1,0,1,0,0,0|1,0,1]=4 888 B13R1.28 O=CCOC/C=C/c1ccccc1 34a_100000210256_200009817547 [1,0,1,0,0,0|1,0,1]=4 889 B13R1.28 O=CCSC/C=C/c1ccccc1 62a_100016265936_200015260668 [1,0,1,0,0,0|1,0,1]=4 890 B13R1.28 O=CCSC/C=C/c1ccccc1 62a_200015260668_100016265936 [1,0,1,0,0,0|1,0,1]=4 891 B13R1.373 C=C=Cc1cccc(c1)CC(=O)C 271570a_100015277604_100000689217 [1,0,1,0,0,0|1,0,1]=4 892 B13R1.373 C=C=Cc1cccc(c1)CC(=O)N 271570a_100015277604_100011586816 [1,0,1,0,0,0|1,0,1]=4 893 B13R1.373 CC=Cc1cccc(c1)CC(=O)C 271570a_100016259895_100000689217 [1,0,1,0,0,0|1,0,1]=4 894 B13R1.373 CC=Cc1cccc(c1)CC(=O)N 271570a_100016259895_100011586816 [1,0,1,0,0,0|1,0,1]=4 895 B13R1.90 C=Cc1ccccc1CCC(=O)N 271570a_100011290941_100009814947 [1,0,1,0,0,0|1,0,1]=4 896 B13R1.90 C=Cc1ccccc1NCC(=O)N 34a_100012022501_100000187820 [1,0,1,0,0,0|2,0,0]=4 897 B13R1.90 C=Cc1ccccc1NCC(=O)[O-] 34a_100012022501_100020667443 [1,0,1,0,0,0|1,0,1]=4 898 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [1,0,1,0,0,0|2,0,0]=4 899 B13R1.90 C=Cc1ccccc1SCC(=O)N 62a_100000747473_100011218376 [1,0,1,0,0,0|2,0,0]=4 900 B13R1.90 C=Cc1ccccc1SCC(=O)N 62a_100011218376_100000747473 [1,0,1,0,0,0|2,0,0]=4 901 B13R1.90 C=Cc1ccccc1SCC(=O)[O-] 62a_100011218376_100020667443 [1,0,1,0,0,0|1,0,1]=4 902 B13R1.90 C=Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100011218376 [1,0,1,0,0,0|1,0,1]=4 903 B13R1.485 C/C=C/c1ccccc1OCC=O 34a_200000189419_200009817547 [1,0,1,0,0,0|1,0,1]=4 904 B13R1.485 C/C=C/c1ccccc1OCC=O 7a_200000189419_200015260668 [1,0,1,0,0,0|1,0,1]=4 905 B13R1.485 C=C=Cc1ccccc1CCC=O 271570a_100015277604_100011713448 [1,0,1,0,0,0|0,0,2]=4 906 B13R1.485 C=CCc1ccccc1NCC=O 2230a_200138433279_200015260668 [1,0,1,0,0,0|1,0,1]=4 907 B13R1.485 C=CCc1ccccc1NCC=O 34a_200138433279_200009817547 [1,0,1,0,0,0|1,0,1]=4 908 B13R1.485 C=CCc1ccccc1OCC=O 34a_100000211836_200009817547 [1,0,1,0,0,0|1,0,1]=4 909 B13R1.485 C=CCc1ccccc1OCC=O 7a_100000211836_200015260668 [1,0,1,0,0,0|1,0,1]=4 910 B13R1.485 C=CCc1ccccc1SCC=O 62a_100009828059_200015260668 [1,0,1,0,0,0|1,0,1]=4 911 B13R1.485 C=CCc1ccccc1SCC=O 62a_200015260668_100009828059 [1,0,1,0,0,0|1,0,1]=4 912 B13R1.485 CC=Cc1ccccc1CCC=O 271570a_100016259895_100011713448 [1,0,1,0,0,0|0,0,2]=4 913 B13R1.398 C=CCN(CC=O)c1ccccc1 2230a_100000211662_200015260668 [1,0,1,0,0,0|1,0,1]=4 914 B13R1.398 C=CCN(CC=O)c1ccccc1 269982a_100000211662_200015260668 [1,0,1,0,0,0|1,0,1]=4 915 B13R1.398 C=CCN(CC=O)c1ccccc1 34a_100000211662_200009817547 [1,0,1,0,0,0|1,0,1]=4 916 B13R1.567 C=CCSc1cccc(c1)CC=O 62a_100000210623_200000698211 [1,0,1,0,0,0|1,0,1]=4 917 B13R1.567 C=CCSc1cccc(c1)CC=O 62a_200000698211_100000210623 [1,0,1,0,0,0|1,0,1]=4 918 B13R1.380 C=C=Cc1ccccc1CC(=O)C 271570a_100015277604_100011350739 [1,0,1,0,0,0|1,0,1]=4 919 B13R1.380 C=C=Cc1ccccc1CC(=O)N 271570a_100015277604_200009814924 [1,0,1,0,0,0|1,0,1]=4 920 B13R1.380 CC=Cc1ccccc1CC(=O)C 271570a_100016259895_100011350739 [1,0,1,0,0,0|1,0,1]=4 921 B13R1.380 CC=Cc1ccccc1CC(=O)N 271570a_100016259895_200009814924 [1,0,1,0,0,0|1,0,1]=4 922 B13R1.464 C=CCC(=O)c1ccccc1C=C 1458a_100011830265_100000210623 [1,0,1,0,0,0|2,0,0]=4 923 B13R1.464 C=Cc1ccccc1C(=O)CCO 1458a_100011830265_100000211926 [1,0,1,0,0,0|1,0,1]=4 924 B13R1.115 C=Cc1c(cccc1CC(=O)N)C 271570a_100011290941_100011096275 [1,0,1,0,0,0|1,0,1]=4 925 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [2,0,0,0,0,0|0,0,1]=3 926 B13R2.1613 C=Cc1cccc2c1cccn2 271570a_100011290941_100011290932 [2,0,0,0,0,0|1,0,1]=4 927 B13R2.1613 C=Cc1cccc2c1ccnc2 271570a_100011290941_100000186358 [2,0,0,0,0,0|1,0,1]=4 928 B13R2.1613 C=Cc1cccc2c1cncc2 271570a_100011290941_100000685578 [2,0,0,0,0,0|1,0,1]=4 929 B13R2.1613 C=Cc1cccc2c1nccc2 271570a_100011290941_100011215545 [2,0,0,0,0,0|1,0,1]=4 930 B13R2.1613 C=Cc1ccnc2c1cccc2 271570a_100011290941_100011215880 [2,0,0,0,0,0|1,0,1]=4 931 B13R2.1613 C=Cc1cncc2c1cccc2 271570a_100011290941_100000187577 [2,0,0,0,0,0|1,0,1]=4 932 B13R2.1613 C=Cc1nccc2c1cccc2 271570a_100011290941_100011934041 [2,0,0,0,0,0|1,0,1]=4 933 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [2,0,0,0,0,0|1,0,1]=4 934 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [2,0,0,0,0,0|1,0,1]=4 935 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [2,0,0,0,0,0|1,0,1]=4 936 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [2,0,0,0,0,0|1,0,1]=4 937 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [2,0,0,0,0,0|1,0,1]=4 938 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [2,0,0,0,0,0|1,0,1]=4 939 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [2,0,0,0,0,0|1,0,1]=4 940 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [2,0,0,0,0,0|1,0,1]=4 941 B15R1.962 COC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747449 [0,1,1,0,0,0|1,0,1]=4 942 B15R1.962 COC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000747449 [0,1,1,0,0,0|1,0,1]=4 943 B15R1.962 COC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000747449 [0,1,1,0,0,0|1,0,1]=4 944 B15R1.962 COC(=O)CSC/C=C/c1ccccc1 62a_100000747449_100016265936 [0,1,1,0,0,0|1,0,1]=4 945 B15R1.962 COC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747449 [0,1,1,0,0,0|1,0,1]=4 946 B15R1.3664 C[C@H](NC/C=C/c1ccccc1)C(=O)O 269956a_100000743915_100016265936 [0,1,1,0,0,0|1,0,1]=4 947 B15R1.5919 CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200000210301 [0,1,1,0,0,0|2,0,0]=4 948 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccc1 11a_100000711301_100000210462 [0,1,1,0,0,0|2,0,0]=4 949 B15R1.5919 [13CH3]C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200025704644 [0,1,1,0,0,0|2,0,0]=4 950 B15R1.9084 CN(C/C=C/c1ccccc1)CC(=O)O 269956a_100000746989_100016265936 [0,1,1,0,0,0|1,0,1]=4 951 B15R1.9084 NC(=O)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000187820 [0,1,1,0,0,0|1,0,1]=4 952 B15R1.9084 NC(=O)CC(=O)C/C=C/c1ccccc1 1458a_100134613110_100016265936 [0,1,1,0,0,0|1,0,1]=4 953 B15R1.9084 NC(=O)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000187820 [0,1,1,0,0,0|2,0,0]=4 954 B15R1.9084 O=C([O-])CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100020667443 [0,1,1,0,0,0|0,0,2]=4 955 B15R1.9084 O=C([O-])CC(=O)C=CSc1ccccc1 1458a_100016262050_100020667443 [0,1,1,0,0,0|1,0,1]=4 956 B15R1.575 C=C=Cc1cccc(c1F)CC(=O)OC 271570a_100015277604_100010741560 [0,1,1,0,0,0|1,0,1]=4 957 B15R1.575 C=C=Cc1cccc(c1O)CC(=O)OC 271570a_100015277604_100010150830 [0,1,1,0,0,0|1,0,1]=4 958 B15R1.575 CC=Cc1cccc(c1F)CC(=O)OC 271570a_100016259895_100010741560 [0,1,1,0,0,0|1,0,1]=4 959 B15R1.575 CC=Cc1cccc(c1O)CC(=O)OC 271570a_100016259895_100010150830 [0,1,1,0,0,0|1,0,1]=4 960 B15R1.271 C=C=Cc1ccccc1C(=O)CC(=O)C 271570a_100015277604_200011243946 [0,1,1,0,0,0|1,0,1]=4 961 B15R1.271 CC=Cc1ccccc1C(=O)CC(=O)C 271570a_100016259895_200011243946 [0,1,1,0,0,0|1,0,1]=4 962 B15R1.273 C/C=C/c1ccccc1OCC(=O)OC 34a_200000189419_100000747449 [0,1,1,0,0,0|1,0,1]=4 963 B15R1.273 C/C=C/c1ccccc1OCC(=O)OC 7a_200000189419_100000747449 [0,1,1,0,0,0|1,0,1]=4 964 B15R1.273 C=C=Cc1ccccc1/C=C/C(=O)OC 271570a_100015277604_100000151022 [0,1,1,0,0,0|0,0,2]=4 965 B15R1.273 C=C=Cc1ccccc1CCC(=O)OC 271570a_100015277604_100009815308 [0,1,1,0,0,0|0,0,2]=4 966 B15R1.273 C=C=Cc1ccccc1OCC(=O)OC 271570a_100015277604_200000173920 [0,1,1,0,0,0|1,0,1]=4 967 B15R1.273 C=CCc1ccccc1NCC(=O)OC 2230a_200138433279_100000747449 [0,1,1,0,0,0|1,0,1]=4 968 B15R1.273 C=CCc1ccccc1NCC(=O)OC 34a_200138433279_100000747449 [0,1,1,0,0,0|1,0,1]=4 969 B15R1.273 C=CCc1ccccc1OCC(=O)OC 34a_100000211836_100000747449 [0,1,1,0,0,0|1,0,1]=4 970 B15R1.273 C=CCc1ccccc1OCC(=O)OC 7a_100000211836_100000747449 [0,1,1,0,0,0|1,0,1]=4 971 B15R1.273 C=CCc1ccccc1SCC(=O)OC 62a_100000747449_100009828059 [0,1,1,0,0,0|1,0,1]=4 972 B15R1.273 C=CCc1ccccc1SCC(=O)OC 62a_100009828059_100000747449 [0,1,1,0,0,0|1,0,1]=4 973 B15R1.273 CC=Cc1ccccc1/C=C/C(=O)OC 271570a_100016259895_100000151022 [0,1,1,0,0,0|0,0,2]=4 974 B15R1.273 CC=Cc1ccccc1CCC(=O)OC 271570a_100016259895_100009815308 [0,1,1,0,0,0|0,0,2]=4 975 B15R1.273 CC=Cc1ccccc1OCC(=O)OC 271570a_100016259895_200000173920 [0,1,1,0,0,0|1,0,1]=4 976 B15R1.1051 NC(=O)CSc1ccccc1/C=C/C=O 62a_100000747473_200016268969 [0,1,1,0,0,0|2,0,0]=4 977 B15R1.1051 NC(=O)CSc1ccccc1/C=C/C=O 62a_200016268969_100000747473 [0,1,1,0,0,0|2,0,0]=4 978 B15R1.1051 O=C/C=C/c1ccccc1SCC(=O)[O-] 62a_100020667443_200016268969 [0,1,1,0,0,0|1,0,1]=4 979 B15R1.1051 O=C/C=C/c1ccccc1SCC(=O)[O-] 62a_200016268969_100020667443 [0,1,1,0,0,0|1,0,1]=4 980 B15R1.152 C/C=C/CN(CC(=O)O)c1ccccc1 269956a_100000212060_100102629194 [0,1,1,0,0,0|1,0,1]=4 981 B15R1.152 C=CCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000754431 [0,1,1,0,0,0|1,0,1]=4 982 B15R1.152 C=CCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210623 [0,1,1,0,0,0|0,0,2]=4 983 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210623 [0,1,1,0,0,0|1,0,1]=4 984 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210623 [0,1,1,0,0,0|1,0,1]=4 985 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210623 [0,1,1,0,0,0|1,0,1]=4 986 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210623 [0,1,1,0,0,0|1,0,1]=4 987 B15R1.626 C=CCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100000210623 [0,1,1,0,0,0|1,0,1]=4 988 B15R1.626 C=CCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100000210623 [0,1,1,0,0,0|1,0,1]=4 989 B15R1.635 C=CCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000210623 [0,1,1,0,0,0|1,0,1]=4 990 B15R1.3197 C=CC(=O)N(CC(=O)N)c1ccccc1 1626a_100000212578_100000185746 [0,1,1,0,0,0|2,0,0]=4 991 B15R1.3197 C=CC(C)N(CC(=O)O)c1ccccc1 269956a_100000212060_100011215867 [0,1,1,0,0,0|1,0,1]=4 992 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 2230a_100000211662_100000747449 [0,1,1,0,0,0|1,0,1]=4 993 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000210623 [0,1,1,0,0,0|1,0,1]=4 994 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 269982a_100000211662_100000747449 [0,1,1,0,0,0|1,0,1]=4 995 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000210623 [0,1,1,0,0,0|1,0,1]=4 996 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 34a_100000211662_100000747449 [0,1,1,0,0,0|1,0,1]=4 997 B15R1.9083 C=C(C)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000748629 [0,1,1,0,0,0|1,0,1]=4 998 B15R1.9083 C=C(F)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000042424 [0,1,1,0,0,0|1,0,1]=4 999 B15R1.9865 C=CCN(CC(=O)O)c1ccccc1C 269956a_200011202413_100000210623 [0,1,1,0,0,0|1,0,1]=4 1000 B15R1.9865 C=CCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100000210623 [0,1,1,0,0,0|1,0,1]=4 1001 B15R1.9865 C=CCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100000210623 [0,1,1,0,0,0|1,0,1]=4 1002 B15R1.1038 C=CCSc1cccc(c1)CC(=O)OC 62a_100000210623_100000699549 [0,1,1,0,0,0|1,0,1]=4 1003 B15R1.1038 C=CCSc1cccc(c1)CC(=O)OC 62a_100000699549_100000210623 [0,1,1,0,0,0|1,0,1]=4 1004 B15R1.3839 C=CC(=O)Nc1cccc(c1)CC(=O)N 1626a_200011690101_100000185746 [0,1,1,0,0,0|2,0,0]=4 1005 B15R1.3839 C=CC(=O)Nc1cccc(c1)CC(=O)N 22a_200011690101_100000185746 [0,1,1,0,0,0|2,0,0]=4 1006 B15R1.1052 C=CCOc1ccccc1CC(=O)OC 7a_100000758901_100015514636 [0,1,1,0,0,0|1,0,1]=4 1007 B15R1.1052 C=CCSc1ccccc1CC(=O)OC 62a_100000210623_100000699816 [0,1,1,0,0,0|1,0,1]=4 1008 B15R1.1052 C=CCSc1ccccc1CC(=O)OC 62a_100000699816_100000210623 [0,1,1,0,0,0|1,0,1]=4 1009 B15R1.1188 C=CCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210623 [0,1,1,0,0,0|0,0,2]=4 1010 B15R1.1117 C=Cc1ccccc1C(=O)C(C)C(=O)C 1458a_100011830265_100000179758 [0,1,1,0,0,0|2,0,0]=4 1011 B15R1.1117 C=Cc1ccccc1C(=O)C(C)C(=O)N 1458a_100011830265_100000702099 [0,1,1,0,0,0|2,0,0]=4 1012 B15R1.1117 C=Cc1ccccc1C(=O)C(F)C(=O)N 1458a_100011830265_100009813875 [0,1,1,0,0,0|2,0,0]=4 1013 B15R1.1117 C=Cc1ccccc1C(=O)C(F)C(=O)[O-] 1458a_100011830265_100020610796 [0,1,1,0,0,0|1,0,1]=4 1014 B15R1.5509 C=C(C)c1ccccc1C(=O)CC(=O)C 271570a_100000694244_200011243946 [0,1,1,0,0,0|2,0,0]=4 1015 B15R1.12623 C=Cc1ccccc1C(=O)CC(=O)CC 1458a_100011830265_100000747405 [0,1,1,0,0,0|2,0,0]=4 1016 B15R1.12623 C=Cc1ccccc1C(=O)CC(=O)NC 1458a_100011830265_100000183359 [0,1,1,0,0,0|2,0,0]=4 1017 B15R1.12623 C=Cc1ccccc1C(=O)CC(=O)OC 1458a_100011830265_100000747449 [0,1,1,0,0,0|1,0,0]=3 1018 B15R1.26394 C=C=Cc1c(cccc1CC(=O)OC)C 271570a_100015277604_200010150888 [0,1,1,0,0,0|0,0,2]=4 1019 B15R1.26394 CC=Cc1c(cccc1CC(=O)OC)C 271570a_100016259895_200010150888 [0,1,1,0,0,0|0,0,2]=4 1020 B15R2.795 CNCc1cccc2c1ccc(c2)Br 26a_100102657272_100010202202 [1,1,0,0,0,0|2,0,0]=4 1021 B15R2.800 CC=Cc1cccc2c1cccc2F 271570a_100016259895_100009817034 [1,1,0,0,0,0|1,0,1]=4 1022 B15R2.800 CC=Cc1cccc2c1cccc2N 271570a_100016259895_100009816864 [1,1,0,0,0,0|1,0,1]=4 1023 B15R2.800 CC=Cc1cccc2c1cccc2O 271570a_100016259895_100010003857 [1,1,0,0,0,0|1,0,1]=4 1024 B15R2.800 CNCc1cccc2c1cccc2Br 26a_100102657272_100010003857 [1,1,0,0,0,0|2,0,0]=4 1025 B15R2.800 CNCc1cccc2c1cccc2F 207a_100102657272_200102526217 [1,1,0,0,0,0|2,0,0]=4 1026 B15R2.800 CNCc1cccc2c1cccc2F 270004a_106832991635_200102526217 [1,1,0,0,0,0|2,0,0]=4 1027 B15R2.4382 CC=Cc1ccc(c2c1cccc2)Br 271570a_100016259895_100012339872 [1,1,0,0,0,0|1,0,1]=4 1028 B15R2.4382 CC=Cc1ccc(c2c1cccc2)C 271570a_100016259895_100011215156 [1,1,0,0,0,0|1,0,1]=4 1029 B15R2.4382 CC=Cc1ccc(c2c1cccc2)F 271570a_100016259895_100011218216 [1,1,0,0,0,0|1,0,1]=4 1030 B15R2.4382 CC=Cc1ccc(c2c1cccc2)N 271570a_100016259895_100000766797 [1,1,0,0,0,0|1,0,1]=4 1031 B15R2.4382 CC=Cc1ccc(c2c1cccc2)O 271570a_100016259895_100000186334 [1,1,0,0,0,0|1,0,1]=4 1032 B15R2.4382 CNCc1ccc(c2c1cccc2)Br 207a_100102657272_100012359940 [1,1,0,0,0,0|2,0,0]=4 1033 B15R2.4382 CNCc1ccc(c2c1cccc2)Br 2230a_106832991635_100012352185 [1,1,0,0,0,0|2,0,0]=4 1034 B15R2.4382 CNCc1ccc(c2c1cccc2)Br 26a_100102657272_100000186334 [1,1,0,0,0,0|2,0,0]=4 1035 B15R2.4382 CNCc1ccc(c2c1cccc2)Br 270004a_106832991635_100012359940 [1,1,0,0,0,0|2,0,0]=4 1036 B15R2.4382 CNCc1ccc(c2c1cccc2)Br 34a_100016995114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B15R2.4382 CNCc1ccc(c2c1cccc2)Br 34a_100102657272_100012352185 [1,1,0,0,0,0|2,0,0]=4 1038 B15R2.4382 CNCc1ccc(c2c1cccc2)Br 7a_106832991635_100012352185 [1,1,0,0,0,0|2,0,0]=4 1039 B15R2.4382 CNCc1ccc(c2c1cccc2)C 207a_100102657272_100000188529 [1,1,0,0,0,0|2,0,0]=4 1040 B15R2.4382 CNCc1ccc(c2c1cccc2)C 2230a_106832991635_100012073487 [1,1,0,0,0,0|2,0,0]=4 1041 B15R2.4382 CNCc1ccc(c2c1cccc2)C 270004a_106832991635_100000188529 [1,1,0,0,0,0|2,0,0]=4 1042 B15R2.4382 CNCc1ccc(c2c1cccc2)C 34a_100102657272_100012073487 [1,1,0,0,0,0|2,0,0]=4 1043 B15R2.4382 CNCc1ccc(c2c1cccc2)C 7a_106832991635_100012073487 [1,1,0,0,0,0|2,0,0]=4 1044 B15R2.4382 CNCc1ccc(c2c1cccc2)Cl 207a_100102657272_100011204464 [1,1,0,0,0,0|2,0,0]=4 1045 B15R2.4382 CNCc1ccc(c2c1cccc2)Cl 270004a_106832991635_100011204464 [1,1,0,0,0,0|2,0,0]=4 1046 B15R2.4382 CNCc1ccc(c2c1cccc2)F 207a_100102657272_100011934225 [1,1,0,0,0,0|2,0,0]=4 1047 B15R2.4382 CNCc1ccc(c2c1cccc2)F 2230a_106832991635_100011988723 [1,1,0,0,0,0|2,0,0]=4 1048 B15R2.4382 CNCc1ccc(c2c1cccc2)F 270004a_106832991635_100011934225 [1,1,0,0,0,0|2,0,0]=4 1049 B15R2.4382 CNCc1ccc(c2c1cccc2)F 34a_100102657272_100011988723 [1,1,0,0,0,0|2,0,0]=4 1050 B15R2.4382 CNCc1ccc(c2c1cccc2)F 7a_106832991635_100011988723 [1,1,0,0,0,0|2,0,0]=4 1051 B15R2.4382 COCc1ccc(c2c1cccc2)Br 34a_100138415774_100012352185 [1,1,0,0,0,0|2,0,0]=4 1052 B15R2.4382 COCc1ccc(c2c1cccc2)C 34a_100138415774_100012073487 [1,1,0,0,0,0|2,0,0]=4 1053 B15R2.4382 COCc1ccc(c2c1cccc2)C 34a_200011995996_200000210301 [1,1,0,0,0,0|2,0,0]=4 1054 B15R2.4382 COCc1ccc(c2c1cccc2)C 7a_200011995996_200000210301 [1,1,0,0,0,0|2,0,0]=4 1055 B15R2.4382 COCc1ccc(c2c1cccc2)F 34a_100011988714_200000210301 [1,1,0,0,0,0|2,0,0]=4 1056 B15R2.4382 COCc1ccc(c2c1cccc2)F 34a_100138415774_100011988723 [1,1,0,0,0,0|2,0,0]=4 1057 B15R2.4382 COCc1ccc(c2c1cccc2)F 7a_100011988714_200000210301 [1,1,0,0,0,0|2,0,0]=4 1058 B15R2.4382 CSCc1ccc(c2c1cccc2)Br 62a_100012352185_200000210301 [1,1,0,0,0,0|2,0,0]=4 1059 B15R2.4382 CSCc1ccc(c2c1cccc2)Br 62a_200000210301_100012352185 [1,1,0,0,0,0|2,0,0]=4 1060 B15R2.4382 CSCc1ccc(c2c1cccc2)C 62a_100012073487_200000210301 [1,1,0,0,0,0|2,0,0]=4 1061 B15R2.4382 CSCc1ccc(c2c1cccc2)C 62a_200000210301_100012073487 [1,1,0,0,0,0|2,0,0]=4 1062 B15R2.4382 CSCc1ccc(c2c1cccc2)F 62a_100011988723_200000210301 [1,1,0,0,0,0|2,0,0]=4 1063 B15R2.4382 CSCc1ccc(c2c1cccc2)F 62a_200000210301_100011988723 [1,1,0,0,0,0|2,0,0]=4 1064 B15R2.4382 Cc1ccc(c2c1cccc2)CO[13CH3] 34a_200011995996_200025704644 [1,1,0,0,0,0|2,0,0]=4 1065 B15R2.4382 Cc1ccc(c2c1cccc2)CO[13CH3] 7a_200011995996_200025704644 [1,1,0,0,0,0|2,0,0]=4 1066 B15R2.4382 Cc1ccc(c2c1cccc2)CS[13CH3] 62a_100012073487_200025704644 [1,1,0,0,0,0|2,0,0]=4 1067 B15R2.4382 Cc1ccc(c2c1cccc2)CS[13CH3] 62a_200025704644_100012073487 [1,1,0,0,0,0|2,0,0]=4 1068 B15R2.4382 [13CH3]NCc1ccc(c2c1cccc2)Br 34a_100016995114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1069 B15R2.4382 [13CH3]OCc1ccc(c2c1cccc2)F 34a_100011988714_200025704644 [1,1,0,0,0,0|2,0,0]=4 1070 B15R2.4382 [13CH3]OCc1ccc(c2c1cccc2)F 7a_100011988714_200025704644 [1,1,0,0,0,0|2,0,0]=4 1071 B15R2.4382 [13CH3]SCc1ccc(c2c1cccc2)Br 62a_100012352185_200025704644 [1,1,0,0,0,0|2,0,0]=4 1072 B15R2.4382 [13CH3]SCc1ccc(c2c1cccc2)Br 62a_200025704644_100012352185 [1,1,0,0,0,0|2,0,0]=4 1073 B15R2.4382 [13CH3]SCc1ccc(c2c1cccc2)F 62a_100011988723_200025704644 [1,1,0,0,0,0|2,0,0]=4 1074 B15R2.4382 [13CH3]SCc1ccc(c2c1cccc2)F 62a_200025704644_100011988723 [1,1,0,0,0,0|2,0,0]=4 1075 B15R2.4392 CC=Cc1cc(cc2c1cccc2)N 271570a_100016259895_100010089974 [1,1,0,0,0,0|1,0,1]=4 1076 B15R2.4392 CC=Cc1cc(cc2c1cccc2)O 271570a_100016259895_100010001680 [1,1,0,0,0,0|1,0,1]=4 1077 B15R2.4392 CNCc1cc(cc2c1cccc2)Br 26a_100102657272_100010089979 [1,1,0,0,0,0|2,0,0]=4 1078 B15R2.9941 CC=Cc1c(ccc2c1cccc2)Br 271570a_100016259895_100010090040 [1,1,0,0,0,0|1,0,1]=4 1079 B15R2.9941 CC=Cc1c(ccc2c1cccc2)C 271570a_100016259895_100000759710 [1,1,0,0,0,0|1,0,1]=4 1080 B15R2.9941 CC=Cc1c(ccc2c1cccc2)N 271570a_100016259895_100000705303 [1,1,0,0,0,0|1,0,1]=4 1081 B15R2.9941 CC=Cc1c(ccc2c1cccc2)O 271570a_100016259895_100000183829 [1,1,0,0,0,0|1,0,1]=4 1082 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 207a_100102657272_100010090029 [1,1,0,0,0,0|2,0,0]=4 1083 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 26a_100102657272_100009996032 [1,1,0,0,0,0|2,0,0]=4 1084 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 270004a_106832991635_100010090029 [1,1,0,0,0,0|2,0,0]=4 1085 B15R2.9941 CNCc1c(ccc2c1cccc2)C 207a_100102657272_100011361466 [1,1,0,0,0,0|2,0,0]=4 1086 B15R2.9941 CNCc1c(ccc2c1cccc2)C 2230a_106832991635_100000689653 [1,1,0,0,0,0|2,0,0]=4 1087 B15R2.9941 CNCc1c(ccc2c1cccc2)C 270004a_106832991635_100011361466 [1,1,0,0,0,0|2,0,0]=4 1088 B15R2.9941 CNCc1c(ccc2c1cccc2)C 34a_100102657272_100000689653 [1,1,0,0,0,0|2,0,0]=4 1089 B15R2.9941 CNCc1c(ccc2c1cccc2)C 7a_106832991635_100000689653 [1,1,0,0,0,0|2,0,0]=4 1090 B15R2.9941 COCc1c(ccc2c1cccc2)C 34a_100138415774_100000689653 [1,1,0,0,0,0|2,0,0]=4 1091 B15R2.9941 CSCc1c(ccc2c1cccc2)C 62a_100000689653_200000210301 [1,1,0,0,0,0|2,0,0]=4 1092 B15R2.9941 CSCc1c(ccc2c1cccc2)C 62a_200000210301_100000689653 [1,1,0,0,0,0|2,0,0]=4 1093 B15R2.9941 Cc1ccc2ccccc2c1CS[13CH3] 62a_100000689653_200025704644 [1,1,0,0,0,0|2,0,0]=4 1094 B15R2.9941 Cc1ccc2ccccc2c1CS[13CH3] 62a_200025704644_100000689653 [1,1,0,0,0,0|2,0,0]=4 1095 B15R2.11929 CC=Cc1cccc2c1c(ccc2)Br 271570a_100016259895_100010243825 [1,1,0,0,0,0|1,0,1]=4 1096 B15R2.11929 CC=Cc1cccc2c1c(ccc2)C 271570a_100016259895_100009995290 [1,1,0,0,0,0|1,0,1]=4 1097 B15R2.11929 CC=Cc1cccc2c1c(ccc2)F 271570a_100016259895_100010177852 [1,1,0,0,0,0|1,0,1]=4 1098 B15R2.11929 CC=Cc1cccc2c1c(ccc2)N 271570a_100016259895_100010002837 [1,1,0,0,0,0|1,0,1]=4 1099 B15R2.11929 CC=Cc1cccc2c1c(ccc2)O 271570a_100016259895_100010089961 [1,1,0,0,0,0|1,0,1]=4 1100 B15R2.11929 CNCc1cccc2c1c(ccc2)Br 26a_100102657272_100010089961 [1,1,0,0,0,0|2,0,0]=4 1101 B15R2.11929 CNCc1cccc2c1c(ccc2)C 207a_100102657272_100009842862 [1,1,0,0,0,0|2,0,0]=4 1102 B15R2.11929 CNCc1cccc2c1c(ccc2)C 270004a_106832991635_100009842862 [1,1,0,0,0,0|2,0,0]=4 1103 B15R2.11929 CNCc1cccc2c1c(ccc2)Cl 207a_100102657272_100009850064 [1,1,0,0,0,0|2,0,0]=4 1104 B15R2.11929 CNCc1cccc2c1c(ccc2)Cl 270004a_106832991635_100009850064 [1,1,0,0,0,0|2,0,0]=4 1105 B15R2.11929 COCc1cccc2c1c(ccc2)Br 34a_200009814114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B15R2.11929 COCc1cccc2c1c(ccc2)Br 7a_200009814114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1107 B15R2.11929 [13CH3]OCc1cccc2c1c(ccc2)Br 34a_200009814114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1108 B15R2.11929 [13CH3]OCc1cccc2c1c(ccc2)Br 7a_200009814114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1109 B15R2.11981 CC=Cc1cccc2c1cc(cc2)O 271570a_100016259895_100010169565 [1,1,0,0,0,0|1,0,1]=4 1110 B15R2.11981 CNCc1cccc2c1cc(cc2)Br 26a_100102657272_100010089991 [1,1,0,0,0,0|2,0,0]=4 1111 B15R2.18471 C#CCNc1cccc2c1cccc2 34a_100000185869_100000184674 [1,1,0,0,0,0|1,0,1]=4 1112 B15R2.18471 C#CCOc1cccc2c1cccc2 34a_100000210388_100000184674 [1,1,0,0,0,0|1,0,1]=4 1113 B15R2.18471 C#CCOc1cccc2c1cccc2 7a_100000210388_100000038162 [1,1,0,0,0,0|1,0,1]=4 1114 B15R2.18471 C#CCSc1cccc2c1cccc2 62a_100000038162_100000210605 [1,1,0,0,0,0|1,0,1]=4 1115 B15R2.18471 C=CCNc1cccc2c1cccc2 34a_100000185869_100015514636 [1,1,0,0,0,0|1,0,0]=3 1116 B15R2.18471 C=CCNc1cccc2c1cccn2 27a_100020586998_100011290932 [1,1,0,0,0,0|2,0,0]=4 1117 B15R2.18471 C=CCNc1cccc2c1cccn2 34a_100000183906_100015514636 [1,1,0,0,0,0|2,0,0]=4 1118 B15R2.18471 C=CCNc1cccc2c1nccc2 34a_100000181377_100015514636 [1,1,0,0,0,0|2,0,0]=4 1119 B15R2.18471 C=CCNc1ccnc2c1cccc2 27a_100020586998_100011215880 [1,1,0,0,0,0|2,0,0]=4 1120 B15R2.18471 C=CCNc1nccc2c1cccc2 27a_100020586998_100011934041 [1,1,0,0,0,0|2,0,0]=4 1121 B15R2.18471 C=CCOc1cccc2c1cccc2 34a_100000210388_100015514636 [1,1,0,0,0,0|1,0,0]=3 1122 B15R2.18471 C=CCOc1cccc2c1cccc2 7a_100000210388_100015514636 [1,1,0,0,0,0|1,0,0]=3 1123 B15R2.18471 C=CCOc1cccc2c1cccn2 34a_100011197808_100015514636 [1,1,0,0,0,0|2,0,0]=4 1124 B15R2.18471 C=CCOc1cccc2c1ccnc2 34a_100011218533_100015514636 [1,1,0,0,0,0|2,0,0]=4 1125 B15R2.18471 C=CCOc1cccc2c1cncc2 34a_103624766955_100015514636 [1,1,0,0,0,0|2,0,0]=4 1126 B15R2.18471 C=CCOc1cccc2c1nccc2 34a_100000056035_100015514636 [1,1,0,0,0,0|2,0,0]=4 1127 B15R2.18471 C=CCOc1cncc2c1cccc2 34a_100000066178_100015514636 [1,1,0,0,0,0|2,0,0]=4 1128 B15R2.18471 C=CCOc1cncc2c1cccc2 7a_100000066178_100015514636 [1,1,0,0,0,0|2,0,0]=4 1129 B15R2.18471 C=CCOc1nccc2c1cccc2 34a_102531767632_100015514636 [1,1,0,0,0,0|2,0,0]=4 1130 B15R2.18471 C=CCSc1cccc2c1cccc2 62a_100000210623_100000210605 [1,1,0,0,0,0|1,0,0]=3 1131 B15R2.18471 C=CCSc1cccc2c1cccn2 62a_100000210623_100011290932 [1,1,0,0,0,0|2,0,0]=4 1132 B15R2.18471 C=CCSc1cccc2c1cccn2 62a_100011290932_100000210623 [1,1,0,0,0,0|2,0,0]=4 1133 B15R2.18471 C=CCSc1cccc2c1ccnc2 62a_100000186358_100000210623 [1,1,0,0,0,0|2,0,0]=4 1134 B15R2.18471 C=CCSc1cccc2c1ccnc2 62a_100000210623_100000186358 [1,1,0,0,0,0|2,0,0]=4 1135 B15R2.18471 C=CCSc1cccc2c1cncc2 62a_100000210623_100000685578 [1,1,0,0,0,0|2,0,0]=4 1136 B15R2.18471 C=CCSc1cccc2c1cncc2 62a_100000685578_100000210623 [1,1,0,0,0,0|2,0,0]=4 1137 B15R2.18471 C=CCSc1cccc2c1nccc2 62a_100000210623_100011215545 [1,1,0,0,0,0|2,0,0]=4 1138 B15R2.18471 C=CCSc1ccnc2c1cccc2 62a_100000210623_100011215880 [1,1,0,0,0,0|2,0,0]=4 1139 B15R2.18471 C=CCSc1ccnc2c1cccc2 62a_100011458314_100000210623 [1,1,0,0,0,0|2,0,0]=4 1140 B15R2.18471 C=CCSc1cncc2c1cccc2 62a_100000187577_100000210623 [1,1,0,0,0,0|2,0,0]=4 1141 B15R2.18471 C=CCSc1cncc2c1cccc2 62a_100000210623_100000187577 [1,1,0,0,0,0|2,0,0]=4 1142 B15R2.18471 C=CCSc1nccc2c1cccc2 62a_100000210623_100011934041 [1,1,0,0,0,0|2,0,0]=4 1143 B15R2.18471 C=CCSc1nccc2c1cccc2 62a_100011934041_100000210623 [1,1,0,0,0,0|2,0,0]=4 1144 B15R2.18471 CC=NNc1cccc2c1cccc2 4a_100000006939_200000210099 [1,1,0,0,0,0|2,0,0]=4 1145 B15R2.18471 CCCCc1cccc2c1cccc2 271570a_100020621405_100000210605 [1,1,0,0,0,0|1,0,1]=4 1146 B15R2.18471 CCCNc1cccc2c1cccc2 34a_100000185869_100000210303 [1,1,0,0,0,0|1,0,1]=4 1147 B15R2.18471 CCCOc1cccc2c1cccc2 34a_100000210388_100000210303 [1,1,0,0,0,0|1,0,1]=4 1148 B15R2.18471 CCCOc1cccc2c1cccc2 7a_100000210388_100000210303 [1,1,0,0,0,0|1,0,1]=4 1149 B15R2.18471 CCCSc1cccc2c1cccc2 62a_100000210303_100000210605 [1,1,0,0,0,0|1,0,1]=4 1150 B15R2.18471 CCNCc1cccc2c1cccc2 207a_100015525214_100000210074 [1,1,0,0,0,0|1,0,1]=4 1151 B15R2.18471 CCNCc1cccc2c1cccc2 2230a_100015525214_100011261445 [1,1,0,0,0,0|1,0,1]=4 1152 B15R2.18471 CCNCc1cccc2c1cccc2 270004a_100015525214_100000210074 [1,1,0,0,0,0|1,0,1]=4 1153 B15R2.18471 CCNCc1cccc2c1cccc2 34a_100000753325_100000210202 [1,1,0,0,0,0|1,0,1]=4 1154 B15R2.18471 CCOCc1cccc2c1cccc2 34a_100011216843_100000210202 [1,1,0,0,0,0|1,0,1]=4 1155 B15R2.18471 CCOCc1cccc2c1cccc2 34a_100121572206_100011261445 [1,1,0,0,0,0|1,0,1]=4 1156 B15R2.18471 CCOCc1cccc2c1cccc2 7a_100011216843_100000210202 [1,1,0,0,0,0|1,0,1]=4 1157 B15R2.18471 CCSCc1cccc2c1cccc2 62a_100000210202_100000188474 [1,1,0,0,0,0|1,0,1]=4 1158 B15R2.18471 CCSCc1cccc2c1cccc2 62a_100011261445_100000210202 [1,1,0,0,0,0|1,0,1]=4 1159 B15R2.18471 CNCCc1cccc2c1cccc2 2230a_100000751862_200000210301 [1,1,0,0,0,0|1,0,1]=4 1160 B15R2.18471 CNCCc1cccc2c1cccc2 2230a_106832991635_100011290781 [1,1,0,0,0,0|1,0,1]=4 1161 B15R2.18471 CNCCc1cccc2c1cccc2 34a_100000751862_200000210301 [1,1,0,0,0,0|1,0,1]=4 1162 B15R2.18471 CNCCc1cccc2c1cccc2 34a_100102657272_100011290781 [1,1,0,0,0,0|1,0,1]=4 1163 B15R2.18471 CNCCc1cccc2c1cccc2 7a_106832991635_100011290781 [1,1,0,0,0,0|1,0,1]=4 1164 B15R2.18471 COCCc1cccc2c1cccc2 34a_100011219628_200000210301 [1,1,0,0,0,0|0,0,1]=3 1165 B15R2.18471 COCCc1cccc2c1cccc2 34a_100138415774_100011290781 [1,1,0,0,0,0|0,0,1]=3 1166 B15R2.18471 COCCc1cccc2c1cccc2 7a_100011219628_200000210301 [1,1,0,0,0,0|0,0,1]=3 1167 B15R2.18471 COCSc1cccc2c1cccc2 62a_100000766300_100000210605 [1,1,0,0,0,0|1,0,1]=4 1168 B15R2.18471 CSCCc1cccc2c1cccc2 62a_100011290781_200000210301 [1,1,0,0,0,0|0,1,1]=4 1169 B15R2.18471 CSCCc1cccc2c1cccc2 62a_200000210301_100011290781 [1,1,0,0,0,0|0,1,1]=4 1170 B15R2.18471 CSCNc1cccc2c1cccc2 34a_100000185869_100011218213 [1,1,0,0,0,0|2,0,0]=4 1171 B15R2.18471 CSCOc1cccc2c1cccc2 34a_100000210388_100011218213 [1,1,0,0,0,0|2,0,0]=4 1172 B15R2.18471 CSCSc1cccc2c1cccc2 62a_100011218213_100000210605 [1,1,0,0,0,0|2,0,0]=4 1173 B15R2.18471 FCCNc1cccc2c1cccc2 34a_100000185869_100011217306 [1,1,0,0,0,0|1,0,1]=4 1174 B15R2.18471 FCCOc1cccc2c1cccc2 34a_100000210388_100011217306 [1,1,0,0,0,0|1,0,1]=4 1175 B15R2.18471 FCCOc1cccc2c1cccc2 7a_100000210388_100011217306 [1,1,0,0,0,0|1,0,1]=4 1176 B15R2.18471 FCCSc1cccc2c1cccc2 62a_100011217306_100000210605 [1,1,0,0,0,0|1,0,1]=4 1177 B15R2.18471 FCNCc1cccc2c1cccc2 34a_100000753325_100015361967 [1,1,0,0,0,0|1,0,1]=4 1178 B15R2.18471 FCOCc1cccc2c1cccc2 34a_100011216843_100015361967 [1,1,0,0,0,0|1,0,1]=4 1179 B15R2.18471 FCOCc1cccc2c1cccc2 7a_100011216843_100015361967 [1,1,0,0,0,0|1,0,1]=4 1180 B15R2.18471 FCSCc1cccc2c1cccc2 62a_100011261445_100015361967 [1,1,0,0,0,0|1,0,1]=4 1181 B15R2.18471 FCSCc1cccc2c1cccc2 62a_100015361967_100000188474 [1,1,0,0,0,0|1,0,1]=4 1182 B15R2.18471 N#CCOc1cccc2c1cccc2 7a_100000210388_100011215382 [1,1,0,0,0,0|1,0,1]=4 1183 B15R2.18471 N#CCSc1cccc2c1cccc2 62a_100011215382_100000210605 [1,1,0,0,0,0|1,0,1]=4 1184 B15R2.18471 O=CCNc1cccc2c1cccc2 34a_100000185869_200009817547 [1,1,0,0,0,0|0,0,0]=2 1185 B15R2.18471 O=CCNc1cccc2c1cccn2 34a_100000183906_200009817547 [1,1,0,0,0,0|1,0,0]=3 1186 B15R2.18471 O=CCNc1cccc2c1nccc2 34a_100000181377_200009817547 [1,1,0,0,0,0|1,0,0]=3 1187 B15R2.18471 O=CCOc1cccc2c1CC=CC2 34a_100000074931_200009817547 [1,1,0,0,0,0|0,0,2]=4 1188 B15R2.18471 O=CCOc1cccc2c1CC=CC2 7a_100000074931_200015260668 [1,1,0,0,0,0|0,0,2]=4 1189 B15R2.18471 O=CCOc1cccc2c1cccc2 34a_100000210388_200009817547 [1,1,0,0,0,0|0,0,0]=2 1190 B15R2.18471 O=CCOc1cccc2c1cccc2 7a_100000210388_200015260668 [1,1,0,0,0,0|0,0,0]=2 1191 B15R2.18471 O=CCOc1cccc2c1cccn2 34a_100011197808_200009817547 [1,1,0,0,0,0|1,0,0]=3 1192 B15R2.18471 O=CCOc1cccc2c1ccnc2 34a_100011218533_200009817547 [1,1,0,0,0,0|1,0,0]=3 1193 B15R2.18471 O=CCOc1cccc2c1cncc2 34a_103624766955_200009817547 [1,1,0,0,0,0|1,0,0]=3 1194 B15R2.18471 O=CCOc1cccc2c1nccc2 34a_100000056035_200009817547 [1,1,0,0,0,0|1,0,0]=3 1195 B15R2.18471 O=CCOc1cccc2c1nccn2 34a_100000077048_200009817547 [1,1,0,0,0,0|2,0,0]=4 1196 B15R2.18471 O=CCOc1cccc2c1ncnc2 34a_200000077003_200009817547 [1,1,0,0,0,0|2,0,0]=4 1197 B15R2.18471 O=CCOc1cncc2c1cccc2 34a_100000066178_200009817547 [1,1,0,0,0,0|1,0,0]=3 1198 B15R2.18471 O=CCOc1cncc2c1cccc2 7a_100000066178_200015260668 [1,1,0,0,0,0|1,0,0]=3 1199 B15R2.18471 O=CCOc1nccc2c1cccc2 34a_102531767632_200009817547 [1,1,0,0,0,0|1,0,0]=3 1200 B15R2.18471 O=CCSc1cccc2c1cccc2 62a_200015260668_100000210605 [1,1,0,0,0,0|0,0,0]=2 1201 B15R2.18471 O=CCSc1cccc2c1cccn2 62a_100011290932_200015260668 [1,1,0,0,0,0|1,0,0]=3 1202 B15R2.18471 O=CCSc1cccc2c1cccn2 62a_200015260668_100011290932 [1,1,0,0,0,0|1,0,0]=3 1203 B15R2.18471 O=CCSc1cccc2c1ccnc2 62a_100000186358_200015260668 [1,1,0,0,0,0|1,0,0]=3 1204 B15R2.18471 O=CCSc1cccc2c1ccnc2 62a_200015260668_100000186358 [1,1,0,0,0,0|1,0,0]=3 1205 B15R2.18471 O=CCSc1cccc2c1cncc2 62a_100000685578_200015260668 [1,1,0,0,0,0|1,0,0]=3 1206 B15R2.18471 O=CCSc1cccc2c1cncc2 62a_200015260668_100000685578 [1,1,0,0,0,0|1,0,0]=3 1207 B15R2.18471 O=CCSc1cccc2c1cncn2 62a_100009814520_200015260668 [1,1,0,0,0,0|2,0,0]=4 1208 B15R2.18471 O=CCSc1cccc2c1cncn2 62a_200015260668_100009814520 [1,1,0,0,0,0|2,0,0]=4 1209 B15R2.18471 O=CCSc1cccc2c1nccc2 62a_200015260668_100011215545 [1,1,0,0,0,0|1,0,0]=3 1210 B15R2.18471 O=CCSc1cccc2c1nccn2 62a_100010003881_200015260668 [1,1,0,0,0,0|2,0,0]=4 1211 B15R2.18471 O=CCSc1cccc2c1nccn2 62a_200015260668_100010003881 [1,1,0,0,0,0|2,0,0]=4 1212 B15R2.18471 O=CCSc1cccc2c1ncnc2 62a_100010246313_200015260668 [1,1,0,0,0,0|2,0,0]=4 1213 B15R2.18471 O=CCSc1cccc2c1ncnc2 62a_200015260668_100010246313 [1,1,0,0,0,0|2,0,0]=4 1214 B15R2.18471 O=CCSc1ccnc2c1cccc2 62a_100011458314_200015260668 [1,1,0,0,0,0|1,0,0]=3 1215 B15R2.18471 O=CCSc1ccnc2c1cccc2 62a_200015260668_100011215880 [1,1,0,0,0,0|1,0,0]=3 1216 B15R2.18471 O=CCSc1ccnc2c1cccn2 62a_100000087570_200015260668 [1,1,0,0,0,0|2,0,0]=4 1217 B15R2.18471 O=CCSc1ccnc2c1cccn2 62a_200015260668_100000087570 [1,1,0,0,0,0|2,0,0]=4 1218 B15R2.18471 O=CCSc1ccnc2c1cncc2 62a_100000095135_200015260668 [1,1,0,0,0,0|2,0,0]=4 1219 B15R2.18471 O=CCSc1ccnc2c1cncc2 62a_200015260668_100000095135 [1,1,0,0,0,0|2,0,0]=4 1220 B15R2.18471 O=CCSc1cncc2c1cccc2 62a_100000187577_200015260668 [1,1,0,0,0,0|1,0,0]=3 1221 B15R2.18471 O=CCSc1cncc2c1cccc2 62a_200015260668_100000187577 [1,1,0,0,0,0|1,0,0]=3 1222 B15R2.18471 O=CCSc1cncc2c1cccn2 62a_100010211308_200015260668 [1,1,0,0,0,0|2,0,0]=4 1223 B15R2.18471 O=CCSc1cncc2c1cccn2 62a_200015260668_100010211308 [1,1,0,0,0,0|2,0,0]=4 1224 B15R2.18471 O=CCSc1cncc2c1ccnc2 62a_100010134378_200015260668 [1,1,0,0,0,0|2,0,0]=4 1225 B15R2.18471 O=CCSc1cncc2c1ccnc2 62a_200015260668_100010134378 [1,1,0,0,0,0|2,0,0]=4 1226 B15R2.18471 O=CCSc1cnnc2c1cccc2 62a_200015260668_100000063506 [1,1,0,0,0,0|2,0,0]=4 1227 B15R2.18471 O=CCSc1nccc2c1cccc2 62a_100011934041_200015260668 [1,1,0,0,0,0|1,0,0]=3 1228 B15R2.18471 O=CCSc1nccc2c1cccc2 62a_200015260668_100011934041 [1,1,0,0,0,0|1,0,0]=3 1229 B15R2.18471 O=CCSc1nccc2c1cccn2 62a_200015260668_100000077681 [1,1,0,0,0,0|2,0,0]=4 1230 B15R2.18471 O=CCSc1nccc2c1cncc2 62a_200010063730_200015260668 [1,1,0,0,0,0|2,0,0]=4 1231 B15R2.18471 O=CCSc1nccc2c1cncc2 62a_200015260668_100000116921 [1,1,0,0,0,0|2,0,0]=4 1232 B15R2.18471 O=CCSc1nccc2c1nccc2 62a_200015260668_100010063729 [1,1,0,0,0,0|2,0,0]=4 1233 B15R2.18471 O=CCSc1ncnc2c1cccc2 62a_100000753007_200015260668 [1,1,0,0,0,0|2,0,0]=4 1234 B15R2.18471 O=CCSc1ncnc2c1cccc2 62a_200015260668_100000217608 [1,1,0,0,0,0|2,0,0]=4 1235 B15R2.18471 O=CCSc1nncc2c1cccc2 62a_200015260668_100025712358 [1,1,0,0,0,0|2,0,0]=4 1236 B15R2.18471 OCCNc1cccc2c1cccc2 34a_100000185869_100000211926 [1,1,0,0,0,0|0,0,1]=3 1237 B15R2.18471 OCCNc1cccc2c1cccn2 27a_100000210304_100011290932 [1,1,0,0,0,0|1,0,1]=4 1238 B15R2.18471 OCCNc1cccc2c1cccn2 34a_100000183906_100000211926 [1,1,0,0,0,0|1,0,1]=4 1239 B15R2.18471 OCCNc1cccc2c1nccc2 34a_100000181377_100000211926 [1,1,0,0,0,0|1,0,1]=4 1240 B15R2.18471 OCCNc1ccnc2c1cccc2 27a_100000210304_100011215880 [1,1,0,0,0,0|1,0,1]=4 1241 B15R2.18471 OCCNc1nccc2c1cccc2 27a_100000210304_100011934041 [1,1,0,0,0,0|1,0,1]=4 1242 B15R2.18471 OCCOc1cccc2c1cccc2 34a_100000210388_100000211926 [1,1,0,0,0,0|0,0,1]=3 1243 B15R2.18471 OCCOc1cccc2c1cccc2 7a_100000210388_100000211926 [1,1,0,0,0,0|0,0,1]=3 1244 B15R2.18471 OCCOc1cccc2c1cccn2 34a_100011197808_100000211926 [1,1,0,0,0,0|1,0,1]=4 1245 B15R2.18471 OCCOc1cccc2c1ccnc2 34a_100011218533_100000211926 [1,1,0,0,0,0|1,0,1]=4 1246 B15R2.18471 OCCOc1cccc2c1cncc2 34a_103624766955_100000211926 [1,1,0,0,0,0|1,0,1]=4 1247 B15R2.18471 OCCOc1cccc2c1nccc2 34a_100000056035_100000211926 [1,1,0,0,0,0|1,0,1]=4 1248 B15R2.18471 OCCOc1cncc2c1cccc2 34a_100000066178_100000211926 [1,1,0,0,0,0|1,0,1]=4 1249 B15R2.18471 OCCOc1cncc2c1cccc2 7a_100000066178_100000211926 [1,1,0,0,0,0|1,0,1]=4 1250 B15R2.18471 OCCOc1nccc2c1cccc2 34a_102531767632_100000211926 [1,1,0,0,0,0|1,0,1]=4 1251 B15R2.18471 OCCSc1cccc2c1cccc2 62a_100000211926_100000210605 [1,1,0,0,0,0|0,0,1]=3 1252 B15R2.18471 OCCSc1cccc2c1cccn2 62a_100000211926_100011290932 [1,1,0,0,0,0|1,0,1]=4 1253 B15R2.18471 OCCSc1cccc2c1cccn2 62a_100011290932_100000211926 [1,1,0,0,0,0|1,0,1]=4 1254 B15R2.18471 OCCSc1cccc2c1ccnc2 62a_100000186358_100000211926 [1,1,0,0,0,0|1,0,1]=4 1255 B15R2.18471 OCCSc1cccc2c1ccnc2 62a_100000211926_100000186358 [1,1,0,0,0,0|1,0,1]=4 1256 B15R2.18471 OCCSc1cccc2c1cncc2 62a_100000211926_100000685578 [1,1,0,0,0,0|1,0,1]=4 1257 B15R2.18471 OCCSc1cccc2c1cncc2 62a_100000685578_100000211926 [1,1,0,0,0,0|1,0,1]=4 1258 B15R2.18471 OCCSc1cccc2c1nccc2 62a_100000211926_100011215545 [1,1,0,0,0,0|1,0,1]=4 1259 B15R2.18471 OCCSc1ccnc2c1cccc2 62a_100000211926_100011215880 [1,1,0,0,0,0|1,0,1]=4 1260 B15R2.18471 OCCSc1ccnc2c1cccc2 62a_100011458314_100000211926 [1,1,0,0,0,0|1,0,1]=4 1261 B15R2.18471 OCCSc1cncc2c1cccc2 62a_100000187577_100000211926 [1,1,0,0,0,0|1,0,1]=4 1262 B15R2.18471 OCCSc1cncc2c1cccc2 62a_100000211926_100000187577 [1,1,0,0,0,0|1,0,1]=4 1263 B15R2.18471 OCCSc1nccc2c1cccc2 62a_100000211926_100011934041 [1,1,0,0,0,0|1,0,1]=4 1264 B15R2.18471 OCCSc1nccc2c1cccc2 62a_100011934041_100000211926 [1,1,0,0,0,0|1,0,1]=4 1265 B15R2.18471 [13CH3]NCCc1cccc2c1cccc2 2230a_100000751862_200025704644 [1,1,0,0,0,0|1,0,1]=4 1266 B15R2.18471 [13CH3]NCCc1cccc2c1cccc2 34a_100000751862_200025704644 [1,1,0,0,0,0|1,0,1]=4 1267 B15R2.18471 [13CH3]OCCc1cccc2c1cccc2 34a_100011219628_200025704644 [1,1,0,0,0,0|0,0,1]=3 1268 B15R2.18471 [13CH3]OCCc1cccc2c1cccc2 7a_100011219628_200025704644 [1,1,0,0,0,0|0,0,1]=3 1269 B15R2.18471 [13CH3]SCCc1cccc2c1cccc2 62a_100011290781_200025704644 [1,1,0,0,0,0|0,1,1]=4 1270 B15R2.18471 [13CH3]SCCc1cccc2c1cccc2 62a_200025704644_100011290781 [1,1,0,0,0,0|0,1,1]=4 1271 B15R2.79765 CNC(C)c1cccc2c1cccc2 269862a_106832991636_100000210126 [1,1,0,0,0,0|2,0,0]=4 1272 B15R2.79765 CN[C@@H](C)c1cccc2c1cccc2 2230a_100011830313_200000210301 [1,1,0,0,0,0|2,0,0]=4 1273 B15R2.79765 CO[C@@H](C)c1cccc2c1cccc2 34a_100011852130_200000210301 [1,1,0,0,0,0|2,0,0]=4 1274 B15R2.79765 CO[C@@H](C)c1cccc2c1cccc2 7a_100011852130_200000210301 [1,1,0,0,0,0|2,0,0]=4 1275 B15R2.79765 C[C@H](N[13CH3])c1cccc2c1cccc2 2230a_100011830313_200025704644 [1,1,0,0,0,0|2,0,0]=4 1276 B15R2.79765 C[C@H](O[13CH3])c1cccc2c1cccc2 34a_100011852130_200025704644 [1,1,0,0,0,0|2,0,0]=4 1277 B15R2.79765 C[C@H](O[13CH3])c1cccc2c1cccc2 7a_100011852130_200025704644 [1,1,0,0,0,0|2,0,0]=4 1278 B15R2.4 C#CC(=O)Cc1csc2c1cccc2 1458a_100000211873_200000742921 [0,1,0,0,1,0|2,0,0]=4 1279 B15R2.4 C=CC(=O)Cc1csc2c1cccc2 1458a_100000185746_200000742921 [0,1,0,0,1,0|2,0,0]=4 1280 B15R2.4 CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210202 [0,1,0,0,1,0|2,0,0]=4 1281 B15R2.4 CCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210202 [0,1,0,0,1,0|2,0,0]=4 1282 B15R2.4 CCC(=O)Cc1csc2c1cccc2 1458a_100000210414_200000742921 [0,1,0,0,1,0|2,0,0]=4 1283 B15R2.4 CCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210202 [0,1,0,0,1,0|2,0,0]=4 1284 B15R2.4 CCC(=O)Cn1ccc2c1cccc2 1458a_100000743657_100000210202 [0,1,0,0,1,0|2,0,0]=4 1285 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 11a_106832991635_100000183835 [0,1,0,0,1,0|2,0,0]=4 1286 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 240690a_100102657272_100000183835 [0,1,0,0,1,0|2,0,0]=4 1287 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 527a_100102657272_100000183835 [0,1,0,0,1,0|2,0,0]=4 1288 B15R2.4 CNC(=O)Cc1coc2c1cccc2 11a_106832991635_100000217546 [0,1,0,0,1,0|2,0,0]=4 1289 B15R2.4 CNC(=O)Cc1coc2c1cccc2 1626a_100102657272_100000217546 [0,1,0,0,1,0|2,0,0]=4 1290 B15R2.4 CNC(=O)Cc1coc2c1cccc2 240690a_100102657272_100000217546 [0,1,0,0,1,0|2,0,0]=4 1291 B15R2.4 CNC(=O)Cc1coc2c1cccc2 527a_100102657272_100000217546 [0,1,0,0,1,0|2,0,0]=4 1292 B15R2.4 CNC(=O)Cc1csc2c1cccc2 11a_106832991635_100000741031 [0,1,0,0,1,0|2,0,0]=4 1293 B15R2.4 CNC(=O)Cc1csc2c1cccc2 1626a_100102657272_100000741031 [0,1,0,0,1,0|2,0,0]=4 1294 B15R2.4 CNC(=O)Cc1csc2c1cccc2 240690a_100102657272_100000741031 [0,1,0,0,1,0|2,0,0]=4 1295 B15R2.4 CNC(=O)Cc1csc2c1cccc2 527a_100102657272_100000741031 [0,1,0,0,1,0|2,0,0]=4 1296 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 11a_106832991635_100000743657 [0,1,0,0,1,0|2,0,0]=4 1297 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 1626a_100102657272_100000743657 [0,1,0,0,1,0|2,0,0]=4 1298 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 240690a_100102657272_100000743657 [0,1,0,0,1,0|2,0,0]=4 1299 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 527a_100102657272_100000743657 [0,1,0,0,1,0|2,0,0]=4 1300 B15R2.4 O=C(CF)Cc1c[nH]c2c1cccc2 1458a_100000183835_100015361967 [0,1,0,0,1,0|2,0,0]=4 1301 B15R2.4 O=C(CF)Cc1coc2c1cccc2 1458a_100000217546_100015361967 [0,1,0,0,1,0|2,0,0]=4 1302 B15R2.4 O=C(CF)Cc1csc2c1cccc2 1458a_100000741031_100015361967 [0,1,0,0,1,0|2,0,0]=4 1303 B15R2.4 O=C(CF)Cn1ccc2c1cccc2 1458a_100000743657_100015361967 [0,1,0,0,1,0|2,0,0]=4 1304 B15R2.4 O=C(CO)Cc1csc2c1cccc2 1458a_100000210174_200000742921 [0,1,0,0,1,0|1,0,0]=3 1305 B15R2.4 O=C(CO)Cc1noc2c1cccc2 1458a_100000210174_100009813815 [0,1,0,0,1,0|2,0,0]=4 1306 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_200000210301 [0,1,0,0,1,0|2,0,0]=4 1307 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200000210301 [0,1,0,0,1,0|2,0,0]=4 1308 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_200000210301 [0,1,0,0,1,0|2,0,0]=4 1309 B15R2.377 CC(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_200000210301 [0,1,0,0,1,0|2,0,0]=4 1310 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_200025704644 [0,1,0,0,1,0|2,0,0]=4 1311 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200025704644 [0,1,0,0,1,0|2,0,0]=4 1312 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_200025704644 [0,1,0,0,1,0|2,0,0]=4 1313 B15R2.377 [13CH3]C(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_200025704644 [0,1,0,0,1,0|2,0,0]=4 1314 B15R2.993 CC(=O)Cc1c([nH]c2c1cccc2)C 1458a_100000737320_200000210301 [0,1,0,0,1,0|2,0,0]=4 1315 B15R2.993 CC(=O)Cn1c(cc2c1cccc2)C 1458a_100000209841_200000210301 [0,1,0,0,1,0|2,0,0]=4 1316 B15R2.993 Cc1[nH]c2ccccc2c1CC(=O)[13CH3] 1458a_100000737320_200025704644 [0,1,0,0,1,0|2,0,0]=4 1317 B15R2.993 Cc1cc2ccccc2n1CC(=O)[13CH3] 1458a_100000209841_200025704644 [0,1,0,0,1,0|2,0,0]=4 1318 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200000210301 [0,1,0,0,1,0|2,0,0]=4 1319 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_200000210301 [0,1,0,0,1,0|2,0,0]=4 1320 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200000210301 [0,1,0,0,1,0|2,0,0]=4 1321 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200000210301 [0,1,0,0,1,0|2,0,0]=4 1322 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [0,1,0,0,1,0|2,0,0]=4 1323 B15R2.9410 CC(=O)Cc1coc2c1cc(cc2)C 1458a_100000188615_200000210301 [0,1,0,0,1,0|2,0,0]=4 1324 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)C 1458a_100000242747_200000210301 [0,1,0,0,1,0|2,0,0]=4 1325 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000070787_100009814428 [0,1,0,0,1,0|2,0,0]=4 1326 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_200000210301 [0,1,0,0,1,0|2,0,0]=4 1327 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)F 1458a_100000070787_100010109839 [0,1,0,0,1,0|2,0,0]=4 1328 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)Br 1458a_200000721800_200000210301 [0,1,0,0,1,0|2,0,0]=4 1329 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)Cl 1458a_100000744275_200000210301 [0,1,0,0,1,0|2,0,0]=4 1330 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)F 1458a_100000721773_200000210301 [0,1,0,0,1,0|2,0,0]=4 1331 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100102525273_200025704644 [0,1,0,0,1,0|2,0,0]=4 1332 B15R2.9410 Cc1ccc2occ(c2c1)CC(=O)[13CH3] 1458a_100000188615_200025704644 [0,1,0,0,1,0|2,0,0]=4 1333 B15R2.9410 Cc1ccc2scc(c2c1)CC(=O)[13CH3] 1458a_100000242747_200025704644 [0,1,0,0,1,0|2,0,0]=4 1334 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009990690 [0,1,0,0,1,0|2,0,0]=4 1335 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200025704644 [0,1,0,0,1,0|2,0,0]=4 1336 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200025704644 [0,1,0,0,1,0|2,0,0]=4 1337 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200025704644 [0,1,0,0,1,0|2,0,0]=4 1338 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [0,1,0,0,1,0|2,0,0]=4 1339 B15R2.9410 [13CH3]C(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_200025704644 [0,1,0,0,1,0|2,0,0]=4 1340 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)Br 1458a_200000721800_200025704644 [0,1,0,0,1,0|2,0,0]=4 1341 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)Cl 1458a_100000744275_200025704644 [0,1,0,0,1,0|2,0,0]=4 1342 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)F 1458a_100000721773_200025704644 [0,1,0,0,1,0|2,0,0]=4 1343 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_200000210301 [0,1,0,0,1,0|2,0,0]=4 1344 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2C 1458a_200000049093_200000210301 [0,1,0,0,1,0|2,0,0]=4 1345 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_200000210301 [0,1,0,0,1,0|2,0,0]=4 1346 B15R2.13587 CC(=O)Cn1ccc2c1cccc2Cl 1458a_200000721796_200000210301 [0,1,0,0,1,0|2,0,0]=4 1347 B15R2.13587 CC(=O)Cn1ccc2c1cccc2F 1458a_100012177210_200000210301 [0,1,0,0,1,0|2,0,0]=4 1348 B15R2.13587 Cc1cccc2c1[nH]cc2CC(=O)[13CH3] 1458a_200000049093_200025704644 [0,1,0,0,1,0|2,0,0]=4 1349 B15R2.13587 [13CH3]C(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_200025704644 [0,1,0,0,1,0|2,0,0]=4 1350 B15R2.13587 [13CH3]C(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_200025704644 [0,1,0,0,1,0|2,0,0]=4 1351 B15R2.13587 [13CH3]C(=O)Cn1ccc2c1cccc2Cl 1458a_200000721796_200025704644 [0,1,0,0,1,0|2,0,0]=4 1352 B15R2.13587 [13CH3]C(=O)Cn1ccc2c1cccc2F 1458a_100012177210_200025704644 [0,1,0,0,1,0|2,0,0]=4 1353 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_200000210301 [0,1,0,0,1,0|2,0,0]=4 1354 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)C 1458a_100102558282_200000210301 [0,1,0,0,1,0|2,0,0]=4 1355 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_200000210301 [0,1,0,0,1,0|2,0,0]=4 1356 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_200000210301 [0,1,0,0,1,0|2,0,0]=4 1357 B15R2.13624 Cc1cccc2c1c(c[nH]2)CC(=O)[13CH3] 1458a_100102558282_200025704644 [0,1,0,0,1,0|2,0,0]=4 1358 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_200025704644 [0,1,0,0,1,0|2,0,0]=4 1359 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_200025704644 [0,1,0,0,1,0|2,0,0]=4 1360 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_200025704644 [0,1,0,0,1,0|2,0,0]=4 1361 B15R2.53147 CC(=O)Cc1cn(c2c1cccc2)C 1458a_100011218532_200000210301 [0,1,0,0,1,0|2,0,0]=4 1362 B15R2.53147 Cn1cc(c2c1cccc2)CC(=O)[13CH3] 1458a_100011218532_200025704644 [0,1,0,0,1,0|2,0,0]=4 1363 B15R2.19139 C#CC(=O)Cc1cccc2c1scc2 1458a_100000211873_100009816938 [0,1,0,0,1,0|2,0,0]=4 1364 B15R2.19139 C=CC(=O)Cc1cccc2c1scc2 1458a_100000185746_100009816938 [0,1,0,0,1,0|2,0,0]=4 1365 B15R2.19139 CCC(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_100000210202 [0,1,0,0,1,0|2,0,0]=4 1366 B15R2.19139 CCC(=O)Cc1cccc2c1cco2 1458a_100000077588_100000210202 [0,1,0,0,1,0|2,0,0]=4 1367 B15R2.19139 CCC(=O)Cc1cccc2c1scc2 1458a_100000210414_100009816938 [0,1,0,0,1,0|2,0,0]=4 1368 B15R2.19139 CNC(=O)Cc1cccc2c1cc[nH]2 11a_106832991635_100000094506 [0,1,0,0,1,0|2,0,0]=4 1369 B15R2.19139 CNC(=O)Cc1cccc2c1cc[nH]2 527a_100102657272_100000094506 [0,1,0,0,1,0|2,0,0]=4 1370 B15R2.19139 CNC(=O)Cc1cccc2c1cco2 11a_106832991635_100000077588 [0,1,0,0,1,0|2,0,0]=4 1371 B15R2.19139 CNC(=O)Cc1cccc2c1cco2 1626a_100102657272_100000077588 [0,1,0,0,1,0|2,0,0]=4 1372 B15R2.19139 CNC(=O)Cc1cccc2c1cco2 240690a_100102657272_100000077588 [0,1,0,0,1,0|2,0,0]=4 1373 B15R2.19139 CNC(=O)Cc1cccc2c1cco2 527a_100102657272_100000077588 [0,1,0,0,1,0|2,0,0]=4 1374 B15R2.19139 O=C(CF)Cc1cccc2c1cc[nH]2 1458a_100000094506_100015361967 [0,1,0,0,1,0|2,0,0]=4 1375 B15R2.19139 O=C(CF)Cc1cccc2c1cco2 1458a_100000077588_100015361967 [0,1,0,0,1,0|2,0,0]=4 1376 B15R2.19139 O=C(CO)Cc1cccc2c1[nH]nc2 1458a_100000210174_100000099550 [0,1,0,0,1,0|2,0,0]=4 1377 B15R2.19139 O=C(CO)Cc1cccc2c1cn[nH]2 1458a_100000210174_100020636439 [0,1,0,0,1,0|2,0,0]=4 1378 B15R2.19139 O=C(CO)Cc1cccc2c1ncs2 1458a_100000210174_100010883896 [0,1,0,0,1,0|2,0,0]=4 1379 B15R2.19139 O=C(CO)Cc1cccc2c1scc2 1458a_100000210174_100009816938 [0,1,0,0,1,0|1,0,0]=3 1380 B15R2.19139 O=C(CO)Cc1cccc2n1ccn2 1458a_100000210174_200020640960 [0,1,0,0,1,0|2,0,0]=4 1381 B15R2.19139 O=C(CO)Nc1cccc2c1[nH]cc2 22a_100000685717_100000210174 [0,1,0,0,1,0|2,0,0]=4 1382 B15R2.19139 O=C(CO)Nc1cccc2c1[nH]cc2 527a_100000685717_100000210174 [0,1,0,0,1,0|2,0,0]=4 1383 B15R2.19139 O=C(CO)Nc1cccc2c1cc[nH]2 22a_100011218720_100000210174 [0,1,0,0,1,0|2,0,0]=4 1384 B15R2.19139 O=C(CO)Nc1cccc2c1cc[nH]2 527a_100011218720_100000210174 [0,1,0,0,1,0|2,0,0]=4 1385 B15R2.19139 O=C(CO)Nc1cccc2c1ccs2 22a_100020628958_100000210174 [0,1,0,0,1,0|2,0,0]=4 1386 B15R2.384 CC(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_200000210301 [0,1,0,0,1,0|1,0,0]=3 1387 B15R2.384 CC(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_200000210301 [0,1,0,0,1,0|1,0,0]=3 1388 B15R2.384 CC(=O)c1cccc2c1ccc(n2)Cl 1458a_100010238459_200000210301 [0,1,0,0,1,0|2,0,0]=4 1389 B15R2.384 CC(=O)c1cccc2c1ccc(n2)O 1458a_100012002957_200000210301 [0,1,0,0,1,0|2,0,0]=4 1390 B15R2.384 CC(=O)c1cccc2c1ncc(c2)Br 1458a_100000757743_200000210301 [0,1,0,0,1,0|2,0,0]=4 1391 B15R2.384 [13CH3]C(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_200025704644 [0,1,0,0,1,0|1,0,0]=3 1392 B15R2.384 [13CH3]C(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_200025704644 [0,1,0,0,1,0|1,0,0]=3 1393 B15R2.384 [13CH3]C(=O)c1cccc2c1ccc(n2)Cl 1458a_100010238459_200025704644 [0,1,0,0,1,0|2,0,0]=4 1394 B15R2.384 [13CH3]C(=O)c1cccc2c1ccc(n2)O 1458a_100012002957_200025704644 [0,1,0,0,1,0|2,0,0]=4 1395 B15R2.384 [13CH3]C(=O)c1cccc2c1ncc(c2)Br 1458a_100000757743_200025704644 [0,1,0,0,1,0|2,0,0]=4 1396 B15R2.988 C=C(C)c1cc(cc2c1cccc2)N 271570a_100000694244_100010089974 [0,1,0,0,1,0|2,0,0]=4 1397 B15R2.988 C=C(C)c1cc(cc2c1cccc2)O 271570a_100000694244_100010001680 [0,1,0,0,1,0|2,0,0]=4 1398 B15R2.988 CC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_200000210301 [0,1,0,0,1,0|1,0,0]=3 1399 B15R2.988 CC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_200000210301 [0,1,0,0,1,0|1,0,0]=3 1400 B15R2.988 CC(=O)c1cc(cc2c1nccc2)Br 1458a_200000739006_200000210301 [0,1,0,0,1,0|2,0,0]=4 1401 B15R2.988 CC(=O)c1cc(cc2c1nccc2)Cl 1458a_100000026696_200000210301 [0,1,0,0,1,0|2,0,0]=4 1402 B15R2.988 NC(=O)c1cc(nc2c1cccc2)O 271570a_203496583355_200000188934 [0,1,0,0,1,0|2,0,0]=4 1403 B15R2.988 [13CH3]C(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_200025704644 [0,1,0,0,1,0|1,0,0]=3 1404 B15R2.988 [13CH3]C(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_200025704644 [0,1,0,0,1,0|1,0,0]=3 1405 B15R2.988 [13CH3]C(=O)c1cc(cc2c1nccc2)Br 1458a_200000739006_200025704644 [0,1,0,0,1,0|2,0,0]=4 1406 B15R2.988 [13CH3]C(=O)c1cc(cc2c1nccc2)Cl 1458a_100000026696_200025704644 [0,1,0,0,1,0|2,0,0]=4 1407 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)Br 271570a_100000694244_100010090040 [0,1,0,0,1,0|2,0,0]=4 1408 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)C 271570a_100000694244_100000759710 [0,1,0,0,1,0|2,0,0]=4 1409 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)N 271570a_100000694244_100000705303 [0,1,0,0,1,0|2,0,0]=4 1410 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)O 271570a_100000694244_100000183829 [0,1,0,0,1,0|2,0,0]=4 1411 B15R2.1162 CC(=O)c1c(ccc2c1cccc2)C 1458a_100011933975_200000210301 [0,1,0,0,1,0|1,0,0]=3 1412 B15R2.1162 CC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_200000210301 [0,1,0,0,1,0|1,0,0]=3 1413 B15R2.1162 CC(=O)c1c(ccc2c1nccc2)Br 1458a_100010988647_200000210301 [0,1,0,0,1,0|2,0,0]=4 1414 B15R2.1162 CC(=O)c1c(ccc2c1nccc2)C 1458a_200009847721_200000210301 [0,1,0,0,1,0|2,0,0]=4 1415 B15R2.1162 Cc1ccc2ccccc2c1C(=O)[13CH3] 1458a_100011933975_200025704644 [0,1,0,0,1,0|1,0,0]=3 1416 B15R2.1162 Cc1ccc2cccnc2c1C(=O)[13CH3] 1458a_200009847721_200025704644 [0,1,0,0,1,0|2,0,0]=4 1417 B15R2.1162 [13CH3]C(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_200025704644 [0,1,0,0,1,0|1,0,0]=3 1418 B15R2.1162 [13CH3]C(=O)c1c(ccc2c1nccc2)Br 1458a_100010988647_200025704644 [0,1,0,0,1,0|2,0,0]=4 1419 B15R2.7268 C=C(C)c1cccc2c1cc(cc2)O 271570a_100000694244_100010169565 [0,1,0,0,1,0|2,0,0]=4 1420 B15R2.7268 CC(=O)c1cccc2c1cc(cc2)Br 1458a_100010238973_200000210301 [0,1,0,0,1,0|1,0,0]=3 1421 B15R2.7268 CC(=O)c1cccc2c1cc(cn2)Br 1458a_100010264088_200000210301 [0,1,0,0,1,0|2,0,0]=4 1422 B15R2.7268 [13CH3]C(=O)c1cccc2c1cc(cc2)Br 1458a_100010238973_200025704644 [0,1,0,0,1,0|1,0,0]=3 1423 B15R2.7268 [13CH3]C(=O)c1cccc2c1cc(cn2)Br 1458a_100010264088_200025704644 [0,1,0,0,1,0|2,0,0]=4 1424 B15R2.13611 C=C(C)c1cccc2c1cccc2F 271570a_100000694244_100009817034 [0,1,0,0,1,0|2,0,0]=4 1425 B15R2.13611 C=C(C)c1cccc2c1cccc2N 271570a_100000694244_100009816864 [0,1,0,0,1,0|2,0,0]=4 1426 B15R2.13611 C=C(C)c1cccc2c1cccc2O 271570a_100000694244_100010003857 [0,1,0,0,1,0|2,0,0]=4 1427 B15R2.13611 CC(=O)c1cccc2c1[nH]ccc2=O 1458a_200009839988_200000210301 [0,1,0,0,1,0|2,0,0]=4 1428 B15R2.13611 CC(=O)c1cccc2c1cc[nH]c2=O 1458a_100009849167_200000210301 [0,1,0,0,1,0|2,0,0]=4 1429 B15R2.13611 CC(=O)c1cccc2c1cccc2Br 1458a_100000188299_200000210301 [0,1,0,0,1,0|1,0,0]=3 1430 B15R2.13611 CC(=O)c1cccc2c1cccc2F 1458a_200000069828_200000210301 [0,1,0,0,1,0|1,0,0]=3 1431 B15R2.13611 CC(=O)c1cccc2c1cccc2O 1458a_100009866505_200000210301 [0,1,0,0,1,0|1,0,0]=3 1432 B15R2.13611 [13CH3]C(=O)c1cccc2c1[nH]ccc2=O 1458a_200009839988_200025704644 [0,1,0,0,1,0|2,0,0]=4 1433 B15R2.13611 [13CH3]C(=O)c1cccc2c1cc[nH]c2=O 1458a_100009849167_200025704644 [0,1,0,0,1,0|2,0,0]=4 1434 B15R2.13611 [13CH3]C(=O)c1cccc2c1cccc2Br 1458a_100000188299_200025704644 [0,1,0,0,1,0|1,0,0]=3 1435 B15R2.13611 [13CH3]C(=O)c1cccc2c1cccc2F 1458a_200000069828_200025704644 [0,1,0,0,1,0|1,0,0]=3 1436 B15R2.13611 [13CH3]C(=O)c1cccc2c1cccc2O 1458a_100009866505_200025704644 [0,1,0,0,1,0|1,0,0]=3 1437 B15R2.14628 C=C(C)c1ccc(c2c1cccc2)Br 271570a_100000694244_100012339872 [0,1,0,0,1,0|2,0,0]=4 1438 B15R2.14628 C=C(C)c1ccc(c2c1cccc2)C 271570a_100000694244_100011215156 [0,1,0,0,1,0|2,0,0]=4 1439 B15R2.14628 C=C(C)c1ccc(c2c1cccc2)F 271570a_100000694244_100011218216 [0,1,0,0,1,0|2,0,0]=4 1440 B15R2.14628 C=C(C)c1ccc(c2c1cccc2)N 271570a_100000694244_100000766797 [0,1,0,0,1,0|2,0,0]=4 1441 B15R2.14628 C=C(C)c1ccc(c2c1cccc2)O 271570a_100000694244_100000186334 [0,1,0,0,1,0|2,0,0]=4 1442 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_200000210301 [0,1,0,0,1,0|1,0,0]=3 1443 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)C 1458a_100011217726_200000210301 [0,1,0,0,1,0|1,0,0]=3 1444 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_200000210301 [0,1,0,0,1,0|1,0,0]=3 1445 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_200000210301 [0,1,0,0,1,0|1,0,0]=3 1446 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)O 271570a_203496583355_100012355271 [0,1,0,0,1,0|1,0,0]=3 1447 B15R2.14628 CC(=O)c1ccc(c2c1cccn2)Br 1458a_100010168774_200000210301 [0,1,0,0,1,0|2,0,0]=4 1448 B15R2.14628 CC(=O)c1ccc(c2c1cccn2)O 1458a_100000038990_200000210301 [0,1,0,0,1,0|2,0,0]=4 1449 B15R2.14628 CC(=O)c1ccc(c2c1nccc2)Br 1458a_100000698167_200000210301 [0,1,0,0,1,0|2,0,0]=4 1450 B15R2.14628 Cc1ccc(c2c1cccc2)C(=O)[13CH3] 1458a_100011217726_200025704644 [0,1,0,0,1,0|1,0,0]=3 1451 B15R2.14628 NC(=O)c1ccc(c2c1nccc2)O 271570a_203496583355_200010988769 [0,1,0,0,1,0|2,0,0]=4 1452 B15R2.14628 OB(O)c1ccc(c2c1cccc2)O 271570a_203496583355_100010197674 [0,1,0,0,1,0|1,0,1]=4 1453 B15R2.14628 [13CH3]C(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_200025704644 [0,1,0,0,1,0|1,0,0]=3 1454 B15R2.14628 [13CH3]C(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_200025704644 [0,1,0,0,1,0|1,0,0]=3 1455 B15R2.14628 [13CH3]C(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_200025704644 [0,1,0,0,1,0|1,0,0]=3 1456 B15R2.14628 [13CH3]C(=O)c1ccc(c2c1cccn2)Br 1458a_100010168774_200025704644 [0,1,0,0,1,0|2,0,0]=4 1457 B15R2.14628 [13CH3]C(=O)c1ccc(c2c1cccn2)O 1458a_100000038990_200025704644 [0,1,0,0,1,0|2,0,0]=4 1458 B15R2.14628 [13CH3]C(=O)c1ccc(c2c1nccc2)Br 1458a_100000698167_200025704644 [0,1,0,0,1,0|2,0,0]=4 1459 B15R2.61345 C=C(C)c1cccc2c1c(ccc2)Br 271570a_100000694244_100010243825 [0,1,0,0,1,0|2,0,0]=4 1460 B15R2.61345 C=C(C)c1cccc2c1c(ccc2)C 271570a_100000694244_100009995290 [0,1,0,0,1,0|2,0,0]=4 1461 B15R2.61345 C=C(C)c1cccc2c1c(ccc2)F 271570a_100000694244_100010177852 [0,1,0,0,1,0|2,0,0]=4 1462 B15R2.61345 C=C(C)c1cccc2c1c(ccc2)N 271570a_100000694244_100010002837 [0,1,0,0,1,0|2,0,0]=4 1463 B15R2.61345 C=C(C)c1cccc2c1c(ccc2)O 271570a_100000694244_100010089961 [0,1,0,0,1,0|2,0,0]=4 1464 B15R2.61345 CC(=O)c1cccc2c1c(ccc2)Br 1458a_100000698601_200000210301 [0,1,0,0,1,0|1,0,0]=3 1465 B15R2.61345 CC(=O)c1cccc2c1c(ccc2)C 1458a_100009854087_200000210301 [0,1,0,0,1,0|1,0,0]=3 1466 B15R2.61345 CC(=O)c1cccc2c1c(ccc2)I 1458a_100000040841_200000210301 [0,1,0,0,1,0|1,0,0]=3 1467 B15R2.61345 Cc1cccc2c1c(ccc2)C(=O)[13CH3] 1458a_100009854087_200025704644 [0,1,0,0,1,0|1,0,0]=3 1468 B15R2.61345 OB(O)c1cccc2c1c(ccc2)O 271570a_203496583355_100010243829 [0,1,0,0,1,0|1,0,1]=4 1469 B15R2.61345 [13CH3]C(=O)c1cccc2c1c(ccc2)Br 1458a_100000698601_200025704644 [0,1,0,0,1,0|1,0,0]=3 1470 B15R2.61345 [13CH3]C(=O)c1cccc2c1c(ccc2)I 1458a_100000040841_200025704644 [0,1,0,0,1,0|1,0,0]=3 1471 B17R2.3462 C=C(C)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100000748629 [0,1,0,0,0,1|2,0,0]=4 1472 B17R2.3462 C=C(C)CNc1cccc2c1ccc(c2)O 34a_100000034668_100000748629 [0,1,0,0,0,1|2,0,0]=4 1473 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000748629 [0,1,0,0,0,1|2,0,0]=4 1474 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000748629 [0,1,0,0,0,1|2,0,0]=4 1475 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)F 34a_100009846233_100000748629 [0,1,0,0,0,1|2,0,0]=4 1476 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)F 7a_100009846233_100000748629 [0,1,0,0,0,1|2,0,0]=4 1477 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)N 34a_100000035793_100000748629 [0,1,0,0,0,1|2,0,0]=4 1478 B17R2.3462 C=C(F)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100009893438 [0,1,0,0,0,1|2,0,0]=4 1479 B17R2.3462 C=C(F)CNc1cccc2c1ccc(c2)O 34a_100000034668_100009893438 [0,1,0,0,0,1|2,0,0]=4 1480 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)Br 34a_100010202202_100009893438 [0,1,0,0,0,1|2,0,0]=4 1481 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000042424 [0,1,0,0,0,1|2,0,0]=4 1482 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)F 34a_100009846233_100009893438 [0,1,0,0,0,1|2,0,0]=4 1483 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)F 7a_100009846233_100000042424 [0,1,0,0,0,1|2,0,0]=4 1484 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)N 34a_100000035793_100009893438 [0,1,0,0,0,1|2,0,0]=4 1485 B17R2.3462 CC(=O)CSc1ccnc2c1ccc(c2)Cl 1458a_100000156280_200000210301 [0,1,0,0,0,1|2,0,0]=4 1486 B17R2.3462 CC(O)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100011218427 [0,1,0,0,0,1|1,0,1]=4 1487 B17R2.3462 CC(O)CNc1cccc2c1ccc(c2)O 34a_100000034668_100011218427 [0,1,0,0,0,1|1,0,1]=4 1488 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100011218427 [0,1,0,0,0,1|1,0,1]=4 1489 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100011218427 [0,1,0,0,0,1|1,0,1]=4 1490 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)F 34a_100009846233_100011218427 [0,1,0,0,0,1|1,0,1]=4 1491 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)F 7a_100009846233_100011218427 [0,1,0,0,0,1|1,0,1]=4 1492 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)N 34a_100000035793_100011218427 [0,1,0,0,0,1|1,0,1]=4 1493 B17R2.3462 C[C@@H](O)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100009817552 [0,1,0,0,0,1|1,0,1]=4 1494 B17R2.3462 C[C@@H](O)CNc1cccc2c1ccc(c2)O 34a_100000034668_100009817552 [0,1,0,0,0,1|1,0,1]=4 1495 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100009817552 [0,1,0,0,0,1|1,0,1]=4 1496 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100009817552 [0,1,0,0,0,1|1,0,1]=4 1497 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)F 34a_100009846233_100009817552 [0,1,0,0,0,1|1,0,1]=4 1498 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)F 7a_100009846233_100009817552 [0,1,0,0,0,1|1,0,1]=4 1499 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)N 34a_100000035793_100009817552 [0,1,0,0,0,1|1,0,1]=4 1500 B17R2.3462 Cc1ccc2c(cccc2n1)NCC(=O)N 34a_106741707140_100000187820 [0,1,0,0,0,1|2,0,0]=4 1501 B17R2.3462 Cc1ccc2c(cccc2n1)NCC(=O)[O-] 34a_106741707140_100020667443 [0,1,0,0,0,1|1,0,1]=4 1502 B17R2.3462 Cc1ccc2c(cccc2n1)SCC(=O)N 62a_100000747473_100010173736 [0,1,0,0,0,1|2,0,0]=4 1503 B17R2.3462 Cc1ccc2c(cccc2n1)SCC(=O)N 62a_100010173736_100000747473 [0,1,0,0,0,1|2,0,0]=4 1504 B17R2.3462 Cc1ccc2c(cccc2n1)SCC(=O)[O-] 62a_100010173736_100020667443 [0,1,0,0,0,1|1,0,1]=4 1505 B17R2.3462 Cc1ccc2c(cccc2n1)SCC(=O)[O-] 62a_100020667443_100010173736 [0,1,0,0,0,1|1,0,1]=4 1506 B17R2.3462 Cc1ccc2c(nccc2c1)SCC(=O)N 62a_100000747473_100000102439 [0,1,0,0,0,1|2,0,0]=4 1507 B17R2.3462 Cc1ccc2c(nccc2c1)SCC(=O)[O-] 62a_100020667443_100000102439 [0,1,0,0,0,1|1,0,1]=4 1508 B17R2.3462 Cc1cnc2c(cccc2c1)OCC(=O)N 34a_100000144662_100000187820 [0,1,0,0,0,1|2,0,0]=4 1509 B17R2.3462 Cc1cnc2c(cccc2c1)OCC(=O)N 7a_100000144662_100000187820 [0,1,0,0,0,1|2,0,0]=4 1510 B17R2.3462 Cc1cnc2c(cccc2c1)OCC(=O)[O-] 34a_100000144662_100020667443 [0,1,0,0,0,1|1,0,1]=4 1511 B17R2.3462 NC(=O)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100000187820 [0,1,0,0,0,1|1,0,0]=3 1512 B17R2.3462 NC(=O)CNc1cccc2c1ccc(c2)O 34a_100000034668_100000187820 [0,1,0,0,0,1|1,0,0]=3 1513 B17R2.3462 NC(=O)CNc1cccc2c1ncc(c2)Br 34a_100000702407_100000187820 [0,1,0,0,0,1|2,0,0]=4 1514 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000187820 [0,1,0,0,0,1|1,0,0]=3 1515 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000187820 [0,1,0,0,0,1|1,0,0]=3 1516 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)F 34a_100009846233_100000187820 [0,1,0,0,0,1|1,0,0]=3 1517 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)F 7a_100009846233_100000187820 [0,1,0,0,0,1|1,0,0]=3 1518 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)N 34a_100000035793_100000187820 [0,1,0,0,0,1|1,0,0]=3 1519 B17R2.3462 NC(=O)COc1cccc2c1ncc(c2)Cl 34a_100009858588_100000187820 [0,1,0,0,0,1|2,0,0]=4 1520 B17R2.3462 NC(=O)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100000187820 [0,1,0,0,0,1|2,0,0]=4 1521 B17R2.3462 NC(=O)COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000187820 [0,1,0,0,0,1|2,0,0]=4 1522 B17R2.3462 NC(=O)COc1ccnc2c1ccc(c2)F 34a_100000004115_100000187820 [0,1,0,0,0,1|2,0,0]=4 1523 B17R2.3462 NC(=O)COc1nccc2c1ccc(c2)Br 34a_100000760485_100000187820 [0,1,0,0,0,1|2,0,0]=4 1524 B17R2.3462 NC(=O)CSc1cccc2c1cc[n+](c2)[O-] 62a_100000747473_200010126733 [0,1,0,0,0,1|2,0,0]=4 1525 B17R2.3462 NC(=O)CSc1cccc2c1ccc(=O)[nH]2 62a_100000747473_100000726145 [0,1,0,0,0,1|2,0,0]=4 1526 B17R2.3462 NC(=O)CSc1cccc2c1ccc(n2)N 62a_100000723655_100000747473 [0,1,0,0,0,1|2,0,0]=4 1527 B17R2.3462 NC(=O)CSc1cccc2c1cnc(c2)N 62a_100000747473_100010201637 [0,1,0,0,0,1|2,0,0]=4 1528 B17R2.3462 NC(=O)CSc1cccc2c1cnc(c2)N 62a_100010201637_100000747473 [0,1,0,0,0,1|2,0,0]=4 1529 B17R2.3462 NC(=O)CSc1cccc2c1cnc(c2)O 62a_100000747473_100009817091 [0,1,0,0,0,1|2,0,0]=4 1530 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)Cl 62a_100000747473_100012352046 [0,1,0,0,0,1|2,0,0]=4 1531 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)Cl 62a_100012352046_100000747473 [0,1,0,0,0,1|2,0,0]=4 1532 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)F 62a_100000747473_100000755548 [0,1,0,0,0,1|2,0,0]=4 1533 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)F 62a_100000755548_100000747473 [0,1,0,0,0,1|2,0,0]=4 1534 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)O 62a_100000747473_100000045489 [0,1,0,0,0,1|2,0,0]=4 1535 B17R2.3462 NC(=O)CSc1nccc2c1ccc(c2)F 62a_100000747473_100000097391 [0,1,0,0,0,1|2,0,0]=4 1536 B17R2.3462 NC(=O)CSc1nccc2c1ccc(c2)O 62a_100000747473_100009867704 [0,1,0,0,0,1|2,0,0]=4 1537 B17R2.3462 Nc1cc2cccc(c2cn1)SCC(=O)[O-] 62a_100010201637_100020667443 [0,1,0,0,0,1|1,0,1]=4 1538 B17R2.3462 Nc1cc2cccc(c2cn1)SCC(=O)[O-] 62a_100020667443_100010201637 [0,1,0,0,0,1|1,0,1]=4 1539 B17R2.3462 Nc1ccc2c(cccc2c1)OCC(=O)[O-] 34a_100000035793_100020667443 [0,1,0,0,0,1|0,0,1]=3 1540 B17R2.3462 Nc1ccc2c(cccc2c1)OC[N+](=O)[O-] 34a_100000035793_100000761209 [0,1,0,0,0,1|1,0,1]=4 1541 B17R2.3462 Nc1ccc2c(cccc2n1)SCC(=O)[O-] 62a_100000723655_100020667443 [0,1,0,0,0,1|1,0,1]=4 1542 B17R2.3462 O=C([O-])CNc1cccc2c1ccc(c2)Br 34a_100010090037_100020667443 [0,1,0,0,0,1|0,0,1]=3 1543 B17R2.3462 O=C([O-])CNc1cccc2c1ccc(c2)O 34a_100000034668_100020667443 [0,1,0,0,0,1|0,0,1]=3 1544 B17R2.3462 O=C([O-])CNc1cccc2c1ncc(c2)Br 34a_100000702407_100020667443 [0,1,0,0,0,1|1,0,1]=4 1545 B17R2.3462 O=C([O-])COc1cccc2c1ccc(c2)Br 34a_100010202202_100020667443 [0,1,0,0,0,1|0,0,1]=3 1546 B17R2.3462 O=C([O-])COc1cccc2c1ccc(c2)F 34a_100009846233_100020667443 [0,1,0,0,0,1|0,0,1]=3 1547 B17R2.3462 O=C([O-])COc1cccc2c1ncc(c2)Cl 34a_100009858588_100020667443 [0,1,0,0,0,1|1,0,1]=4 1548 B17R2.3462 O=C([O-])COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100020667443 [0,1,0,0,0,1|1,0,1]=4 1549 B17R2.3462 O=C([O-])COc1ccnc2c1ccc(c2)F 34a_100000004115_100020667443 [0,1,0,0,0,1|1,0,1]=4 1550 B17R2.3462 O=C([O-])COc1nccc2c1ccc(c2)Br 34a_100000760485_100020667443 [0,1,0,0,0,1|1,0,1]=4 1551 B17R2.3462 O=C([O-])CSc1cccc2c1cc[n+](c2)[O-] 62a_100020667443_200010126733 [0,1,0,0,0,1|1,0,1]=4 1552 B17R2.3462 O=C([O-])CSc1cccc2c1ccc(=O)[nH]2 62a_100020667443_100000726145 [0,1,0,0,0,1|1,0,1]=4 1553 B17R2.3462 O=C([O-])CSc1cccc2c1cnc(c2)O 62a_100020667443_100009817091 [0,1,0,0,0,1|1,0,1]=4 1554 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)Cl 62a_100012352046_100020667443 [0,1,0,0,0,1|1,0,1]=4 1555 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)Cl 62a_100020667443_100012352046 [0,1,0,0,0,1|1,0,1]=4 1556 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)F 62a_100000755548_100020667443 [0,1,0,0,0,1|1,0,1]=4 1557 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)F 62a_100020667443_100000755548 [0,1,0,0,0,1|1,0,1]=4 1558 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)O 62a_100020667443_100000045489 [0,1,0,0,0,1|1,0,1]=4 1559 B17R2.3462 O=C([O-])CSc1nccc2c1ccc(c2)F 62a_100020667443_100000097391 [0,1,0,0,0,1|1,0,1]=4 1560 B17R2.3462 O=C([O-])CSc1nccc2c1ccc(c2)O 62a_100020667443_100009867704 [0,1,0,0,0,1|1,0,1]=4 1561 B17R2.3462 O=[N+]([O-])CNc1cccc2c1ccc(c2)Br 34a_100010090037_100000761209 [0,1,0,0,0,1|1,0,1]=4 1562 B17R2.3462 O=[N+]([O-])CNc1cccc2c1ccc(c2)O 34a_100000034668_100000761209 [0,1,0,0,0,1|1,0,1]=4 1563 B17R2.3462 O=[N+]([O-])COc1cccc2c1ccc(c2)Br 34a_100010202202_100000761209 [0,1,0,0,0,1|1,0,1]=4 1564 B17R2.3462 O=[N+]([O-])COc1cccc2c1ccc(c2)F 34a_100009846233_100000761209 [0,1,0,0,0,1|1,0,1]=4 1565 B17R2.3462 [13CH3]C(=O)CSc1ccnc2c1ccc(c2)Cl 1458a_100000156280_200025704644 [0,1,0,0,0,1|2,0,0]=4 1566 B17R2.5014 C=C(C)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100000748629 [0,1,0,0,0,1|2,0,0]=4 1567 B17R2.5014 C=C(C)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000748629 [0,1,0,0,0,1|2,0,0]=4 1568 B17R2.5014 C=C(C)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000748629 [0,1,0,0,0,1|2,0,0]=4 1569 B17R2.5014 C=C(C)CSc1cc(cc2c1cccc2)N 62a_100000748629_100010089974 [0,1,0,0,0,1|2,0,0]=4 1570 B17R2.5014 C=C(C)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000211660 [0,1,0,0,0,1|2,0,0]=4 1571 B17R2.5014 C=C(C)CSc1cc(cc2c1cccc2)O 62a_100000748629_100010001680 [0,1,0,0,0,1|2,0,0]=4 1572 B17R2.5014 C=C(F)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100009893438 [0,1,0,0,0,1|2,0,0]=4 1573 B17R2.5014 C=C(F)COc1cc(cc2c1cccc2)Br 34a_100010089979_100009893438 [0,1,0,0,0,1|2,0,0]=4 1574 B17R2.5014 C=C(F)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000042424 [0,1,0,0,0,1|2,0,0]=4 1575 B17R2.5014 C=C(F)CSc1cc(cc2c1cccc2)N 62a_100000042424_100010089974 [0,1,0,0,0,1|2,0,0]=4 1576 B17R2.5014 C=C(F)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000042424 [0,1,0,0,0,1|2,0,0]=4 1577 B17R2.5014 C=C(F)CSc1cc(cc2c1cccc2)O 62a_100000042424_100010001680 [0,1,0,0,0,1|2,0,0]=4 1578 B17R2.5014 CC(O)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100011218427 [0,1,0,0,0,1|1,0,1]=4 1579 B17R2.5014 CC(O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100011218427 [0,1,0,0,0,1|1,0,1]=4 1580 B17R2.5014 CC(O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100011218427 [0,1,0,0,0,1|1,0,1]=4 1581 B17R2.5014 CC(O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100011218427 [0,1,0,0,0,1|1,0,1]=4 1582 B17R2.5014 CC(O)CSc1cc(cc2c1cccc2)N 62a_100011218427_100010089974 [0,1,0,0,0,1|1,0,1]=4 1583 B17R2.5014 CC(O)CSc1cc(cc2c1cccc2)O 62a_100011218427_100010001680 [0,1,0,0,0,1|1,0,1]=4 1584 B17R2.5014 C[C@@H](O)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100009817552 [0,1,0,0,0,1|1,0,1]=4 1585 B17R2.5014 C[C@@H](O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100009817552 [0,1,0,0,0,1|1,0,1]=4 1586 B17R2.5014 C[C@@H](O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100009817552 [0,1,0,0,0,1|1,0,1]=4 1587 B17R2.5014 C[C@@H](O)CSc1cc(cc2c1cccc2)N 62a_100009817552_100010089974 [0,1,0,0,0,1|1,0,1]=4 1588 B17R2.5014 C[C@@H](O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100009817552 [0,1,0,0,0,1|1,0,1]=4 1589 B17R2.5014 C[C@@H](O)CSc1cc(cc2c1cccc2)O 62a_100009817552_100010001680 [0,1,0,0,0,1|1,0,1]=4 1590 B17R2.5014 Cc1cc(c2ccccc2n1)OCC(=O)N 34a_100000698765_100000187820 [0,1,0,0,0,1|2,0,0]=4 1591 B17R2.5014 Cc1cc(c2ccccc2n1)OCC(=O)[O-] 34a_100000698765_100020667443 [0,1,0,0,0,1|1,0,1]=4 1592 B17R2.5014 Cc1cc(c2ccccc2n1)SCC(=O)N 62a_100000747473_100000735862 [0,1,0,0,0,1|2,0,0]=4 1593 B17R2.5014 Cc1cc(c2ccccc2n1)SCC(=O)N 62a_100000764982_100000747473 [0,1,0,0,0,1|2,0,0]=4 1594 B17R2.5014 Cc1cc(c2ccccc2n1)SCC(=O)[O-] 62a_100000764982_100020667443 [0,1,0,0,0,1|1,0,1]=4 1595 B17R2.5014 Cc1cc(c2ccccc2n1)SCC(=O)[O-] 62a_100020667443_100000735862 [0,1,0,0,0,1|1,0,1]=4 1596 B17R2.5014 Cc1cc(c2ncccc2c1)OCC(=O)N 34a_100009888445_100000187820 [0,1,0,0,0,1|2,0,0]=4 1597 B17R2.5014 Cc1cc(c2ncccc2c1)OCC(=O)N 7a_100009888445_100000187820 [0,1,0,0,0,1|2,0,0]=4 1598 B17R2.5014 Cc1cc(c2ncccc2c1)OCC(=O)[O-] 34a_100009888445_100020667443 [0,1,0,0,0,1|1,0,1]=4 1599 B17R2.5014 Cc1cc(c2ncccc2c1)SCC(=O)N 62a_100000747473_100010113427 [0,1,0,0,0,1|2,0,0]=4 1600 B17R2.5014 Cc1cc(c2ncccc2c1)SCC(=O)[O-] 62a_100020667443_100010113427 [0,1,0,0,0,1|1,0,1]=4 1601 B17R2.5014 Cc1cc2ccccc2c(n1)SCC(=O)N 62a_100000747473_100000698243 [0,1,0,0,0,1|2,0,0]=4 1602 B17R2.5014 Cc1cc2ccccc2c(n1)SCC(=O)[O-] 62a_100020667443_100000698243 [0,1,0,0,0,1|1,0,1]=4 1603 B17R2.5014 NC(=O)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100000187820 [0,1,0,0,0,1|1,0,0]=3 1604 B17R2.5014 NC(=O)CNc1cc(cc2c1nccc2)Br 34a_100009814519_100000187820 [0,1,0,0,0,1|2,0,0]=4 1605 B17R2.5014 NC(=O)CNc1cc(cc2c1nccc2)Cl 34a_100000026717_100000187820 [0,1,0,0,0,1|2,0,0]=4 1606 B17R2.5014 NC(=O)CNc1cc(cc2c1nccc2)F 34a_100000088212_100000187820 [0,1,0,0,0,1|2,0,0]=4 1607 B17R2.5014 NC(=O)CNc1cc(cc2c1nccc2)O 34a_100000083691_100000187820 [0,1,0,0,0,1|2,0,0]=4 1608 B17R2.5014 NC(=O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000187820 [0,1,0,0,0,1|1,0,0]=3 1609 B17R2.5014 NC(=O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000187820 [0,1,0,0,0,1|1,0,0]=3 1610 B17R2.5014 NC(=O)COc1cc(cc2c1nccc2)Br 34a_100010248853_100000187820 [0,1,0,0,0,1|2,0,0]=4 1611 B17R2.5014 NC(=O)COc1cc(cc2c1nccc2)Br 7a_100010248853_100000187820 [0,1,0,0,0,1|2,0,0]=4 1612 B17R2.5014 NC(=O)COc1cc(cc2c1nccc2)Cl 34a_200000089624_100000187820 [0,1,0,0,0,1|2,0,0]=4 1613 B17R2.5014 NC(=O)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100000187820 [0,1,0,0,0,1|2,0,0]=4 1614 B17R2.5014 NC(=O)CSc1c[n+](cc2c1cccc2)[O-] 62a_100000747473_100009995557 [0,1,0,0,0,1|2,0,0]=4 1615 B17R2.5014 NC(=O)CSc1cc(=O)[nH]c2c1cccc2 62a_100000747473_100000075698 [0,1,0,0,0,1|2,0,0]=4 1616 B17R2.5014 NC(=O)CSc1cc(cc2c1cccc2)N 62a_100000747473_100010089974 [0,1,0,0,0,1|1,0,0]=3 1617 B17R2.5014 NC(=O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000747473 [0,1,0,0,0,1|1,0,0]=3 1618 B17R2.5014 NC(=O)CSc1cc(cc2c1cccc2)O 62a_100000747473_100010001680 [0,1,0,0,0,1|1,0,0]=3 1619 B17R2.5014 NC(=O)CSc1cc(cc2c1cncc2)O 62a_100000747473_100011009069 [0,1,0,0,0,1|2,0,0]=4 1620 B17R2.5014 NC(=O)CSc1cc(cc2c1nccc2)Br 62a_100000747473_100010090713 [0,1,0,0,0,1|2,0,0]=4 1621 B17R2.5014 NC(=O)CSc1cc(cc2c1nccc2)Br 62a_100010090713_100000747473 [0,1,0,0,0,1|2,0,0]=4 1622 B17R2.5014 NC(=O)CSc1cc(cc2c1nccc2)F 62a_100000747473_100010214460 [0,1,0,0,0,1|2,0,0]=4 1623 B17R2.5014 NC(=O)CSc1cc(cc2c1nccc2)F 62a_100010214460_100000747473 [0,1,0,0,0,1|2,0,0]=4 1624 B17R2.5014 NC(=O)CSc1nc(cc2c1cccc2)N 62a_100000747473_100009814382 [0,1,0,0,0,1|2,0,0]=4 1625 B17R2.5014 NC(=O)CSc1nc(cc2c1cccc2)N 62a_100009814382_100000747473 [0,1,0,0,0,1|2,0,0]=4 1626 B17R2.5014 Nc1cc(c2ccccc2c1)SCC(=O)[O-] 62a_100010089974_100020667443 [0,1,0,0,0,1|0,0,1]=3 1627 B17R2.5014 Nc1cc(c2ccccc2c1)SCC(=O)[O-] 62a_100020667443_100010089974 [0,1,0,0,0,1|0,0,1]=3 1628 B17R2.5014 Nc1cc(c2ccccc2c1)SC[N+](=O)[O-] 62a_100010089974_100000761209 [0,1,0,0,0,1|1,0,1]=4 1629 B17R2.5014 Nc1cc2ccccc2c(n1)SCC(=O)[O-] 62a_100009814382_100020667443 [0,1,0,0,0,1|1,0,1]=4 1630 B17R2.5014 Nc1cc2ccccc2c(n1)SCC(=O)[O-] 62a_100020667443_100009814382 [0,1,0,0,0,1|1,0,1]=4 1631 B17R2.5014 O=C([O-])CNc1cc(cc2c1cccc2)Br 34a_100010171453_100020667443 [0,1,0,0,0,1|0,0,1]=3 1632 B17R2.5014 O=C([O-])CNc1cc(cc2c1nccc2)Br 34a_100009814519_100020667443 [0,1,0,0,0,1|1,0,1]=4 1633 B17R2.5014 O=C([O-])CNc1cc(cc2c1nccc2)Cl 34a_100000026717_100020667443 [0,1,0,0,0,1|1,0,1]=4 1634 B17R2.5014 O=C([O-])CNc1cc(cc2c1nccc2)F 34a_100000088212_100020667443 [0,1,0,0,0,1|1,0,1]=4 1635 B17R2.5014 O=C([O-])CNc1cc(cc2c1nccc2)O 34a_100000083691_100020667443 [0,1,0,0,0,1|1,0,1]=4 1636 B17R2.5014 O=C([O-])COc1cc(cc2c1cccc2)Br 34a_100010089979_100020667443 [0,1,0,0,0,1|0,0,1]=3 1637 B17R2.5014 O=C([O-])COc1cc(cc2c1nccc2)Br 34a_100010248853_100020667443 [0,1,0,0,0,1|1,0,1]=4 1638 B17R2.5014 O=C([O-])COc1cc(cc2c1nccc2)Cl 34a_200000089624_100020667443 [0,1,0,0,0,1|1,0,1]=4 1639 B17R2.5014 O=C([O-])CSc1c[n+](cc2c1cccc2)[O-] 62a_100020667443_100009995557 [0,1,0,0,0,1|1,0,1]=4 1640 B17R2.5014 O=C([O-])CSc1cc(=O)[nH]c2c1cccc2 62a_100020667443_100000075698 [0,1,0,0,0,1|1,0,1]=4 1641 B17R2.5014 O=C([O-])CSc1cc(cc2c1cccc2)O 62a_100020667443_100010001680 [0,1,0,0,0,1|0,0,1]=3 1642 B17R2.5014 O=C([O-])CSc1cc(cc2c1cncc2)O 62a_100020667443_100011009069 [0,1,0,0,0,1|1,0,1]=4 1643 B17R2.5014 O=C([O-])CSc1cc(cc2c1nccc2)Br 62a_100010090713_100020667443 [0,1,0,0,0,1|1,0,1]=4 1644 B17R2.5014 O=C([O-])CSc1cc(cc2c1nccc2)Br 62a_100020667443_100010090713 [0,1,0,0,0,1|1,0,1]=4 1645 B17R2.5014 O=C([O-])CSc1cc(cc2c1nccc2)F 62a_100010214460_100020667443 [0,1,0,0,0,1|1,0,1]=4 1646 B17R2.5014 O=C([O-])CSc1cc(cc2c1nccc2)F 62a_100020667443_100010214460 [0,1,0,0,0,1|1,0,1]=4 1647 B17R2.5014 O=[N+]([O-])CNc1cc(cc2c1cccc2)Br 34a_100010171453_100000761209 [0,1,0,0,0,1|1,0,1]=4 1648 B17R2.5014 O=[N+]([O-])COc1cc(cc2c1cccc2)Br 34a_100010089979_100000761209 [0,1,0,0,0,1|1,0,1]=4 1649 B17R2.5385 C=C(C)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000748629 [0,1,0,0,0,1|2,0,0]=4 1650 B17R2.5385 C=C(C)CNc1c(ccc2c1cccc2)C 34a_100000688109_100000748629 [0,1,0,0,0,1|2,0,0]=4 1651 B17R2.5385 C=C(C)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000748629 [0,1,0,0,0,1|2,0,0]=4 1652 B17R2.5385 C=C(C)CNc1c(ccc2c1cccc2)O 34a_100000007056_100000748629 [0,1,0,0,0,1|2,0,0]=4 1653 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000748629 [0,1,0,0,0,1|2,0,0]=4 1654 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000748629 [0,1,0,0,0,1|2,0,0]=4 1655 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)C 34a_100000039261_100000748629 [0,1,0,0,0,1|2,0,0]=4 1656 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)C 7a_100000039261_100000748629 [0,1,0,0,0,1|2,0,0]=4 1657 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)N 34a_100000007060_100000748629 [0,1,0,0,0,1|2,0,0]=4 1658 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)C 62a_100000748629_100000759710 [0,1,0,0,0,1|2,0,0]=4 1659 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)C 62a_100000759710_100000211660 [0,1,0,0,0,1|2,0,0]=4 1660 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000211660 [0,1,0,0,0,1|2,0,0]=4 1661 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)N 62a_100000748629_100000705303 [0,1,0,0,0,1|2,0,0]=4 1662 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)O 62a_100000748629_100000183829 [0,1,0,0,0,1|2,0,0]=4 1663 B17R2.5385 C=C(F)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100009893438 [0,1,0,0,0,1|2,0,0]=4 1664 B17R2.5385 C=C(F)CNc1c(ccc2c1cccc2)C 34a_100000688109_100009893438 [0,1,0,0,0,1|2,0,0]=4 1665 B17R2.5385 C=C(F)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100009893438 [0,1,0,0,0,1|2,0,0]=4 1666 B17R2.5385 C=C(F)CNc1c(ccc2c1cccc2)O 34a_100000007056_100009893438 [0,1,0,0,0,1|2,0,0]=4 1667 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)Br 34a_100009996032_100009893438 [0,1,0,0,0,1|2,0,0]=4 1668 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000042424 [0,1,0,0,0,1|2,0,0]=4 1669 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)C 34a_100000039261_100009893438 [0,1,0,0,0,1|2,0,0]=4 1670 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)C 7a_100000039261_100000042424 [0,1,0,0,0,1|2,0,0]=4 1671 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)N 34a_100000007060_100009893438 [0,1,0,0,0,1|2,0,0]=4 1672 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)C 62a_100000042424_100000759710 [0,1,0,0,0,1|2,0,0]=4 1673 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)C 62a_100000759710_100000042424 [0,1,0,0,0,1|2,0,0]=4 1674 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)N 62a_100000042424_100000705303 [0,1,0,0,0,1|2,0,0]=4 1675 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000042424 [0,1,0,0,0,1|2,0,0]=4 1676 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)O 62a_100000042424_100000183829 [0,1,0,0,0,1|2,0,0]=4 1677 B17R2.5385 CC(O)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100011218427 [0,1,0,0,0,1|1,0,1]=4 1678 B17R2.5385 CC(O)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100011218427 [0,1,0,0,0,1|1,0,1]=4 1679 B17R2.5385 CC(O)CNc1c(ccc2c1cccc2)O 34a_100000007056_100011218427 [0,1,0,0,0,1|1,0,1]=4 1680 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100011218427 [0,1,0,0,0,1|1,0,1]=4 1681 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100011218427 [0,1,0,0,0,1|1,0,1]=4 1682 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)N 34a_100000007060_100011218427 [0,1,0,0,0,1|1,0,1]=4 1683 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100011218427 [0,1,0,0,0,1|1,0,1]=4 1684 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)Br 62a_100011218427_100010090040 [0,1,0,0,0,1|1,0,1]=4 1685 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100011218427 [0,1,0,0,0,1|1,0,1]=4 1686 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)N 62a_100011218427_100000705303 [0,1,0,0,0,1|1,0,1]=4 1687 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)O 62a_100011218427_100000183829 [0,1,0,0,0,1|1,0,1]=4 1688 B17R2.5385 C[C@@H](O)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100009817552 [0,1,0,0,0,1|1,0,1]=4 1689 B17R2.5385 C[C@@H](O)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100009817552 [0,1,0,0,0,1|1,0,1]=4 1690 B17R2.5385 C[C@@H](O)CNc1c(ccc2c1cccc2)O 34a_100000007056_100009817552 [0,1,0,0,0,1|1,0,1]=4 1691 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100009817552 [0,1,0,0,0,1|1,0,1]=4 1692 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100009817552 [0,1,0,0,0,1|1,0,1]=4 1693 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)N 34a_100000007060_100009817552 [0,1,0,0,0,1|1,0,1]=4 1694 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)Br 62a_100009817552_100010090040 [0,1,0,0,0,1|1,0,1]=4 1695 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100009817552 [0,1,0,0,0,1|1,0,1]=4 1696 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100009817552 [0,1,0,0,0,1|1,0,1]=4 1697 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)N 62a_100009817552_100000705303 [0,1,0,0,0,1|1,0,1]=4 1698 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)O 62a_100009817552_100000183829 [0,1,0,0,0,1|1,0,1]=4 1699 B17R2.5385 Cc1ccc2ccccc2c1NCC(=O)N 34a_100000688109_100000187820 [0,1,0,0,0,1|1,0,0]=3 1700 B17R2.5385 Cc1ccc2ccccc2c1NCC(=O)[O-] 34a_100000688109_100020667443 [0,1,0,0,0,1|0,0,1]=3 1701 B17R2.5385 Cc1ccc2ccccc2c1NCC(C)O 34a_100000688109_100011218427 [0,1,0,0,0,1|1,0,1]=4 1702 B17R2.5385 Cc1ccc2ccccc2c1NC[C@@H](C)O 34a_100000688109_100009817552 [0,1,0,0,0,1|1,0,1]=4 1703 B17R2.5385 Cc1ccc2ccccc2c1NC[N+](=O)[O-] 34a_100000688109_100000761209 [0,1,0,0,0,1|1,0,1]=4 1704 B17R2.5385 Cc1ccc2ccccc2c1OCC(=O)N 34a_100000039261_100000187820 [0,1,0,0,0,1|1,0,0]=3 1705 B17R2.5385 Cc1ccc2ccccc2c1OCC(=O)N 7a_100000039261_100000187820 [0,1,0,0,0,1|1,0,0]=3 1706 B17R2.5385 Cc1ccc2ccccc2c1OCC(=O)[O-] 34a_100000039261_100020667443 [0,1,0,0,0,1|0,0,1]=3 1707 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)O 34a_100000039261_100011218427 [0,1,0,0,0,1|1,0,1]=4 1708 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)O 7a_100000039261_100011218427 [0,1,0,0,0,1|1,0,1]=4 1709 B17R2.5385 Cc1ccc2ccccc2c1OC[C@@H](C)O 34a_100000039261_100009817552 [0,1,0,0,0,1|1,0,1]=4 1710 B17R2.5385 Cc1ccc2ccccc2c1OC[C@@H](C)O 7a_100000039261_100009817552 [0,1,0,0,0,1|1,0,1]=4 1711 B17R2.5385 Cc1ccc2ccccc2c1OC[N+](=O)[O-] 34a_100000039261_100000761209 [0,1,0,0,0,1|1,0,1]=4 1712 B17R2.5385 Cc1ccc2ccccc2c1SCC(=O)N 62a_100000747473_100000759710 [0,1,0,0,0,1|1,0,0]=3 1713 B17R2.5385 Cc1ccc2ccccc2c1SCC(=O)N 62a_100000759710_100000747473 [0,1,0,0,0,1|1,0,0]=3 1714 B17R2.5385 Cc1ccc2ccccc2c1SCC(=O)[O-] 62a_100000759710_100020667443 [0,1,0,0,0,1|0,0,1]=3 1715 B17R2.5385 Cc1ccc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100000759710 [0,1,0,0,0,1|0,0,1]=3 1716 B17R2.5385 Cc1ccc2ccccc2c1SCC(C)O 62a_100000759710_100011218427 [0,1,0,0,0,1|1,0,1]=4 1717 B17R2.5385 Cc1ccc2ccccc2c1SCC(C)O 62a_100011218427_100000759710 [0,1,0,0,0,1|1,0,1]=4 1718 B17R2.5385 Cc1ccc2ccccc2c1SC[C@@H](C)O 62a_100000759710_100009817552 [0,1,0,0,0,1|1,0,1]=4 1719 B17R2.5385 Cc1ccc2ccccc2c1SC[C@@H](C)O 62a_100009817552_100000759710 [0,1,0,0,0,1|1,0,1]=4 1720 B17R2.5385 Cc1ccc2ccccc2c1SC[N+](=O)[O-] 62a_100000759710_100000761209 [0,1,0,0,0,1|1,0,1]=4 1721 B17R2.5385 Cc1ccc2cccnc2c1NCC(=O)N 34a_100000065890_100000187820 [0,1,0,0,0,1|2,0,0]=4 1722 B17R2.5385 Cc1ccc2cccnc2c1NCC(=O)[O-] 34a_100000065890_100020667443 [0,1,0,0,0,1|1,0,1]=4 1723 B17R2.5385 Cc1ccc2cnccc2c1SCC(=O)N 62a_100000747473_100010204589 [0,1,0,0,0,1|2,0,0]=4 1724 B17R2.5385 Cc1ccc2cnccc2c1SCC(=O)N 62a_100010204589_100000747473 [0,1,0,0,0,1|2,0,0]=4 1725 B17R2.5385 Cc1ccc2cnccc2c1SCC(=O)[O-] 62a_100010204589_100020667443 [0,1,0,0,0,1|1,0,1]=4 1726 B17R2.5385 Cc1ccc2cnccc2c1SCC(=O)[O-] 62a_100020667443_100010204589 [0,1,0,0,0,1|1,0,1]=4 1727 B17R2.5385 Cc1ccc2ncccc2c1NCC(=O)N 34a_100011933972_100000187820 [0,1,0,0,0,1|2,0,0]=4 1728 B17R2.5385 Cc1ccc2ncccc2c1NCC(=O)[O-] 34a_100011933972_100020667443 [0,1,0,0,0,1|1,0,1]=4 1729 B17R2.5385 Cc1cnc2ccccc2c1SCC(=O)N 62a_100000747473_100000092342 [0,1,0,0,0,1|2,0,0]=4 1730 B17R2.5385 Cc1cnc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100000092342 [0,1,0,0,0,1|1,0,1]=4 1731 B17R2.5385 NC(=O)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000187820 [0,1,0,0,0,1|1,0,0]=3 1732 B17R2.5385 NC(=O)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000187820 [0,1,0,0,0,1|1,0,0]=3 1733 B17R2.5385 NC(=O)CNc1c(ccc2c1cccc2)O 34a_100000007056_100000187820 [0,1,0,0,0,1|1,0,0]=3 1734 B17R2.5385 NC(=O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000187820 [0,1,0,0,0,1|1,0,0]=3 1735 B17R2.5385 NC(=O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000187820 [0,1,0,0,0,1|1,0,0]=3 1736 B17R2.5385 NC(=O)COc1c(ccc2c1cccc2)N 34a_100000007060_100000187820 [0,1,0,0,0,1|1,0,0]=3 1737 B17R2.5385 NC(=O)COc1c(ccc2c1nccc2)Br 34a_100009816563_100000187820 [0,1,0,0,0,1|2,0,0]=4 1738 B17R2.5385 NC(=O)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100000187820 [0,1,0,0,0,1|2,0,0]=4 1739 B17R2.5385 NC(=O)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100000187820 [0,1,0,0,0,1|2,0,0]=4 1740 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)Br 62a_100000747473_100010090040 [0,1,0,0,0,1|1,0,0]=3 1741 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000747473 [0,1,0,0,0,1|1,0,0]=3 1742 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000747473 [0,1,0,0,0,1|1,0,0]=3 1743 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)N 62a_100000747473_100000705303 [0,1,0,0,0,1|1,0,0]=3 1744 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)O 62a_100000747473_100000183829 [0,1,0,0,0,1|1,0,0]=3 1745 B17R2.5385 NC(=O)CSc1c(ccc2c1cccn2)N 62a_100000747473_200009995563 [0,1,0,0,0,1|2,0,0]=4 1746 B17R2.5385 NC(=O)CSc1c(ccc2c1cccn2)N 62a_200009995563_100000747473 [0,1,0,0,0,1|2,0,0]=4 1747 B17R2.5385 NC(=O)CSc1c(ccc2c1ccnc2)F 62a_100000747473_100010272212 [0,1,0,0,0,1|2,0,0]=4 1748 B17R2.5385 NC(=O)CSc1c(ccc2c1ccnc2)F 62a_100010272212_100000747473 [0,1,0,0,0,1|2,0,0]=4 1749 B17R2.5385 NC(=O)CSc1c(ccc2c1ccnc2)N 62a_100000747473_100010245214 [0,1,0,0,0,1|2,0,0]=4 1750 B17R2.5385 NC(=O)CSc1c(ccc2c1ccnc2)N 62a_100010245214_100000747473 [0,1,0,0,0,1|2,0,0]=4 1751 B17R2.5385 NC(=O)CSc1c(ccc2c1cncc2)F 62a_100000747473_200015767032 [0,1,0,0,0,1|2,0,0]=4 1752 B17R2.5385 NC(=O)CSc1c(ccc2c1cncc2)F 62a_200015767032_100000747473 [0,1,0,0,0,1|2,0,0]=4 1753 B17R2.5385 NC(=O)CSc1c(ccc2c1cncc2)O 62a_100000747473_200010115057 [0,1,0,0,0,1|2,0,0]=4 1754 B17R2.5385 NC(=O)CSc1c(ccc2c1nccc2)O 62a_100000747473_100010173343 [0,1,0,0,0,1|2,0,0]=4 1755 B17R2.5385 NC(=O)CSc1c(cnc2c1cccc2)Br 62a_100000747473_200010179490 [0,1,0,0,0,1|2,0,0]=4 1756 B17R2.5385 NC(=O)CSc1c(cnc2c1cccc2)Br 62a_200010179490_100000747473 [0,1,0,0,0,1|2,0,0]=4 1757 B17R2.5385 NC(=O)CSc1c(cnc2c1cccc2)N 62a_100000747473_100012243074 [0,1,0,0,0,1|2,0,0]=4 1758 B17R2.5385 NC(=O)CSc1c(cnc2c1cccc2)N 62a_100009995561_100000747473 [0,1,0,0,0,1|2,0,0]=4 1759 B17R2.5385 NC(=O)CSc1c(ncc2c1cccc2)N 62a_100000747473_100009994184 [0,1,0,0,0,1|2,0,0]=4 1760 B17R2.5385 NC(=O)CSc1c(ncc2c1cccc2)N 62a_100009994184_100000747473 [0,1,0,0,0,1|2,0,0]=4 1761 B17R2.5385 Nc1ccc2ccccc2c1OCC(=O)[O-] 34a_100000007060_100020667443 [0,1,0,0,0,1|0,0,1]=3 1762 B17R2.5385 Nc1ccc2ccccc2c1OC[N+](=O)[O-] 34a_100000007060_100000761209 [0,1,0,0,0,1|1,0,1]=4 1763 B17R2.5385 Nc1ccc2ccccc2c1SCC(=O)[O-] 62a_100000705303_100020667443 [0,1,0,0,0,1|0,0,1]=3 1764 B17R2.5385 Nc1ccc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100000705303 [0,1,0,0,0,1|0,0,1]=3 1765 B17R2.5385 Nc1ccc2ccccc2c1SC[N+](=O)[O-] 62a_100000705303_100000761209 [0,1,0,0,0,1|1,0,1]=4 1766 B17R2.5385 Nc1ccc2cnccc2c1SCC(=O)[O-] 62a_100010245214_100020667443 [0,1,0,0,0,1|1,0,1]=4 1767 B17R2.5385 Nc1ccc2cnccc2c1SCC(=O)[O-] 62a_100020667443_100010245214 [0,1,0,0,0,1|1,0,1]=4 1768 B17R2.5385 Nc1ccc2ncccc2c1SCC(=O)[O-] 62a_100020667443_200009995563 [0,1,0,0,0,1|1,0,1]=4 1769 B17R2.5385 Nc1ccc2ncccc2c1SCC(=O)[O-] 62a_200009995563_100020667443 [0,1,0,0,0,1|1,0,1]=4 1770 B17R2.5385 Nc1cnc2ccccc2c1SCC(=O)[O-] 62a_100009995561_100020667443 [0,1,0,0,0,1|1,0,1]=4 1771 B17R2.5385 Nc1cnc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100012243074 [0,1,0,0,0,1|1,0,1]=4 1772 B17R2.5385 Nc1ncc2ccccc2c1SCC(=O)[O-] 62a_100009994184_100020667443 [0,1,0,0,0,1|1,0,1]=4 1773 B17R2.5385 Nc1ncc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100009994184 [0,1,0,0,0,1|1,0,1]=4 1774 B17R2.5385 O=C([O-])CNc1c(ccc2c1cccc2)Br 34a_100009817101_100020667443 [0,1,0,0,0,1|0,0,1]=3 1775 B17R2.5385 O=C([O-])CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100020667443 [0,1,0,0,0,1|0,0,1]=3 1776 B17R2.5385 O=C([O-])CNc1c(ccc2c1cccc2)O 34a_100000007056_100020667443 [0,1,0,0,0,1|0,0,1]=3 1777 B17R2.5385 O=C([O-])COc1c(ccc2c1cccc2)Br 34a_100009996032_100020667443 [0,1,0,0,0,1|0,0,1]=3 1778 B17R2.5385 O=C([O-])COc1c(ccc2c1nccc2)Br 34a_100009816563_100020667443 [0,1,0,0,0,1|1,0,1]=4 1779 B17R2.5385 O=C([O-])COc1c(ccc2c1nccc2)Cl 34a_100000700379_100020667443 [0,1,0,0,0,1|1,0,1]=4 1780 B17R2.5385 O=C([O-])CSc1c(ccc2c1cccc2)Br 62a_100010090040_100020667443 [0,1,0,0,0,1|0,0,1]=3 1781 B17R2.5385 O=C([O-])CSc1c(ccc2c1cccc2)Br 62a_100020667443_100010090040 [0,1,0,0,0,1|0,0,1]=3 1782 B17R2.5385 O=C([O-])CSc1c(ccc2c1cccc2)O 62a_100020667443_100000183829 [0,1,0,0,0,1|0,0,1]=3 1783 B17R2.5385 O=C([O-])CSc1c(ccc2c1ccnc2)F 62a_100010272212_100020667443 [0,1,0,0,0,1|1,0,1]=4 1784 B17R2.5385 O=C([O-])CSc1c(ccc2c1ccnc2)F 62a_100020667443_100010272212 [0,1,0,0,0,1|1,0,1]=4 1785 B17R2.5385 O=C([O-])CSc1c(ccc2c1cncc2)F 62a_100020667443_200015767032 [0,1,0,0,0,1|1,0,1]=4 1786 B17R2.5385 O=C([O-])CSc1c(ccc2c1cncc2)F 62a_200015767032_100020667443 [0,1,0,0,0,1|1,0,1]=4 1787 B17R2.5385 O=C([O-])CSc1c(ccc2c1cncc2)O 62a_100020667443_200010115057 [0,1,0,0,0,1|1,0,1]=4 1788 B17R2.5385 O=C([O-])CSc1c(ccc2c1nccc2)O 62a_100020667443_100010173343 [0,1,0,0,0,1|1,0,1]=4 1789 B17R2.5385 O=C([O-])CSc1c(cnc2c1cccc2)Br 62a_100020667443_200010179490 [0,1,0,0,0,1|1,0,1]=4 1790 B17R2.5385 O=C([O-])CSc1c(cnc2c1cccc2)Br 62a_200010179490_100020667443 [0,1,0,0,0,1|1,0,1]=4 1791 B17R2.5385 O=[N+]([O-])CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000761209 [0,1,0,0,0,1|1,0,1]=4 1792 B17R2.5385 O=[N+]([O-])CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000761209 [0,1,0,0,0,1|1,0,1]=4 1793 B17R2.5385 O=[N+]([O-])CNc1c(ccc2c1cccc2)O 34a_100000007056_100000761209 [0,1,0,0,0,1|1,0,1]=4 1794 B17R2.5385 O=[N+]([O-])COc1c(ccc2c1cccc2)Br 34a_100009996032_100000761209 [0,1,0,0,0,1|1,0,1]=4 1795 B17R2.5385 O=[N+]([O-])CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000761209 [0,1,0,0,0,1|1,0,1]=4 1796 B17R2.19944 C=C(C)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100000748629 [0,1,0,0,0,1|2,0,0]=4 1797 B17R2.19944 C=C(C)CNc1cccc2c1cc(cc2)O 34a_100000034012_100000748629 [0,1,0,0,0,1|2,0,0]=4 1798 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000748629 [0,1,0,0,0,1|2,0,0]=4 1799 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000748629 [0,1,0,0,0,1|2,0,0]=4 1800 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)C 34a_100000040781_100000748629 [0,1,0,0,0,1|2,0,0]=4 1801 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)C 7a_100000040781_100000748629 [0,1,0,0,0,1|2,0,0]=4 1802 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000748629 [0,1,0,0,0,1|2,0,0]=4 1803 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000748629 [0,1,0,0,0,1|2,0,0]=4 1804 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)F 34a_100009881884_100000748629 [0,1,0,0,0,1|2,0,0]=4 1805 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)F 7a_100009881884_100000748629 [0,1,0,0,0,1|2,0,0]=4 1806 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)N 34a_100132313934_100000748629 [0,1,0,0,0,1|2,0,0]=4 1807 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)N 7a_100132313934_100000748629 [0,1,0,0,0,1|2,0,0]=4 1808 B17R2.19944 C=C(C)CSc1cccc2c1cc(cc2)O 62a_100000748629_100010169565 [0,1,0,0,0,1|2,0,0]=4 1809 B17R2.19944 C=C(F)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100009893438 [0,1,0,0,0,1|2,0,0]=4 1810 B17R2.19944 C=C(F)CNc1cccc2c1cc(cc2)O 34a_100000034012_100009893438 [0,1,0,0,0,1|2,0,0]=4 1811 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)Br 34a_100010089991_100009893438 [0,1,0,0,0,1|2,0,0]=4 1812 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000042424 [0,1,0,0,0,1|2,0,0]=4 1813 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)C 34a_100000040781_100009893438 [0,1,0,0,0,1|2,0,0]=4 1814 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)C 7a_100000040781_100000042424 [0,1,0,0,0,1|2,0,0]=4 1815 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100009893438 [0,1,0,0,0,1|2,0,0]=4 1816 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000042424 [0,1,0,0,0,1|2,0,0]=4 1817 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)F 34a_100009881884_100009893438 [0,1,0,0,0,1|2,0,0]=4 1818 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)F 7a_100009881884_100000042424 [0,1,0,0,0,1|2,0,0]=4 1819 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)N 34a_100132313934_100009893438 [0,1,0,0,0,1|2,0,0]=4 1820 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)N 7a_100132313934_100000042424 [0,1,0,0,0,1|2,0,0]=4 1821 B17R2.19944 C=C(F)CSc1cccc2c1cc(cc2)O 62a_100000042424_100010169565 [0,1,0,0,0,1|2,0,0]=4 1822 B17R2.19944 CC(O)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100011218427 [0,1,0,0,0,1|1,0,1]=4 1823 B17R2.19944 CC(O)CNc1cccc2c1cc(cc2)O 34a_100000034012_100011218427 [0,1,0,0,0,1|1,0,1]=4 1824 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100011218427 [0,1,0,0,0,1|1,0,1]=4 1825 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100011218427 [0,1,0,0,0,1|1,0,1]=4 1826 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100011218427 [0,1,0,0,0,1|1,0,1]=4 1827 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100011218427 [0,1,0,0,0,1|1,0,1]=4 1828 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)F 34a_100009881884_100011218427 [0,1,0,0,0,1|1,0,1]=4 1829 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)F 7a_100009881884_100011218427 [0,1,0,0,0,1|1,0,1]=4 1830 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)N 34a_100132313934_100011218427 [0,1,0,0,0,1|1,0,1]=4 1831 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)N 7a_100132313934_100011218427 [0,1,0,0,0,1|1,0,1]=4 1832 B17R2.19944 CC(O)CSc1cccc2c1cc(cc2)O 62a_100011218427_100010169565 [0,1,0,0,0,1|1,0,1]=4 1833 B17R2.19944 C[C@@H](O)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100009817552 [0,1,0,0,0,1|1,0,1]=4 1834 B17R2.19944 C[C@@H](O)CNc1cccc2c1cc(cc2)O 34a_100000034012_100009817552 [0,1,0,0,0,1|1,0,1]=4 1835 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100009817552 [0,1,0,0,0,1|1,0,1]=4 1836 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100009817552 [0,1,0,0,0,1|1,0,1]=4 1837 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100009817552 [0,1,0,0,0,1|1,0,1]=4 1838 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100009817552 [0,1,0,0,0,1|1,0,1]=4 1839 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)F 34a_100009881884_100009817552 [0,1,0,0,0,1|1,0,1]=4 1840 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)F 7a_100009881884_100009817552 [0,1,0,0,0,1|1,0,1]=4 1841 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)N 34a_100132313934_100009817552 [0,1,0,0,0,1|1,0,1]=4 1842 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)N 7a_100132313934_100009817552 [0,1,0,0,0,1|1,0,1]=4 1843 B17R2.19944 C[C@@H](O)CSc1cccc2c1cc(cc2)O 62a_100009817552_100010169565 [0,1,0,0,0,1|1,0,1]=4 1844 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(=O)N 34a_100000040781_100000187820 [0,1,0,0,0,1|1,0,0]=3 1845 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(=O)N 7a_100000040781_100000187820 [0,1,0,0,0,1|1,0,0]=3 1846 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(=O)[O-] 34a_100000040781_100020667443 [0,1,0,0,0,1|0,0,1]=3 1847 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(C)O 34a_100000040781_100011218427 [0,1,0,0,0,1|1,0,1]=4 1848 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(C)O 7a_100000040781_100011218427 [0,1,0,0,0,1|1,0,1]=4 1849 B17R2.19944 Cc1ccc2cccc(c2c1)OC[C@@H](C)O 34a_100000040781_100009817552 [0,1,0,0,0,1|1,0,1]=4 1850 B17R2.19944 Cc1ccc2cccc(c2c1)OC[C@@H](C)O 7a_100000040781_100009817552 [0,1,0,0,0,1|1,0,1]=4 1851 B17R2.19944 Cc1ccc2cccc(c2c1)OC[N+](=O)[O-] 34a_100000040781_100000761209 [0,1,0,0,0,1|1,0,1]=4 1852 B17R2.19944 Cc1ccc2cccc(c2n1)NCC(=O)N 34a_100000019871_100000187820 [0,1,0,0,0,1|2,0,0]=4 1853 B17R2.19944 Cc1ccc2cccc(c2n1)NCC(=O)[O-] 34a_100000019871_100020667443 [0,1,0,0,0,1|1,0,1]=4 1854 B17R2.19944 Cc1ccc2cccc(c2n1)OCC(=O)N 34a_100000184714_100000187820 [0,1,0,0,0,1|2,0,0]=4 1855 B17R2.19944 Cc1ccc2cccc(c2n1)OCC(=O)N 7a_100000184714_100000187820 [0,1,0,0,0,1|2,0,0]=4 1856 B17R2.19944 Cc1ccc2cccc(c2n1)OCC(=O)[O-] 34a_100000184714_100020667443 [0,1,0,0,0,1|1,0,1]=4 1857 B17R2.19944 Cc1ccc2cccc(c2n1)SCC(=O)N 62a_100000747473_100011934484 [0,1,0,0,0,1|2,0,0]=4 1858 B17R2.19944 Cc1ccc2cccc(c2n1)SCC(=O)[O-] 62a_100020667443_100011934484 [0,1,0,0,0,1|1,0,1]=4 1859 B17R2.19944 Cc1ccc2cncc(c2c1)SCC(=O)N 62a_100000747473_100009817139 [0,1,0,0,0,1|2,0,0]=4 1860 B17R2.19944 Cc1ccc2cncc(c2c1)SCC(=O)[O-] 62a_100020667443_100009817139 [0,1,0,0,0,1|1,0,1]=4 1861 B17R2.19944 Cc1ccc2nccc(c2c1)OCC(=O)N 34a_200011310529_100000187820 [0,1,0,0,0,1|2,0,0]=4 1862 B17R2.19944 Cc1ccc2nccc(c2c1)OCC(=O)[O-] 34a_200011310529_100020667443 [0,1,0,0,0,1|1,0,1]=4 1863 B17R2.19944 Cc1ccc2nccc(c2c1)SCC(=O)N 62a_100000747473_100000751279 [0,1,0,0,0,1|2,0,0]=4 1864 B17R2.19944 Cc1ccc2nccc(c2c1)SCC(=O)[O-] 62a_100020667443_100000751279 [0,1,0,0,0,1|1,0,1]=4 1865 B17R2.19944 NC(=O)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100000187820 [0,1,0,0,0,1|1,0,0]=3 1866 B17R2.19944 NC(=O)CNc1cccc2c1cc(cc2)O 34a_100000034012_100000187820 [0,1,0,0,0,1|1,0,0]=3 1867 B17R2.19944 NC(=O)CNc1cccc2c1cc(cn2)Br 34a_100010264086_100000187820 [0,1,0,0,0,1|2,0,0]=4 1868 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000187820 [0,1,0,0,0,1|1,0,0]=3 1869 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000187820 [0,1,0,0,0,1|1,0,0]=3 1870 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000187820 [0,1,0,0,0,1|1,0,0]=3 1871 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000187820 [0,1,0,0,0,1|1,0,0]=3 1872 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)F 34a_100009881884_100000187820 [0,1,0,0,0,1|1,0,0]=3 1873 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)F 7a_100009881884_100000187820 [0,1,0,0,0,1|1,0,0]=3 1874 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)N 34a_100132313934_100000187820 [0,1,0,0,0,1|1,0,0]=3 1875 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)N 7a_100132313934_100000187820 [0,1,0,0,0,1|1,0,0]=3 1876 B17R2.19944 NC(=O)COc1cccc2c1cc(cn2)Br 34a_200010153752_100000187820 [0,1,0,0,0,1|2,0,0]=4 1877 B17R2.19944 NC(=O)COc1cccc2c1cc(cn2)Br 7a_200010153752_100000187820 [0,1,0,0,0,1|2,0,0]=4 1878 B17R2.19944 NC(=O)COc1cccc2c1cc(cn2)N 34a_100009853962_100000187820 [0,1,0,0,0,1|2,0,0]=4 1879 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)Br 34a_100010153751_100000187820 [0,1,0,0,0,1|2,0,0]=4 1880 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)Br 7a_100010153751_100000187820 [0,1,0,0,0,1|2,0,0]=4 1881 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)Cl 34a_100000013812_100000187820 [0,1,0,0,0,1|2,0,0]=4 1882 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100000187820 [0,1,0,0,0,1|2,0,0]=4 1883 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)N 34a_100000032106_100000187820 [0,1,0,0,0,1|2,0,0]=4 1884 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)N 7a_100000032106_100000187820 [0,1,0,0,0,1|2,0,0]=4 1885 B17R2.19944 NC(=O)COc1ccnc2c1cc(cc2)F 34a_100000004104_100000187820 [0,1,0,0,0,1|2,0,0]=4 1886 B17R2.19944 NC(=O)COc1cncc2c1cc(cc2)Br 34a_100010136424_100000187820 [0,1,0,0,0,1|2,0,0]=4 1887 B17R2.19944 NC(=O)COc1cncc2c1cc(cc2)Br 7a_100010136424_100000187820 [0,1,0,0,0,1|2,0,0]=4 1888 B17R2.19944 NC(=O)COc1nccc2c1cc(cc2)Br 34a_100000010956_100000187820 [0,1,0,0,0,1|2,0,0]=4 1889 B17R2.19944 NC(=O)COc1nccc2c1cc(cc2)Cl 34a_100000005406_100000187820 [0,1,0,0,0,1|2,0,0]=4 1890 B17R2.19944 NC(=O)CSc1cccc2c1[nH]c(=O)cc2 62a_100000747473_100000688906 [0,1,0,0,0,1|2,0,0]=4 1891 B17R2.19944 NC(=O)CSc1cccc2c1cc(cc2)O 62a_100000747473_100010169565 [0,1,0,0,0,1|1,0,0]=3 1892 B17R2.19944 NC(=O)CSc1cccc2c1nc(cc2)Cl 62a_100000747473_100012034269 [0,1,0,0,0,1|2,0,0]=4 1893 B17R2.19944 NC(=O)CSc1cccc2c1nc(cc2)N 62a_100000687151_100000747473 [0,1,0,0,0,1|2,0,0]=4 1894 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)Br 62a_100000747473_100010189052 [0,1,0,0,0,1|2,0,0]=4 1895 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)Br 62a_100010189052_100000747473 [0,1,0,0,0,1|2,0,0]=4 1896 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)F 62a_100000747473_100011217270 [0,1,0,0,0,1|2,0,0]=4 1897 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)F 62a_100011217270_100000747473 [0,1,0,0,0,1|2,0,0]=4 1898 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)N 62a_100000747473_100009879071 [0,1,0,0,0,1|2,0,0]=4 1899 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)N 62a_100010074812_100000747473 [0,1,0,0,0,1|2,0,0]=4 1900 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)O 62a_100000747473_100000075933 [0,1,0,0,0,1|2,0,0]=4 1901 B17R2.19944 NC(=O)CSc1nccc2c1cc(cc2)F 62a_100000747473_100010202866 [0,1,0,0,0,1|2,0,0]=4 1902 B17R2.19944 NC(=O)CSc1nccc2c1cc(cc2)F 62a_100010202866_100000747473 [0,1,0,0,0,1|2,0,0]=4 1903 B17R2.19944 NC(=O)CSc1nccc2c1cc(cc2)O 62a_100000747473_200009844553 [0,1,0,0,0,1|2,0,0]=4 1904 B17R2.19944 Nc1ccc2cccc(c2c1)OCC(=O)[O-] 34a_100132313934_100020667443 [0,1,0,0,0,1|0,0,1]=3 1905 B17R2.19944 Nc1ccc2cccc(c2c1)OC[N+](=O)[O-] 34a_100132313934_100000761209 [0,1,0,0,0,1|1,0,1]=4 1906 B17R2.19944 Nc1ccc2cccc(c2n1)OCC(=O)[O-] 34a_100000032106_100020667443 [0,1,0,0,0,1|1,0,1]=4 1907 B17R2.19944 Nc1ccc2cccc(c2n1)SCC(=O)[O-] 62a_100000687151_100020667443 [0,1,0,0,0,1|1,0,1]=4 1908 B17R2.19944 Nc1ccc2nccc(c2c1)SCC(=O)[O-] 62a_100010074812_100020667443 [0,1,0,0,0,1|1,0,1]=4 1909 B17R2.19944 Nc1ccc2nccc(c2c1)SCC(=O)[O-] 62a_100020667443_100009879071 [0,1,0,0,0,1|1,0,1]=4 1910 B17R2.19944 Nc1cnc2cccc(c2c1)OCC(=O)[O-] 34a_100009853962_100020667443 [0,1,0,0,0,1|1,0,1]=4 1911 B17R2.19944 O=C([O-])CNc1cccc2c1cc(cc2)Br 34a_100010090012_100020667443 [0,1,0,0,0,1|0,0,1]=3 1912 B17R2.19944 O=C([O-])CNc1cccc2c1cc(cc2)O 34a_100000034012_100020667443 [0,1,0,0,0,1|0,0,1]=3 1913 B17R2.19944 O=C([O-])CNc1cccc2c1cc(cn2)Br 34a_100010264086_100020667443 [0,1,0,0,0,1|1,0,1]=4 1914 B17R2.19944 O=C([O-])COc1cccc2c1cc(cc2)Br 34a_100010089991_100020667443 [0,1,0,0,0,1|0,0,1]=3 1915 B17R2.19944 O=C([O-])COc1cccc2c1cc(cc2)Cl 34a_100009840344_100020667443 [0,1,0,0,0,1|0,0,1]=3 1916 B17R2.19944 O=C([O-])COc1cccc2c1cc(cc2)F 34a_100009881884_100020667443 [0,1,0,0,0,1|0,0,1]=3 1917 B17R2.19944 O=C([O-])COc1cccc2c1cc(cn2)Br 34a_200010153752_100020667443 [0,1,0,0,0,1|1,0,1]=4 1918 B17R2.19944 O=C([O-])COc1cccc2c1nc(cc2)Br 34a_100010153751_100020667443 [0,1,0,0,0,1|1,0,1]=4 1919 B17R2.19944 O=C([O-])COc1cccc2c1nc(cc2)Cl 34a_100000013812_100020667443 [0,1,0,0,0,1|1,0,1]=4 1920 B17R2.19944 O=C([O-])COc1ccnc2c1cc(cc2)F 34a_100000004104_100020667443 [0,1,0,0,0,1|1,0,1]=4 1921 B17R2.19944 O=C([O-])COc1cncc2c1cc(cc2)Br 34a_100010136424_100020667443 [0,1,0,0,0,1|1,0,1]=4 1922 B17R2.19944 O=C([O-])COc1nccc2c1cc(cc2)Br 34a_100000010956_100020667443 [0,1,0,0,0,1|1,0,1]=4 1923 B17R2.19944 O=C([O-])COc1nccc2c1cc(cc2)Cl 34a_100000005406_100020667443 [0,1,0,0,0,1|1,0,1]=4 1924 B17R2.19944 O=C([O-])CSc1cccc2c1[nH]c(=O)cc2 62a_100020667443_100000688906 [0,1,0,0,0,1|1,0,1]=4 1925 B17R2.19944 O=C([O-])CSc1cccc2c1cc(cc2)O 62a_100020667443_100010169565 [0,1,0,0,0,1|0,0,1]=3 1926 B17R2.19944 O=C([O-])CSc1cccc2c1nc(cc2)Cl 62a_100020667443_100012034269 [0,1,0,0,0,1|1,0,1]=4 1927 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)Br 62a_100010189052_100020667443 [0,1,0,0,0,1|1,0,1]=4 1928 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)Br 62a_100020667443_100010189052 [0,1,0,0,0,1|1,0,1]=4 1929 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)F 62a_100011217270_100020667443 [0,1,0,0,0,1|1,0,1]=4 1930 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)F 62a_100020667443_100011217270 [0,1,0,0,0,1|1,0,1]=4 1931 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)O 62a_100020667443_100000075933 [0,1,0,0,0,1|1,0,1]=4 1932 B17R2.19944 O=C([O-])CSc1nccc2c1cc(cc2)F 62a_100010202866_100020667443 [0,1,0,0,0,1|1,0,1]=4 1933 B17R2.19944 O=C([O-])CSc1nccc2c1cc(cc2)F 62a_100020667443_100010202866 [0,1,0,0,0,1|1,0,1]=4 1934 B17R2.19944 O=C([O-])CSc1nccc2c1cc(cc2)O 62a_100020667443_200009844553 [0,1,0,0,0,1|1,0,1]=4 1935 B17R2.19944 O=[N+]([O-])CNc1cccc2c1cc(cc2)Br 34a_100010090012_100000761209 [0,1,0,0,0,1|1,0,1]=4 1936 B17R2.19944 O=[N+]([O-])CNc1cccc2c1cc(cc2)O 34a_100000034012_100000761209 [0,1,0,0,0,1|1,0,1]=4 1937 B17R2.19944 O=[N+]([O-])COc1cccc2c1cc(cc2)Br 34a_100010089991_100000761209 [0,1,0,0,0,1|1,0,1]=4 1938 B17R2.19944 O=[N+]([O-])COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000761209 [0,1,0,0,0,1|1,0,1]=4 1939 B17R2.19944 O=[N+]([O-])COc1cccc2c1cc(cc2)F 34a_100009881884_100000761209 [0,1,0,0,0,1|1,0,1]=4 1940 B17R2.37520 C=C(C)CNc1cccc2c1cccc2Br 34a_100009816864_100000748629 [0,1,0,0,0,1|2,0,0]=4 1941 B17R2.37520 C=C(C)CNc1cccc2c1cccc2Cl 34a_100000077128_100000748629 [0,1,0,0,0,1|2,0,0]=4 1942 B17R2.37520 C=C(C)CNc1cccc2c1cccc2O 34a_100000210686_100000748629 [0,1,0,0,0,1|2,0,0]=4 1943 B17R2.37520 C=C(C)COc1cccc2c1cccc2Br 34a_100010003857_100000748629 [0,1,0,0,0,1|2,0,0]=4 1944 B17R2.37520 C=C(C)COc1cccc2c1cccc2Br 7a_100010003857_100000748629 [0,1,0,0,0,1|2,0,0]=4 1945 B17R2.37520 C=C(C)COc1cccc2c1cccc2N 34a_100000210686_100000748629 [0,1,0,0,0,1|2,0,0]=4 1946 B17R2.37520 C=C(C)CSc1cccc2c1cccc2F 62a_100000748629_100009817034 [0,1,0,0,0,1|2,0,0]=4 1947 B17R2.37520 C=C(C)CSc1cccc2c1cccc2F 62a_100009817034_100000211660 [0,1,0,0,0,1|2,0,0]=4 1948 B17R2.37520 C=C(C)CSc1cccc2c1cccc2N 62a_100009816864_100000211660 [0,1,0,0,0,1|2,0,0]=4 1949 B17R2.37520 C=C(C)CSc1cccc2c1cccc2O 62a_100000748629_100010003857 [0,1,0,0,0,1|2,0,0]=4 1950 B17R2.37520 C=C(F)CNc1cccc2c1cccc2Br 34a_100009816864_100009893438 [0,1,0,0,0,1|2,0,0]=4 1951 B17R2.37520 C=C(F)CNc1cccc2c1cccc2Cl 34a_100000077128_100009893438 [0,1,0,0,0,1|2,0,0]=4 1952 B17R2.37520 C=C(F)CNc1cccc2c1cccc2O 34a_100000210686_100009893438 [0,1,0,0,0,1|2,0,0]=4 1953 B17R2.37520 C=C(F)COc1cccc2c1cccc2Br 34a_100010003857_100009893438 [0,1,0,0,0,1|2,0,0]=4 1954 B17R2.37520 C=C(F)COc1cccc2c1cccc2Br 7a_100010003857_100000042424 [0,1,0,0,0,1|2,0,0]=4 1955 B17R2.37520 C=C(F)COc1cccc2c1cccc2N 34a_100000210686_100009893438 [0,1,0,0,0,1|2,0,0]=4 1956 B17R2.37520 C=C(F)CSc1cccc2c1cccc2F 62a_100000042424_100009817034 [0,1,0,0,0,1|2,0,0]=4 1957 B17R2.37520 C=C(F)CSc1cccc2c1cccc2F 62a_100009817034_100000042424 [0,1,0,0,0,1|2,0,0]=4 1958 B17R2.37520 C=C(F)CSc1cccc2c1cccc2N 62a_100009816864_100000042424 [0,1,0,0,0,1|2,0,0]=4 1959 B17R2.37520 C=C(F)CSc1cccc2c1cccc2O 62a_100000042424_100010003857 [0,1,0,0,0,1|2,0,0]=4 1960 B17R2.37520 CC(O)CNc1cccc2c1cccc2Br 34a_100009816864_100011218427 [0,1,0,0,0,1|1,0,1]=4 1961 B17R2.37520 CC(O)CNc1cccc2c1cccc2Cl 34a_100000077128_100011218427 [0,1,0,0,0,1|1,0,1]=4 1962 B17R2.37520 CC(O)CNc1cccc2c1cccc2O 34a_100000210686_100011218427 [0,1,0,0,0,1|1,0,1]=4 1963 B17R2.37520 CC(O)COc1cccc2c1cccc2Br 34a_100010003857_100011218427 [0,1,0,0,0,1|1,0,1]=4 1964 B17R2.37520 CC(O)COc1cccc2c1cccc2Br 7a_100010003857_100011218427 [0,1,0,0,0,1|1,0,1]=4 1965 B17R2.37520 CC(O)COc1cccc2c1cccc2N 34a_100000210686_100011218427 [0,1,0,0,0,1|1,0,1]=4 1966 B17R2.37520 CC(O)CSc1cccc2c1cccc2F 62a_100009817034_100011218427 [0,1,0,0,0,1|1,0,1]=4 1967 B17R2.37520 CC(O)CSc1cccc2c1cccc2F 62a_100011218427_100009817034 [0,1,0,0,0,1|1,0,1]=4 1968 B17R2.37520 CC(O)CSc1cccc2c1cccc2N 62a_100009816864_100011218427 [0,1,0,0,0,1|1,0,1]=4 1969 B17R2.37520 CC(O)CSc1cccc2c1cccc2O 62a_100011218427_100010003857 [0,1,0,0,0,1|1,0,1]=4 1970 B17R2.37520 C[C@@H](O)CNc1cccc2c1cccc2Br 34a_100009816864_100009817552 [0,1,0,0,0,1|1,0,1]=4 1971 B17R2.37520 C[C@@H](O)CNc1cccc2c1cccc2Cl 34a_100000077128_100009817552 [0,1,0,0,0,1|1,0,1]=4 1972 B17R2.37520 C[C@@H](O)CNc1cccc2c1cccc2O 34a_100000210686_100009817552 [0,1,0,0,0,1|1,0,1]=4 1973 B17R2.37520 C[C@@H](O)COc1cccc2c1cccc2Br 34a_100010003857_100009817552 [0,1,0,0,0,1|1,0,1]=4 1974 B17R2.37520 C[C@@H](O)COc1cccc2c1cccc2Br 7a_100010003857_100009817552 [0,1,0,0,0,1|1,0,1]=4 1975 B17R2.37520 C[C@@H](O)COc1cccc2c1cccc2N 34a_100000210686_100009817552 [0,1,0,0,0,1|1,0,1]=4 1976 B17R2.37520 C[C@@H](O)CSc1cccc2c1cccc2F 62a_100009817034_100009817552 [0,1,0,0,0,1|1,0,1]=4 1977 B17R2.37520 C[C@@H](O)CSc1cccc2c1cccc2F 62a_100009817552_100009817034 [0,1,0,0,0,1|1,0,1]=4 1978 B17R2.37520 C[C@@H](O)CSc1cccc2c1cccc2N 62a_100009816864_100009817552 [0,1,0,0,0,1|1,0,1]=4 1979 B17R2.37520 C[C@@H](O)CSc1cccc2c1cccc2O 62a_100009817552_100010003857 [0,1,0,0,0,1|1,0,1]=4 1980 B17R2.37520 C[n+]1cccc2c1cccc2NCC(=O)N 34a_200021579679_100000187820 [0,1,0,0,0,1|2,0,0]=4 1981 B17R2.37520 C[n+]1cccc2c1cccc2NCC(=O)[O-] 34a_200021579679_100020667443 [0,1,0,0,0,1|1,0,1]=4 1982 B17R2.37520 Cc1cccc2c1ccnc2SCC(=O)N 62a_100000747473_100012002547 [0,1,0,0,0,1|2,0,0]=4 1983 B17R2.37520 Cc1cccc2c1ccnc2SCC(=O)[O-] 62a_100020667443_100012002547 [0,1,0,0,0,1|1,0,1]=4 1984 B17R2.37520 Cc1cccc2c1nccc2SCC(=O)N 62a_100000747473_100000751276 [0,1,0,0,0,1|2,0,0]=4 1985 B17R2.37520 Cc1cccc2c1nccc2SCC(=O)[O-] 62a_100020667443_100000751276 [0,1,0,0,0,1|1,0,1]=4 1986 B17R2.37520 Cc1ccnc2c1cccc2NCC(=O)N 34a_100011934384_100000187820 [0,1,0,0,0,1|2,0,0]=4 1987 B17R2.37520 Cc1ccnc2c1cccc2NCC(=O)[O-] 34a_100011934384_100020667443 [0,1,0,0,0,1|1,0,1]=4 1988 B17R2.37520 Cc1ccnc2c1cccc2OCC(=O)N 7a_100000702989_100000187820 [0,1,0,0,0,1|2,0,0]=4 1989 B17R2.37520 Cc1ccnc2c1cccc2SCC(=O)N 62a_100000747473_100010254272 [0,1,0,0,0,1|2,0,0]=4 1990 B17R2.37520 Cc1ccnc2c1cccc2SCC(=O)[O-] 62a_100020667443_100010254272 [0,1,0,0,0,1|1,0,1]=4 1991 B17R2.37520 Cc1nccc2c1cccc2SCC(=O)N 62a_100000747473_100010137443 [0,1,0,0,0,1|2,0,0]=4 1992 B17R2.37520 Cc1nccc2c1cccc2SCC(=O)N 62a_100010137443_100000747473 [0,1,0,0,0,1|2,0,0]=4 1993 B17R2.37520 Cc1nccc2c1cccc2SCC(=O)[O-] 62a_100010137443_100020667443 [0,1,0,0,0,1|1,0,1]=4 1994 B17R2.37520 Cc1nccc2c1cccc2SCC(=O)[O-] 62a_100020667443_100010137443 [0,1,0,0,0,1|1,0,1]=4 1995 B17R2.37520 NC(=O)CNc1cccc2c1cccc2Br 34a_100009816864_100000187820 [0,1,0,0,0,1|1,0,0]=3 1996 B17R2.37520 NC(=O)CNc1cccc2c1cccc2Cl 34a_100000077128_100000187820 [0,1,0,0,0,1|1,0,0]=3 1997 B17R2.37520 NC(=O)CNc1cccc2c1cccc2O 34a_100000210686_100000187820 [0,1,0,0,0,1|1,0,0]=3 1998 B17R2.37520 NC(=O)CNc1cccc2c1ccnc2Cl 34a_100000070072_100000187820 [0,1,0,0,0,1|2,0,0]=4 1999 B17R2.37520 NC(=O)CNc1cccc2c1nccc2Cl 34a_100009892510_100000187820 [0,1,0,0,0,1|2,0,0]=4 2000 B17R2.37520 NC(=O)COc1cccc2c1cccc2Br 34a_100010003857_100000187820 [0,1,0,0,0,1|1,0,0]=3 2001 B17R2.37520 NC(=O)COc1cccc2c1cccc2Br 7a_100010003857_100000187820 [0,1,0,0,0,1|1,0,0]=3 2002 B17R2.37520 NC(=O)COc1cccc2c1cccc2N 34a_100000210686_100000187820 [0,1,0,0,0,1|1,0,0]=3 2003 B17R2.37520 NC(=O)COc1cccc2c1nccc2Br 34a_100000703299_100000187820 [0,1,0,0,0,1|2,0,0]=4 2004 B17R2.37520 NC(=O)COc1cccc2c1nccc2Br 7a_100000703299_100000187820 [0,1,0,0,0,1|2,0,0]=4 2005 B17R2.37520 NC(=O)COc1ccnc2c1cccc2F 34a_100000709910_100000187820 [0,1,0,0,0,1|2,0,0]=4 2006 B17R2.37520 NC(=O)CSc1cccc2c1cc[nH]c2=O 62a_100000747473_100000703947 [0,1,0,0,0,1|2,0,0]=4 2007 B17R2.37520 NC(=O)CSc1cccc2c1cccc2F 62a_100000747473_100009817034 [0,1,0,0,0,1|1,0,0]=3 2008 B17R2.37520 NC(=O)CSc1cccc2c1cccc2F 62a_100009817034_100000747473 [0,1,0,0,0,1|1,0,0]=3 2009 B17R2.37520 NC(=O)CSc1cccc2c1cccc2N 62a_100009816864_100000747473 [0,1,0,0,0,1|1,0,0]=3 2010 B17R2.37520 NC(=O)CSc1cccc2c1cccc2O 62a_100000747473_100010003857 [0,1,0,0,0,1|1,0,0]=3 2011 B17R2.37520 NC(=O)CSc1cccc2c1ccnc2Cl 62a_100000747473_100010080171 [0,1,0,0,0,1|2,0,0]=4 2012 B17R2.37520 NC(=O)CSc1cccc2c1ccnc2N 62a_103549770558_100000747473 [0,1,0,0,0,1|2,0,0]=4 2013 B17R2.37520 NC(=O)CSc1cccc2c1nccc2N 62a_100000747473_100011620713 [0,1,0,0,0,1|2,0,0]=4 2014 B17R2.37520 NC(=O)CSc1cccc2c1nccc2N 62a_100011620713_100000747473 [0,1,0,0,0,1|2,0,0]=4 2015 B17R2.37520 NC(=O)CSc1ccnc2c1cccc2F 62a_100000747473_100011934723 [0,1,0,0,0,1|2,0,0]=4 2016 B17R2.37520 NC(=O)CSc1ccnc2c1cccc2F 62a_100011934723_100000747473 [0,1,0,0,0,1|2,0,0]=4 2017 B17R2.37520 NC(=O)CSc1ccnc2c1cccc2N 62a_100000747473_100009892510 [0,1,0,0,0,1|2,0,0]=4 2018 B17R2.37520 NC(=O)CSc1ccnc2c1cccc2O 62a_100000747473_100000703299 [0,1,0,0,0,1|2,0,0]=4 2019 B17R2.37520 NC(=O)CSc1cncc2c1cccc2F 62a_100000747473_100010740057 [0,1,0,0,0,1|2,0,0]=4 2020 B17R2.37520 NC(=O)CSc1cncc2c1cccc2F 62a_100010740057_100000747473 [0,1,0,0,0,1|2,0,0]=4 2021 B17R2.37520 NC(=O)CSc1nccc2c1cccc2F 62a_100000747473_100012180906 [0,1,0,0,0,1|2,0,0]=4 2022 B17R2.37520 NC(=O)CSc1nccc2c1cccc2N 62a_100000747473_100000070072 [0,1,0,0,0,1|2,0,0]=4 2023 B17R2.37520 Nc1cccc2c1cccc2OCC(=O)[O-] 34a_100000210686_100020667443 [0,1,0,0,0,1|0,0,1]=3 2024 B17R2.37520 Nc1cccc2c1cccc2OC[N+](=O)[O-] 34a_100000210686_100000761209 [0,1,0,0,0,1|1,0,1]=4 2025 B17R2.37520 Nc1cccc2c1cccc2SCC(=O)[O-] 62a_100009816864_100020667443 [0,1,0,0,0,1|0,0,1]=3 2026 B17R2.37520 Nc1cccc2c1cccc2SC[N+](=O)[O-] 62a_100009816864_100000761209 [0,1,0,0,0,1|1,0,1]=4 2027 B17R2.37520 Nc1cccc2c1ccnc2SCC(=O)[O-] 62a_100020667443_100000070072 [0,1,0,0,0,1|1,0,1]=4 2028 B17R2.37520 Nc1cccc2c1nccc2SCC(=O)[O-] 62a_100020667443_100009892510 [0,1,0,0,0,1|1,0,1]=4 2029 B17R2.37520 Nc1ccnc2c1cccc2SCC(=O)[O-] 62a_100011620713_100020667443 [0,1,0,0,0,1|1,0,1]=4 2030 B17R2.37520 Nc1ccnc2c1cccc2SCC(=O)[O-] 62a_100020667443_100011620713 [0,1,0,0,0,1|1,0,1]=4 2031 B17R2.37520 Nc1nccc2c1cccc2SCC(=O)[O-] 62a_103549770558_100020667443 [0,1,0,0,0,1|1,0,1]=4 2032 B17R2.37520 O=C([O-])CNc1cccc2c1cccc2Br 34a_100009816864_100020667443 [0,1,0,0,0,1|0,0,1]=3 2033 B17R2.37520 O=C([O-])CNc1cccc2c1cccc2Cl 34a_100000077128_100020667443 [0,1,0,0,0,1|0,0,1]=3 2034 B17R2.37520 O=C([O-])CNc1cccc2c1cccc2O 34a_100000210686_100020667443 [0,1,0,0,0,1|0,0,1]=3 2035 B17R2.37520 O=C([O-])CNc1cccc2c1ccnc2Cl 34a_100000070072_100020667443 [0,1,0,0,0,1|1,0,1]=4 2036 B17R2.37520 O=C([O-])CNc1cccc2c1nccc2Cl 34a_100009892510_100020667443 [0,1,0,0,0,1|1,0,1]=4 2037 B17R2.37520 O=C([O-])COc1cccc2c1cccc2Br 34a_100010003857_100020667443 [0,1,0,0,0,1|0,0,1]=3 2038 B17R2.37520 O=C([O-])COc1cccc2c1nccc2Br 34a_100000703299_100020667443 [0,1,0,0,0,1|1,0,1]=4 2039 B17R2.37520 O=C([O-])COc1ccnc2c1cccc2F 34a_100000709910_100020667443 [0,1,0,0,0,1|1,0,1]=4 2040 B17R2.37520 O=C([O-])CSc1cccc2c1cc[nH]c2=O 62a_100020667443_100000703947 [0,1,0,0,0,1|1,0,1]=4 2041 B17R2.37520 O=C([O-])CSc1cccc2c1cccc2F 62a_100009817034_100020667443 [0,1,0,0,0,1|0,0,1]=3 2042 B17R2.37520 O=C([O-])CSc1cccc2c1cccc2F 62a_100020667443_100009817034 [0,1,0,0,0,1|0,0,1]=3 2043 B17R2.37520 O=C([O-])CSc1cccc2c1cccc2O 62a_100020667443_100010003857 [0,1,0,0,0,1|0,0,1]=3 2044 B17R2.37520 O=C([O-])CSc1cccc2c1ccnc2Cl 62a_100020667443_100010080171 [0,1,0,0,0,1|1,0,1]=4 2045 B17R2.37520 O=C([O-])CSc1ccnc2c1cccc2F 62a_100011934723_100020667443 [0,1,0,0,0,1|1,0,1]=4 2046 B17R2.37520 O=C([O-])CSc1ccnc2c1cccc2F 62a_100020667443_100011934723 [0,1,0,0,0,1|1,0,1]=4 2047 B17R2.37520 O=C([O-])CSc1ccnc2c1cccc2O 62a_100020667443_100000703299 [0,1,0,0,0,1|1,0,1]=4 2048 B17R2.37520 O=C([O-])CSc1cncc2c1cccc2F 62a_100010740057_100020667443 [0,1,0,0,0,1|1,0,1]=4 2049 B17R2.37520 O=C([O-])CSc1cncc2c1cccc2F 62a_100020667443_100010740057 [0,1,0,0,0,1|1,0,1]=4 2050 B17R2.37520 O=C([O-])CSc1nccc2c1cccc2F 62a_100020667443_100012180906 [0,1,0,0,0,1|1,0,1]=4 2051 B17R2.37520 O=[N+]([O-])CNc1cccc2c1cccc2Br 34a_100009816864_100000761209 [0,1,0,0,0,1|1,0,1]=4 2052 B17R2.37520 O=[N+]([O-])CNc1cccc2c1cccc2Cl 34a_100000077128_100000761209 [0,1,0,0,0,1|1,0,1]=4 2053 B17R2.37520 O=[N+]([O-])CNc1cccc2c1cccc2O 34a_100000210686_100000761209 [0,1,0,0,0,1|1,0,1]=4 2054 B17R2.37520 O=[N+]([O-])COc1cccc2c1cccc2Br 34a_100010003857_100000761209 [0,1,0,0,0,1|1,0,1]=4 2055 B17R2.37520 O=[N+]([O-])CSc1cccc2c1cccc2F 62a_100009817034_100000761209 [0,1,0,0,0,1|1,0,1]=4 2056 B17R2.39629 C=C(C)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100000748629 [0,1,0,0,0,1|2,0,0]=4 2057 B17R2.39629 C=C(C)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000748629 [0,1,0,0,0,1|2,0,0]=4 2058 B17R2.39629 C=C(C)CNc1ccc(c2c1cccc2)F 34a_100011988692_100000748629 [0,1,0,0,0,1|2,0,0]=4 2059 B17R2.39629 C=C(C)CNc1ccc(c2c1cccc2)O 34a_100000705857_100000748629 [0,1,0,0,0,1|2,0,0]=4 2060 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000748629 [0,1,0,0,0,1|2,0,0]=4 2061 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000748629 [0,1,0,0,0,1|2,0,0]=4 2062 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)C 34a_100000074455_100000748629 [0,1,0,0,0,1|2,0,0]=4 2063 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)C 7a_100000074455_100000748629 [0,1,0,0,0,1|2,0,0]=4 2064 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000748629 [0,1,0,0,0,1|2,0,0]=4 2065 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000748629 [0,1,0,0,0,1|2,0,0]=4 2066 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)F 34a_100000100223_100000748629 [0,1,0,0,0,1|2,0,0]=4 2067 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)F 7a_100000100223_100000748629 [0,1,0,0,0,1|2,0,0]=4 2068 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)N 34a_100000705857_100000748629 [0,1,0,0,0,1|2,0,0]=4 2069 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)N 7a_100000705857_100000748629 [0,1,0,0,0,1|2,0,0]=4 2070 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)C 62a_100000748629_100011215156 [0,1,0,0,0,1|2,0,0]=4 2071 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)C 62a_100011215156_100000211660 [0,1,0,0,0,1|2,0,0]=4 2072 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)F 62a_100000748629_100011218216 [0,1,0,0,0,1|2,0,0]=4 2073 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000211660 [0,1,0,0,0,1|2,0,0]=4 2074 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000211660 [0,1,0,0,0,1|2,0,0]=4 2075 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)O 62a_100000748629_100000186334 [0,1,0,0,0,1|2,0,0]=4 2076 B17R2.39629 C=C(F)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100009893438 [0,1,0,0,0,1|2,0,0]=4 2077 B17R2.39629 C=C(F)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100009893438 [0,1,0,0,0,1|2,0,0]=4 2078 B17R2.39629 C=C(F)CNc1ccc(c2c1cccc2)F 34a_100011988692_100009893438 [0,1,0,0,0,1|2,0,0]=4 2079 B17R2.39629 C=C(F)CNc1ccc(c2c1cccc2)O 34a_100000705857_100009893438 [0,1,0,0,0,1|2,0,0]=4 2080 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)Br 34a_100000186334_100009893438 [0,1,0,0,0,1|2,0,0]=4 2081 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000042424 [0,1,0,0,0,1|2,0,0]=4 2082 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)C 34a_100000074455_100009893438 [0,1,0,0,0,1|2,0,0]=4 2083 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)C 7a_100000074455_100000042424 [0,1,0,0,0,1|2,0,0]=4 2084 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100009893438 [0,1,0,0,0,1|2,0,0]=4 2085 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000042424 [0,1,0,0,0,1|2,0,0]=4 2086 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)F 34a_100000100223_100009893438 [0,1,0,0,0,1|2,0,0]=4 2087 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)F 7a_100000100223_100000042424 [0,1,0,0,0,1|2,0,0]=4 2088 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)N 34a_100000705857_100009893438 [0,1,0,0,0,1|2,0,0]=4 2089 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)N 7a_100000705857_100000042424 [0,1,0,0,0,1|2,0,0]=4 2090 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)C 62a_100000042424_100011215156 [0,1,0,0,0,1|2,0,0]=4 2091 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)C 62a_100011215156_100000042424 [0,1,0,0,0,1|2,0,0]=4 2092 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)F 62a_100000042424_100011218216 [0,1,0,0,0,1|2,0,0]=4 2093 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000042424 [0,1,0,0,0,1|2,0,0]=4 2094 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000042424 [0,1,0,0,0,1|2,0,0]=4 2095 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)O 62a_100000042424_100000186334 [0,1,0,0,0,1|2,0,0]=4 2096 B17R2.39629 CC(=O)CCc1ccc(c2c1cccc2)C 1458a_200010294770_200000210301 [0,1,0,0,0,1|1,0,0]=3 2097 B17R2.39629 CC(=O)COc1ccc(c2c1cccc2)Br 1458a_100009812199_200000210301 [0,1,0,0,0,1|1,0,0]=3 2098 B17R2.39629 CC(=O)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_200000210301 [0,1,0,0,0,1|1,0,0]=3 2099 B17R2.39629 CC(=O)COc1ccc(c2c1nccc2)Cl 1458a_100000246055_200000210301 [0,1,0,0,0,1|2,0,0]=4 2100 B17R2.39629 CC(=O)NCc1ccc(c2c1cccc2)Br 11a_100016995114_100015343762 [0,1,0,0,0,1|1,0,0]=3 2101 B17R2.39629 CC(=O)NCc1ccc(c2c1cccc2)Br 1626a_100016995114_100015343762 [0,1,0,0,0,1|1,0,0]=3 2102 B17R2.39629 CC(=O)NCc1ccc(c2c1cccc2)Br 240690a_100016995114_100015343762 [0,1,0,0,0,1|1,0,0]=3 2103 B17R2.39629 CC(=O)NCc1ccc(c2c1cccc2)Br 527a_100016995114_100103153847 [0,1,0,0,0,1|1,0,0]=3 2104 B17R2.39629 CC(O)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100011218427 [0,1,0,0,0,1|1,0,1]=4 2105 B17R2.39629 CC(O)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100011218427 [0,1,0,0,0,1|1,0,1]=4 2106 B17R2.39629 CC(O)CNc1ccc(c2c1cccc2)F 34a_100011988692_100011218427 [0,1,0,0,0,1|1,0,1]=4 2107 B17R2.39629 CC(O)CNc1ccc(c2c1cccc2)O 34a_100000705857_100011218427 [0,1,0,0,0,1|1,0,1]=4 2108 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100011218427 [0,1,0,0,0,1|1,0,1]=4 2109 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100011218427 [0,1,0,0,0,1|1,0,1]=4 2110 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100011218427 [0,1,0,0,0,1|1,0,1]=4 2111 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100011218427 [0,1,0,0,0,1|1,0,1]=4 2112 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)F 34a_100000100223_100011218427 [0,1,0,0,0,1|1,0,1]=4 2113 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)F 7a_100000100223_100011218427 [0,1,0,0,0,1|1,0,1]=4 2114 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)N 34a_100000705857_100011218427 [0,1,0,0,0,1|1,0,1]=4 2115 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)N 7a_100000705857_100011218427 [0,1,0,0,0,1|1,0,1]=4 2116 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)Br 62a_100011218427_100012339872 [0,1,0,0,0,1|1,0,1]=4 2117 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100011218427 [0,1,0,0,0,1|1,0,1]=4 2118 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100011218427 [0,1,0,0,0,1|1,0,1]=4 2119 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)F 62a_100011218427_100011218216 [0,1,0,0,0,1|1,0,1]=4 2120 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100011218427 [0,1,0,0,0,1|1,0,1]=4 2121 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)O 62a_100011218427_100000186334 [0,1,0,0,0,1|1,0,1]=4 2122 B17R2.39629 C[C@@H](O)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100009817552 [0,1,0,0,0,1|1,0,1]=4 2123 B17R2.39629 C[C@@H](O)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100009817552 [0,1,0,0,0,1|1,0,1]=4 2124 B17R2.39629 C[C@@H](O)CNc1ccc(c2c1cccc2)F 34a_100011988692_100009817552 [0,1,0,0,0,1|1,0,1]=4 2125 B17R2.39629 C[C@@H](O)CNc1ccc(c2c1cccc2)O 34a_100000705857_100009817552 [0,1,0,0,0,1|1,0,1]=4 2126 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100009817552 [0,1,0,0,0,1|1,0,1]=4 2127 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100009817552 [0,1,0,0,0,1|1,0,1]=4 2128 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100009817552 [0,1,0,0,0,1|1,0,1]=4 2129 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100009817552 [0,1,0,0,0,1|1,0,1]=4 2130 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)F 34a_100000100223_100009817552 [0,1,0,0,0,1|1,0,1]=4 2131 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)F 7a_100000100223_100009817552 [0,1,0,0,0,1|1,0,1]=4 2132 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)N 34a_100000705857_100009817552 [0,1,0,0,0,1|1,0,1]=4 2133 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)N 7a_100000705857_100009817552 [0,1,0,0,0,1|1,0,1]=4 2134 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)Br 62a_100009817552_100012339872 [0,1,0,0,0,1|1,0,1]=4 2135 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100009817552 [0,1,0,0,0,1|1,0,1]=4 2136 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)F 62a_100009817552_100011218216 [0,1,0,0,0,1|1,0,1]=4 2137 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100009817552 [0,1,0,0,0,1|1,0,1]=4 2138 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100009817552 [0,1,0,0,0,1|1,0,1]=4 2139 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)O 62a_100009817552_100000186334 [0,1,0,0,0,1|1,0,1]=4 2140 B17R2.39629 Cc1ccc(c2c1cccc2)CCC(=O)[13CH3] 1458a_200010294770_200025704644 [0,1,0,0,0,1|1,0,0]=3 2141 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(=O)N 34a_100000074455_100000187820 [0,1,0,0,0,1|1,0,0]=3 2142 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(=O)N 7a_100000074455_100000187820 [0,1,0,0,0,1|1,0,0]=3 2143 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(=O)[O-] 34a_100000074455_100020667443 [0,1,0,0,0,1|0,0,1]=3 2144 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(C)O 34a_100000074455_100011218427 [0,1,0,0,0,1|1,0,1]=4 2145 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(C)O 7a_100000074455_100011218427 [0,1,0,0,0,1|1,0,1]=4 2146 B17R2.39629 Cc1ccc(c2c1cccc2)OC[C@@H](C)O 34a_100000074455_100009817552 [0,1,0,0,0,1|1,0,1]=4 2147 B17R2.39629 Cc1ccc(c2c1cccc2)OC[C@@H](C)O 7a_100000074455_100009817552 [0,1,0,0,0,1|1,0,1]=4 2148 B17R2.39629 Cc1ccc(c2c1cccc2)OC[N+](=O)[O-] 34a_100000074455_100000761209 [0,1,0,0,0,1|1,0,1]=4 2149 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(=O)N 62a_100000747473_100011215156 [0,1,0,0,0,1|1,0,0]=3 2150 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(=O)N 62a_100011215156_100000747473 [0,1,0,0,0,1|1,0,0]=3 2151 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100011215156_100020667443 [0,1,0,0,0,1|0,0,1]=3 2152 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100011215156 [0,1,0,0,0,1|0,0,1]=3 2153 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(C)O 62a_100011215156_100011218427 [0,1,0,0,0,1|1,0,1]=4 2154 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(C)O 62a_100011218427_100011215156 [0,1,0,0,0,1|1,0,1]=4 2155 B17R2.39629 Cc1ccc(c2c1cccc2)SC[C@@H](C)O 62a_100009817552_100011215156 [0,1,0,0,0,1|1,0,1]=4 2156 B17R2.39629 Cc1ccc(c2c1cccc2)SC[C@@H](C)O 62a_100011215156_100009817552 [0,1,0,0,0,1|1,0,1]=4 2157 B17R2.39629 Cc1ccc(c2c1cccc2)SC[N+](=O)[O-] 62a_100011215156_100000761209 [0,1,0,0,0,1|1,0,1]=4 2158 B17R2.39629 Cc1ccc(c2c1cccn2)OCC(=O)N 34a_100000058672_100000187820 [0,1,0,0,0,1|2,0,0]=4 2159 B17R2.39629 Cc1ccc(c2c1cccn2)OCC(=O)N 7a_100000058672_100000187820 [0,1,0,0,0,1|2,0,0]=4 2160 B17R2.39629 Cc1ccc(c2c1cccn2)OCC(=O)[O-] 34a_100000058672_100020667443 [0,1,0,0,0,1|1,0,1]=4 2161 B17R2.39629 Cc1ccc(c2c1nccc2)NCC(=O)N 34a_100000736242_100000187820 [0,1,0,0,0,1|2,0,0]=4 2162 B17R2.39629 Cc1ccc(c2c1nccc2)NCC(=O)[O-] 34a_100000736242_100020667443 [0,1,0,0,0,1|1,0,1]=4 2163 B17R2.39629 Cc1ccc(c2c1nccc2)SCC(=O)N 62a_100000747473_100000694312 [0,1,0,0,0,1|2,0,0]=4 2164 B17R2.39629 Cc1ccc(c2c1nccc2)SCC(=O)[O-] 62a_100020667443_100000694312 [0,1,0,0,0,1|1,0,1]=4 2165 B17R2.39629 Cc1cnc(c2c1cccc2)SCC(=O)N 62a_100000747473_100000112005 [0,1,0,0,0,1|2,0,0]=4 2166 B17R2.39629 Cc1cnc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100000112005 [0,1,0,0,0,1|1,0,1]=4 2167 B17R2.39629 Cc1ncc(c2c1cccc2)SCC(=O)N 62a_100000747473_100010239772 [0,1,0,0,0,1|2,0,0]=4 2168 B17R2.39629 Cc1ncc(c2c1cccc2)SCC(=O)N 62a_100010239772_100000747473 [0,1,0,0,0,1|2,0,0]=4 2169 B17R2.39629 Cc1ncc(c2c1cccc2)SCC(=O)[O-] 62a_100010239772_100020667443 [0,1,0,0,0,1|1,0,1]=4 2170 B17R2.39629 Cc1ncc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100010239772 [0,1,0,0,0,1|1,0,1]=4 2171 B17R2.39629 NC(=O)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100000187820 [0,1,0,0,0,1|1,0,0]=3 2172 B17R2.39629 NC(=O)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000187820 [0,1,0,0,0,1|1,0,0]=3 2173 B17R2.39629 NC(=O)CNc1ccc(c2c1cccc2)F 34a_100011988692_100000187820 [0,1,0,0,0,1|1,0,0]=3 2174 B17R2.39629 NC(=O)CNc1ccc(c2c1cccc2)O 34a_100000705857_100000187820 [0,1,0,0,0,1|1,0,0]=3 2175 B17R2.39629 NC(=O)CNc1ccc(c2c1cccn2)Br 34a_100012360041_100000187820 [0,1,0,0,0,1|2,0,0]=4 2176 B17R2.39629 NC(=O)CNc1ccc(c2c1cccn2)Cl 34a_100000746469_100000187820 [0,1,0,0,0,1|2,0,0]=4 2177 B17R2.39629 NC(=O)CNc1ccc(c2c1cccn2)F 34a_102125277280_100000187820 [0,1,0,0,0,1|2,0,0]=4 2178 B17R2.39629 NC(=O)CNc1ccc(c2c1cccn2)O 34a_100000188197_100000187820 [0,1,0,0,0,1|2,0,0]=4 2179 B17R2.39629 NC(=O)CNc1ccc(c2c1ccnc2)Cl 34a_100012183343_100000187820 [0,1,0,0,0,1|2,0,0]=4 2180 B17R2.39629 NC(=O)CNc1ccc(c2c1nccc2)Br 34a_100000726955_100000187820 [0,1,0,0,0,1|2,0,0]=4 2181 B17R2.39629 NC(=O)CNc1ccc(c2c1nccc2)Cl 34a_100000736140_100000187820 [0,1,0,0,0,1|2,0,0]=4 2182 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000187820 [0,1,0,0,0,1|1,0,0]=3 2183 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000187820 [0,1,0,0,0,1|1,0,0]=3 2184 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000187820 [0,1,0,0,0,1|1,0,0]=3 2185 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000187820 [0,1,0,0,0,1|1,0,0]=3 2186 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)F 34a_100000100223_100000187820 [0,1,0,0,0,1|1,0,0]=3 2187 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)F 7a_100000100223_100000187820 [0,1,0,0,0,1|1,0,0]=3 2188 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)N 34a_100000705857_100000187820 [0,1,0,0,0,1|1,0,0]=3 2189 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)N 7a_100000705857_100000187820 [0,1,0,0,0,1|1,0,0]=3 2190 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)Br 34a_100011934063_100000187820 [0,1,0,0,0,1|2,0,0]=4 2191 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)Br 7a_100011934063_100000187820 [0,1,0,0,0,1|2,0,0]=4 2192 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)Cl 34a_100000212186_100000187820 [0,1,0,0,0,1|2,0,0]=4 2193 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100000187820 [0,1,0,0,0,1|2,0,0]=4 2194 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)F 34a_100000034212_100000187820 [0,1,0,0,0,1|2,0,0]=4 2195 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)F 7a_100000034212_100000187820 [0,1,0,0,0,1|2,0,0]=4 2196 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)N 34a_100000188197_100000187820 [0,1,0,0,0,1|2,0,0]=4 2197 B17R2.39629 NC(=O)COc1cnc(c2c1cccc2)Cl 34a_100000067196_100000187820 [0,1,0,0,0,1|2,0,0]=4 2198 B17R2.39629 NC(=O)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100000187820 [0,1,0,0,0,1|2,0,0]=4 2199 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)Br 62a_100000747473_100012339872 [0,1,0,0,0,1|1,0,0]=3 2200 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100000747473 [0,1,0,0,0,1|1,0,0]=3 2201 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)F 62a_100000747473_100011218216 [0,1,0,0,0,1|1,0,0]=3 2202 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000747473 [0,1,0,0,0,1|1,0,0]=3 2203 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000747473 [0,1,0,0,0,1|1,0,0]=3 2204 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)O 62a_100000747473_100000186334 [0,1,0,0,0,1|1,0,0]=3 2205 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)F 62a_100000747473_100010245834 [0,1,0,0,0,1|2,0,0]=4 2206 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)F 62a_100010245834_100000747473 [0,1,0,0,0,1|2,0,0]=4 2207 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)N 62a_100000726955_100000747473 [0,1,0,0,0,1|2,0,0]=4 2208 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)N 62a_100000747473_100000726955 [0,1,0,0,0,1|2,0,0]=4 2209 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)O 62a_100000747473_100011934063 [0,1,0,0,0,1|2,0,0]=4 2210 B17R2.39629 NC(=O)CSc1ccc(c2c1ccnc2)F 62a_100000698020_100000747473 [0,1,0,0,0,1|2,0,0]=4 2211 B17R2.39629 NC(=O)CSc1ccc(c2c1ccnc2)F 62a_100000747473_100000698020 [0,1,0,0,0,1|2,0,0]=4 2212 B17R2.39629 NC(=O)CSc1ccc(c2c1ccnc2)N 62a_100000747473_100011218454 [0,1,0,0,0,1|2,0,0]=4 2213 B17R2.39629 NC(=O)CSc1ccc(c2c1ccnc2)N 62a_100011218454_100000747473 [0,1,0,0,0,1|2,0,0]=4 2214 B17R2.39629 NC(=O)CSc1ccc(c2c1cncc2)F 62a_100000747473_100010244717 [0,1,0,0,0,1|2,0,0]=4 2215 B17R2.39629 NC(=O)CSc1ccc(c2c1cncc2)F 62a_100010244717_100000747473 [0,1,0,0,0,1|2,0,0]=4 2216 B17R2.39629 NC(=O)CSc1ccc(c2c1cncc2)N 62a_100000747473_200012344021 [0,1,0,0,0,1|2,0,0]=4 2217 B17R2.39629 NC(=O)CSc1ccc(c2c1cncc2)N 62a_200012344021_100000747473 [0,1,0,0,0,1|2,0,0]=4 2218 B17R2.39629 NC(=O)CSc1ccc(c2c1nccc2)F 62a_100000747473_100010214461 [0,1,0,0,0,1|2,0,0]=4 2219 B17R2.39629 NC(=O)CSc1ccc(c2c1nccc2)F 62a_100010214461_100000747473 [0,1,0,0,0,1|2,0,0]=4 2220 B17R2.39629 NC(=O)CSc1ccc(c2c1nccc2)N 62a_100000747473_100012360041 [0,1,0,0,0,1|2,0,0]=4 2221 B17R2.39629 NC(=O)CSc1ccc(c2c1nccc2)N 62a_100012360041_100000747473 [0,1,0,0,0,1|2,0,0]=4 2222 B17R2.39629 NC(=O)CSc1cnc(c2c1cccc2)N 62a_100000747473_100010158575 [0,1,0,0,0,1|2,0,0]=4 2223 B17R2.39629 NC(=O)CSc1cnc(c2c1cccc2)N 62a_100010158575_100000747473 [0,1,0,0,0,1|2,0,0]=4 2224 B17R2.39629 NC(=O)CSc1cnc(c2c1cccc2)O 62a_100000747473_100009816523 [0,1,0,0,0,1|2,0,0]=4 2225 B17R2.39629 NC(=O)CSc1ncc(c2c1cccc2)N 62a_100000747473_200009868590 [0,1,0,0,0,1|2,0,0]=4 2226 B17R2.39629 NC(=O)CSc1ncc(c2c1cccc2)O 62a_100000747473_100000067196 [0,1,0,0,0,1|2,0,0]=4 2227 B17R2.39629 Nc1ccc(c2c1cccc2)OCC(=O)[O-] 34a_100000705857_100020667443 [0,1,0,0,0,1|0,0,1]=3 2228 B17R2.39629 Nc1ccc(c2c1cccc2)OC[N+](=O)[O-] 34a_100000705857_100000761209 [0,1,0,0,0,1|1,0,1]=4 2229 B17R2.39629 Nc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100000766797_100020667443 [0,1,0,0,0,1|0,0,1]=3 2230 B17R2.39629 Nc1ccc(c2c1cccc2)SC[N+](=O)[O-] 62a_100000766797_100000761209 [0,1,0,0,0,1|1,0,1]=4 2231 B17R2.39629 Nc1ccc(c2c1cccn2)OCC(=O)[O-] 34a_100000188197_100020667443 [0,1,0,0,0,1|1,0,1]=4 2232 B17R2.39629 Nc1ccc(c2c1cccn2)SCC(=O)[O-] 62a_100012360041_100020667443 [0,1,0,0,0,1|1,0,1]=4 2233 B17R2.39629 Nc1ccc(c2c1cccn2)SCC(=O)[O-] 62a_100020667443_100012360041 [0,1,0,0,0,1|1,0,1]=4 2234 B17R2.39629 Nc1ccc(c2c1ccnc2)SCC(=O)[O-] 62a_100020667443_200012344021 [0,1,0,0,0,1|1,0,1]=4 2235 B17R2.39629 Nc1ccc(c2c1ccnc2)SCC(=O)[O-] 62a_200012344021_100020667443 [0,1,0,0,0,1|1,0,1]=4 2236 B17R2.39629 Nc1ccc(c2c1cncc2)SCC(=O)[O-] 62a_100011218454_100020667443 [0,1,0,0,0,1|1,0,1]=4 2237 B17R2.39629 Nc1ccc(c2c1cncc2)SCC(=O)[O-] 62a_100020667443_100011218454 [0,1,0,0,0,1|1,0,1]=4 2238 B17R2.39629 Nc1ccc(c2c1nccc2)SCC(=O)[O-] 62a_100000726955_100020667443 [0,1,0,0,0,1|1,0,1]=4 2239 B17R2.39629 Nc1ccc(c2c1nccc2)SCC(=O)[O-] 62a_100020667443_100000726955 [0,1,0,0,0,1|1,0,1]=4 2240 B17R2.39629 Nc1cnc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_200009868590 [0,1,0,0,0,1|1,0,1]=4 2241 B17R2.39629 Nc1ncc(c2c1cccc2)SCC(=O)[O-] 62a_100010158575_100020667443 [0,1,0,0,0,1|1,0,1]=4 2242 B17R2.39629 Nc1ncc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100010158575 [0,1,0,0,0,1|1,0,1]=4 2243 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccc2)Br 34a_100000766797_100020667443 [0,1,0,0,0,1|0,0,1]=3 2244 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100020667443 [0,1,0,0,0,1|0,0,1]=3 2245 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccc2)F 34a_100011988692_100020667443 [0,1,0,0,0,1|0,0,1]=3 2246 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccc2)O 34a_100000705857_100020667443 [0,1,0,0,0,1|0,0,1]=3 2247 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccn2)Br 34a_100012360041_100020667443 [0,1,0,0,0,1|1,0,1]=4 2248 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccn2)Cl 34a_100000746469_100020667443 [0,1,0,0,0,1|1,0,1]=4 2249 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccn2)F 34a_102125277280_100020667443 [0,1,0,0,0,1|1,0,1]=4 2250 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccn2)O 34a_100000188197_100020667443 [0,1,0,0,0,1|1,0,1]=4 2251 B17R2.39629 O=C([O-])CNc1ccc(c2c1ccnc2)Cl 34a_100012183343_100020667443 [0,1,0,0,0,1|1,0,1]=4 2252 B17R2.39629 O=C([O-])CNc1ccc(c2c1nccc2)Br 34a_100000726955_100020667443 [0,1,0,0,0,1|1,0,1]=4 2253 B17R2.39629 O=C([O-])CNc1ccc(c2c1nccc2)Cl 34a_100000736140_100020667443 [0,1,0,0,0,1|1,0,1]=4 2254 B17R2.39629 O=C([O-])COc1ccc(c2c1cccc2)Br 34a_100000186334_100020667443 [0,1,0,0,0,1|0,0,1]=3 2255 B17R2.39629 O=C([O-])COc1ccc(c2c1cccc2)Cl 34a_100000211000_100020667443 [0,1,0,0,0,1|0,0,1]=3 2256 B17R2.39629 O=C([O-])COc1ccc(c2c1cccc2)F 34a_100000100223_100020667443 [0,1,0,0,0,1|0,0,1]=3 2257 B17R2.39629 O=C([O-])COc1ccc(c2c1nccc2)Br 34a_100011934063_100020667443 [0,1,0,0,0,1|1,0,1]=4 2258 B17R2.39629 O=C([O-])COc1ccc(c2c1nccc2)Cl 34a_100000212186_100020667443 [0,1,0,0,0,1|1,0,1]=4 2259 B17R2.39629 O=C([O-])COc1ccc(c2c1nccc2)F 34a_100000034212_100020667443 [0,1,0,0,0,1|1,0,1]=4 2260 B17R2.39629 O=C([O-])COc1cnc(c2c1cccc2)Cl 34a_100000067196_100020667443 [0,1,0,0,0,1|1,0,1]=4 2261 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)Br 62a_100012339872_100020667443 [0,1,0,0,0,1|0,0,1]=3 2262 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)Br 62a_100020667443_100012339872 [0,1,0,0,0,1|0,0,1]=3 2263 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)F 62a_100011218216_100020667443 [0,1,0,0,0,1|0,0,1]=3 2264 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)F 62a_100020667443_100011218216 [0,1,0,0,0,1|0,0,1]=3 2265 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)O 62a_100020667443_100000186334 [0,1,0,0,0,1|0,0,1]=3 2266 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccn2)F 62a_100010245834_100020667443 [0,1,0,0,0,1|1,0,1]=4 2267 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccn2)F 62a_100020667443_100010245834 [0,1,0,0,0,1|1,0,1]=4 2268 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccn2)O 62a_100020667443_100011934063 [0,1,0,0,0,1|1,0,1]=4 2269 B17R2.39629 O=C([O-])CSc1ccc(c2c1ccnc2)F 62a_100000698020_100020667443 [0,1,0,0,0,1|1,0,1]=4 2270 B17R2.39629 O=C([O-])CSc1ccc(c2c1ccnc2)F 62a_100020667443_100000698020 [0,1,0,0,0,1|1,0,1]=4 2271 B17R2.39629 O=C([O-])CSc1ccc(c2c1cncc2)F 62a_100010244717_100020667443 [0,1,0,0,0,1|1,0,1]=4 2272 B17R2.39629 O=C([O-])CSc1ccc(c2c1cncc2)F 62a_100020667443_100010244717 [0,1,0,0,0,1|1,0,1]=4 2273 B17R2.39629 O=C([O-])CSc1ccc(c2c1nccc2)F 62a_100010214461_100020667443 [0,1,0,0,0,1|1,0,1]=4 2274 B17R2.39629 O=C([O-])CSc1ccc(c2c1nccc2)F 62a_100020667443_100010214461 [0,1,0,0,0,1|1,0,1]=4 2275 B17R2.39629 O=C([O-])CSc1cnc(c2c1cccc2)O 62a_100020667443_100009816523 [0,1,0,0,0,1|1,0,1]=4 2276 B17R2.39629 O=C([O-])CSc1ncc(c2c1cccc2)O 62a_100020667443_100000067196 [0,1,0,0,0,1|1,0,1]=4 2277 B17R2.39629 O=[N+]([O-])CNc1ccc(c2c1cccc2)Br 34a_100000766797_100000761209 [0,1,0,0,0,1|1,0,1]=4 2278 B17R2.39629 O=[N+]([O-])CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000761209 [0,1,0,0,0,1|1,0,1]=4 2279 B17R2.39629 O=[N+]([O-])CNc1ccc(c2c1cccc2)F 34a_100011988692_100000761209 [0,1,0,0,0,1|1,0,1]=4 2280 B17R2.39629 O=[N+]([O-])CNc1ccc(c2c1cccc2)O 34a_100000705857_100000761209 [0,1,0,0,0,1|1,0,1]=4 2281 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1cccc2)Br 34a_100000186334_100000761209 [0,1,0,0,0,1|1,0,1]=4 2282 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000761209 [0,1,0,0,0,1|1,0,1]=4 2283 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1cccc2)F 34a_100000100223_100000761209 [0,1,0,0,0,1|1,0,1]=4 2284 B17R2.39629 O=[N+]([O-])CSc1ccc(c2c1cccc2)Br 62a_100012339872_100000761209 [0,1,0,0,0,1|1,0,1]=4 2285 B17R2.39629 O=[N+]([O-])CSc1ccc(c2c1cccc2)F 62a_100011218216_100000761209 [0,1,0,0,0,1|1,0,1]=4 2286 B17R2.39629 [13CH3]C(=O)COc1ccc(c2c1cccc2)Br 1458a_100009812199_200025704644 [0,1,0,0,0,1|1,0,0]=3 2287 B17R2.39629 [13CH3]C(=O)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_200025704644 [0,1,0,0,0,1|1,0,0]=3 2288 B17R2.39629 [13CH3]C(=O)COc1ccc(c2c1nccc2)Cl 1458a_100000246055_200025704644 [0,1,0,0,0,1|2,0,0]=4 2289 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100000748629 [0,1,0,0,0,1|2,0,0]=4 2290 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)C 34a_100009841044_100000748629 [0,1,0,0,0,1|2,0,0]=4 2291 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)C 7a_100009841044_100000748629 [0,1,0,0,0,1|2,0,0]=4 2292 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000748629 [0,1,0,0,0,1|2,0,0]=4 2293 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)F 34a_100009878580_100000748629 [0,1,0,0,0,1|2,0,0]=4 2294 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000748629 [0,1,0,0,0,1|2,0,0]=4 2295 B17R2.252033 C=C(C)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000748629 [0,1,0,0,0,1|2,0,0]=4 2296 B17R2.252033 C=C(C)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000748629 [0,1,0,0,0,1|2,0,0]=4 2297 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)C 62a_100000748629_100009995290 [0,1,0,0,0,1|2,0,0]=4 2298 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)F 62a_100000748629_100010177852 [0,1,0,0,0,1|2,0,0]=4 2299 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000211660 [0,1,0,0,0,1|2,0,0]=4 2300 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000211660 [0,1,0,0,0,1|2,0,0]=4 2301 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)O 62a_100000748629_100010089961 [0,1,0,0,0,1|2,0,0]=4 2302 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100009893438 [0,1,0,0,0,1|2,0,0]=4 2303 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)C 34a_100009841044_100009893438 [0,1,0,0,0,1|2,0,0]=4 2304 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)C 7a_100009841044_100000042424 [0,1,0,0,0,1|2,0,0]=4 2305 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100009893438 [0,1,0,0,0,1|2,0,0]=4 2306 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)F 34a_100009878580_100009893438 [0,1,0,0,0,1|2,0,0]=4 2307 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000042424 [0,1,0,0,0,1|2,0,0]=4 2308 B17R2.252033 C=C(F)COc1cccc2c1c(ccc2)Br 34a_100010089961_100009893438 [0,1,0,0,0,1|2,0,0]=4 2309 B17R2.252033 C=C(F)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000042424 [0,1,0,0,0,1|2,0,0]=4 2310 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)C 62a_100000042424_100009995290 [0,1,0,0,0,1|2,0,0]=4 2311 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)F 62a_100000042424_100010177852 [0,1,0,0,0,1|2,0,0]=4 2312 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000042424 [0,1,0,0,0,1|2,0,0]=4 2313 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000042424 [0,1,0,0,0,1|2,0,0]=4 2314 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)O 62a_100000042424_100010089961 [0,1,0,0,0,1|2,0,0]=4 2315 B17R2.252033 CC(=O)CSc1cccc2c1c(ccc2)Cl 1458a_100000260843_200000210301 [0,1,0,0,0,1|1,0,0]=3 2316 B17R2.252033 CC(O)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100011218427 [0,1,0,0,0,1|1,0,1]=4 2317 B17R2.252033 CC(O)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100011218427 [0,1,0,0,0,1|1,0,1]=4 2318 B17R2.252033 CC(O)CNc1cccc2c1c(ccc2)F 34a_100009878580_100011218427 [0,1,0,0,0,1|1,0,1]=4 2319 B17R2.252033 CC(O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100011218427 [0,1,0,0,0,1|1,0,1]=4 2320 B17R2.252033 CC(O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100011218427 [0,1,0,0,0,1|1,0,1]=4 2321 B17R2.252033 CC(O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100011218427 [0,1,0,0,0,1|1,0,1]=4 2322 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100011218427 [0,1,0,0,0,1|1,0,1]=4 2323 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)Br 62a_100011218427_100010243825 [0,1,0,0,0,1|1,0,1]=4 2324 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100011218427 [0,1,0,0,0,1|1,0,1]=4 2325 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)F 62a_100011218427_100010177852 [0,1,0,0,0,1|1,0,1]=4 2326 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100011218427 [0,1,0,0,0,1|1,0,1]=4 2327 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)O 62a_100011218427_100010089961 [0,1,0,0,0,1|1,0,1]=4 2328 B17R2.252033 C[C@@H](O)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100009817552 [0,1,0,0,0,1|1,0,1]=4 2329 B17R2.252033 C[C@@H](O)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100009817552 [0,1,0,0,0,1|1,0,1]=4 2330 B17R2.252033 C[C@@H](O)CNc1cccc2c1c(ccc2)F 34a_100009878580_100009817552 [0,1,0,0,0,1|1,0,1]=4 2331 B17R2.252033 C[C@@H](O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100009817552 [0,1,0,0,0,1|1,0,1]=4 2332 B17R2.252033 C[C@@H](O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100009817552 [0,1,0,0,0,1|1,0,1]=4 2333 B17R2.252033 C[C@@H](O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100009817552 [0,1,0,0,0,1|1,0,1]=4 2334 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)Br 62a_100009817552_100010243825 [0,1,0,0,0,1|1,0,1]=4 2335 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100009817552 [0,1,0,0,0,1|1,0,1]=4 2336 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)F 62a_100009817552_100010177852 [0,1,0,0,0,1|1,0,1]=4 2337 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100009817552 [0,1,0,0,0,1|1,0,1]=4 2338 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100009817552 [0,1,0,0,0,1|1,0,1]=4 2339 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)O 62a_100009817552_100010089961 [0,1,0,0,0,1|1,0,1]=4 2340 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(=O)N 34a_100009841044_100000187820 [0,1,0,0,0,1|1,0,0]=3 2341 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(=O)N 7a_100009841044_100000187820 [0,1,0,0,0,1|1,0,0]=3 2342 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(=O)[O-] 34a_100009841044_100020667443 [0,1,0,0,0,1|0,0,1]=3 2343 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(C)O 34a_100009841044_100011218427 [0,1,0,0,0,1|1,0,1]=4 2344 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(C)O 7a_100009841044_100011218427 [0,1,0,0,0,1|1,0,1]=4 2345 B17R2.252033 Cc1cccc2c1c(ccc2)NC[C@@H](C)O 34a_100009841044_100009817552 [0,1,0,0,0,1|1,0,1]=4 2346 B17R2.252033 Cc1cccc2c1c(ccc2)NC[C@@H](C)O 7a_100009841044_100009817552 [0,1,0,0,0,1|1,0,1]=4 2347 B17R2.252033 Cc1cccc2c1c(ccc2)NC[N+](=O)[O-] 34a_100009841044_100000761209 [0,1,0,0,0,1|1,0,1]=4 2348 B17R2.252033 Cc1cccc2c1c(ccc2)SCC(=O)N 62a_100000747473_100009995290 [0,1,0,0,0,1|1,0,0]=3 2349 B17R2.252033 Cc1cccc2c1c(ccc2)SCC(=O)[O-] 62a_100020667443_100009995290 [0,1,0,0,0,1|0,0,1]=3 2350 B17R2.252033 Cc1cccc2c1c(ccc2)SCC(C)O 62a_100011218427_100009995290 [0,1,0,0,0,1|1,0,1]=4 2351 B17R2.252033 Cc1cccc2c1c(ccc2)SC[C@@H](C)O 62a_100009817552_100009995290 [0,1,0,0,0,1|1,0,1]=4 2352 B17R2.252033 Cc1cccc2c1c(ccn2)OCC(=O)N 34a_100000087318_100000187820 [0,1,0,0,0,1|2,0,0]=4 2353 B17R2.252033 Cc1cccc2c1c(ccn2)OCC(=O)[O-] 34a_100000087318_100020667443 [0,1,0,0,0,1|1,0,1]=4 2354 B17R2.252033 Cc1cncc2c1c(ccc2)NCC(=O)N 34a_100009845824_100000187820 [0,1,0,0,0,1|2,0,0]=4 2355 B17R2.252033 Cc1cncc2c1c(ccc2)NCC(=O)[O-] 34a_100009845824_100020667443 [0,1,0,0,0,1|1,0,1]=4 2356 B17R2.252033 Cc1cncc2c1c(ccc2)SCC(=O)N 62a_100000747473_100009817140 [0,1,0,0,0,1|2,0,0]=4 2357 B17R2.252033 Cc1cncc2c1c(ccc2)SCC(=O)[O-] 62a_100020667443_100009817140 [0,1,0,0,0,1|1,0,1]=4 2358 B17R2.252033 NC(=O)CNc1cccc2c1[n+](ccc2)[O-] 34a_200000070183_100000187820 [0,1,0,0,0,1|2,0,0]=4 2359 B17R2.252033 NC(=O)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100000187820 [0,1,0,0,0,1|1,0,0]=3 2360 B17R2.252033 NC(=O)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000187820 [0,1,0,0,0,1|1,0,0]=3 2361 B17R2.252033 NC(=O)CNc1cccc2c1c(ccc2)F 34a_100009878580_100000187820 [0,1,0,0,0,1|1,0,0]=3 2362 B17R2.252033 NC(=O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000187820 [0,1,0,0,0,1|1,0,0]=3 2363 B17R2.252033 NC(=O)CNc1cccc2c1c(ccn2)Cl 34a_100010263589_100000187820 [0,1,0,0,0,1|2,0,0]=4 2364 B17R2.252033 NC(=O)CNc1cccc2c1c(cnc2)Br 34a_100000720362_100000187820 [0,1,0,0,0,1|2,0,0]=4 2365 B17R2.252033 NC(=O)COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100000187820 [0,1,0,0,0,1|2,0,0]=4 2366 B17R2.252033 NC(=O)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000187820 [0,1,0,0,0,1|2,0,0]=4 2367 B17R2.252033 NC(=O)COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100000187820 [0,1,0,0,0,1|2,0,0]=4 2368 B17R2.252033 NC(=O)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000187820 [0,1,0,0,0,1|2,0,0]=4 2369 B17R2.252033 NC(=O)COc1cccc2c1c(=O)cco2 34a_100000040341_100000187820 [0,1,0,0,0,1|2,0,0]=4 2370 B17R2.252033 NC(=O)COc1cccc2c1c(=O)cco2 7a_100000040341_100000187820 [0,1,0,0,0,1|2,0,0]=4 2371 B17R2.252033 NC(=O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000187820 [0,1,0,0,0,1|1,0,0]=3 2372 B17R2.252033 NC(=O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000187820 [0,1,0,0,0,1|1,0,0]=3 2373 B17R2.252033 NC(=O)COc1ccnc2c1c(ccc2)Br 34a_100010187735_100000187820 [0,1,0,0,0,1|2,0,0]=4 2374 B17R2.252033 NC(=O)COc1nccc2c1c(ccc2)Br 34a_100010162479_100000187820 [0,1,0,0,0,1|2,0,0]=4 2375 B17R2.252033 NC(=O)COc1nccc2c1c(ccc2)Cl 34a_200010297299_100000187820 [0,1,0,0,0,1|2,0,0]=4 2376 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)Br 62a_100000747473_100010243825 [0,1,0,0,0,1|1,0,0]=3 2377 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100000747473 [0,1,0,0,0,1|1,0,0]=3 2378 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)F 62a_100000747473_100010177852 [0,1,0,0,0,1|1,0,0]=3 2379 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000747473 [0,1,0,0,0,1|1,0,0]=3 2380 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000747473 [0,1,0,0,0,1|1,0,0]=3 2381 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)O 62a_100000747473_100010089961 [0,1,0,0,0,1|1,0,0]=3 2382 B17R2.252033 NC(=O)CSc1cccc2c1c(ncc2)N 62a_100010291105_100000747473 [0,1,0,0,0,1|2,0,0]=4 2383 B17R2.252033 NC(=O)CSc1cccc2c1c(ncc2)O 62a_100000747473_100010162479 [0,1,0,0,0,1|2,0,0]=4 2384 B17R2.252033 NC(=O)CSc1cncc2c1c(ccc2)N 62a_100000720362_100000747473 [0,1,0,0,0,1|2,0,0]=4 2385 B17R2.252033 NC(=O)CSc1cncc2c1c(ccc2)N 62a_100000747473_100000720362 [0,1,0,0,0,1|2,0,0]=4 2386 B17R2.252033 Nc1cccc2c1c(ccc2)SCC(=O)[O-] 62a_100010002837_100020667443 [0,1,0,0,0,1|0,0,1]=3 2387 B17R2.252033 Nc1cccc2c1c(ccc2)SC[N+](=O)[O-] 62a_100010002837_100000761209 [0,1,0,0,0,1|1,0,1]=4 2388 B17R2.252033 Nc1cccc2c1c(cnc2)SCC(=O)[O-] 62a_100000720362_100020667443 [0,1,0,0,0,1|1,0,1]=4 2389 B17R2.252033 Nc1cccc2c1c(cnc2)SCC(=O)[O-] 62a_100020667443_100000720362 [0,1,0,0,0,1|1,0,1]=4 2390 B17R2.252033 Nc1nccc2c1c(ccc2)SCC(=O)[O-] 62a_100010291105_100020667443 [0,1,0,0,0,1|1,0,1]=4 2391 B17R2.252033 O=C([O-])CNc1cccc2c1[n+](ccc2)[O-] 34a_200000070183_100020667443 [0,1,0,0,0,1|1,0,1]=4 2392 B17R2.252033 O=C([O-])CNc1cccc2c1c(ccc2)Br 34a_100010002837_100020667443 [0,1,0,0,0,1|0,0,1]=3 2393 B17R2.252033 O=C([O-])CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100020667443 [0,1,0,0,0,1|0,0,1]=3 2394 B17R2.252033 O=C([O-])CNc1cccc2c1c(ccc2)F 34a_100009878580_100020667443 [0,1,0,0,0,1|0,0,1]=3 2395 B17R2.252033 O=C([O-])CNc1cccc2c1c(ccn2)Cl 34a_100010263589_100020667443 [0,1,0,0,0,1|1,0,1]=4 2396 B17R2.252033 O=C([O-])CNc1cccc2c1c(cnc2)Br 34a_100000720362_100020667443 [0,1,0,0,0,1|1,0,1]=4 2397 B17R2.252033 O=C([O-])COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100020667443 [0,1,0,0,0,1|1,0,1]=4 2398 B17R2.252033 O=C([O-])COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100020667443 [0,1,0,0,0,1|1,0,1]=4 2399 B17R2.252033 O=C([O-])COc1cccc2c1c(=O)cco2 34a_100000040341_100020667443 [0,1,0,0,0,1|1,0,1]=4 2400 B17R2.252033 O=C([O-])COc1cccc2c1c(ccc2)Br 34a_100010089961_100020667443 [0,1,0,0,0,1|0,0,1]=3 2401 B17R2.252033 O=C([O-])COc1ccnc2c1c(ccc2)Br 34a_100010187735_100020667443 [0,1,0,0,0,1|1,0,1]=4 2402 B17R2.252033 O=C([O-])COc1nccc2c1c(ccc2)Br 34a_100010162479_100020667443 [0,1,0,0,0,1|1,0,1]=4 2403 B17R2.252033 O=C([O-])COc1nccc2c1c(ccc2)Cl 34a_200010297299_100020667443 [0,1,0,0,0,1|1,0,1]=4 2404 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)Br 62a_100010243825_100020667443 [0,1,0,0,0,1|0,0,1]=3 2405 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)Br 62a_100020667443_100010243825 [0,1,0,0,0,1|0,0,1]=3 2406 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)F 62a_100010177852_100020667443 [0,1,0,0,0,1|0,0,1]=3 2407 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)F 62a_100020667443_100010177852 [0,1,0,0,0,1|0,0,1]=3 2408 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)O 62a_100020667443_100010089961 [0,1,0,0,0,1|0,0,1]=3 2409 B17R2.252033 O=C([O-])CSc1cccc2c1c(ncc2)O 62a_100020667443_100010162479 [0,1,0,0,0,1|1,0,1]=4 2410 B17R2.252033 O=[N+]([O-])CNc1cccc2c1c(ccc2)Br 34a_100010002837_100000761209 [0,1,0,0,0,1|1,0,1]=4 2411 B17R2.252033 O=[N+]([O-])CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000761209 [0,1,0,0,0,1|1,0,1]=4 2412 B17R2.252033 O=[N+]([O-])CNc1cccc2c1c(ccc2)F 34a_100009878580_100000761209 [0,1,0,0,0,1|1,0,1]=4 2413 B17R2.252033 O=[N+]([O-])COc1cccc2c1c(ccc2)Br 34a_100010089961_100000761209 [0,1,0,0,0,1|1,0,1]=4 2414 B17R2.252033 O=[N+]([O-])CSc1cccc2c1c(ccc2)Br 62a_100010243825_100000761209 [0,1,0,0,0,1|1,0,1]=4 2415 B17R2.252033 O=[N+]([O-])CSc1cccc2c1c(ccc2)F 62a_100010177852_100000761209 [0,1,0,0,0,1|1,0,1]=4 2416 B17R2.252033 [13CH3]C(=O)CSc1cccc2c1c(ccc2)Cl 1458a_100000260843_200025704644 [0,1,0,0,0,1|1,0,0]=3 2417 B17R2.353364 C#CC(=O)CCc1cccc2c1cccc2 1458a_100000211873_100011290781 [0,1,0,0,0,1|1,0,0]=3 2418 B17R2.353364 C=C(C#N)CNc1cccc2c1cccc2 34a_100000185869_100000694840 [0,1,0,0,0,1|2,0,0]=4 2419 B17R2.353364 C=C(C#N)COc1cccc2c1cccc2 34a_100000210388_100000694840 [0,1,0,0,0,1|2,0,0]=4 2420 B17R2.353364 C=CC(=O)CCc1cccc2c1cccc2 1458a_100000185746_100011290781 [0,1,0,0,0,1|1,0,0]=3 2421 B17R2.353364 C=CC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100000185746 [0,1,0,0,0,1|1,0,0]=3 2422 B17R2.353364 C=CC(=O)NCc1cccc2c1cccc2 240690a_100000753325_200121576911 [0,1,0,0,0,1|1,0,0]=3 2423 B17R2.353364 C=CC(=O)NCc1cccc2c1cccn2 1626a_100020628785_100000185746 [0,1,0,0,0,1|2,0,0]=4 2424 B17R2.353364 C=CC(=O)NCc1cccc2c1cccn2 240690a_100020628785_200121576911 [0,1,0,0,0,1|2,0,0]=4 2425 B17R2.353364 C=CC(=O)NCc1cccc2c1ccnc2 1626a_100011757365_100000185746 [0,1,0,0,0,1|2,0,0]=4 2426 B17R2.353364 C=CC(=O)NCc1cccc2c1ccnc2 240690a_100011757365_200121576911 [0,1,0,0,0,1|2,0,0]=4 2427 B17R2.353364 C=CC(=O)NCc1cccc2c1nccc2 1626a_100011195829_100000185746 [0,1,0,0,0,1|2,0,0]=4 2428 B17R2.353364 C=CC(=O)NCc1cccc2c1nccc2 240690a_100011195829_200121576911 [0,1,0,0,0,1|2,0,0]=4 2429 B17R2.353364 C=CC(=O)NCc1ccnc2c1cccc2 1626a_100015187208_100000185746 [0,1,0,0,0,1|2,0,0]=4 2430 B17R2.353364 C=CC(=O)NCc1ccnc2c1cccc2 240690a_100015187208_200121576911 [0,1,0,0,0,1|2,0,0]=4 2431 B17R2.353364 C=CC(=O)NCc1nccc2c1cccc2 240690a_100000735229_200121576911 [0,1,0,0,0,1|2,0,0]=4 2432 B17R2.353364 C=CC(=O)NNc1cccc2c1cccc2 22a_100000006939_100000185746 [0,1,0,0,0,1|2,0,0]=4 2433 B17R2.353364 C=CC(O)CNc1cccc2c1cccc2 34a_100000185869_100000730141 [0,1,0,0,0,1|1,0,1]=4 2434 B17R2.353364 C=CC(O)COc1cccc2c1cccc2 34a_100000210388_100000730141 [0,1,0,0,0,1|1,0,1]=4 2435 B17R2.353364 C=CC(O)COc1cccc2c1cccc2 7a_100000210388_100000730141 [0,1,0,0,0,1|1,0,1]=4 2436 B17R2.353364 C=CC(O)CSc1cccc2c1cccc2 62a_100000730141_100000210605 [0,1,0,0,0,1|1,0,1]=4 2437 B17R2.353364 CC(=NNc1cccc2c1cccc2)CO 4a_100000006939_100000211253 [0,1,0,0,0,1|2,0,0]=4 2438 B17R2.353364 CC(CO)NCc1cccc2c1cccc2 34a_100000753325_100012180447 [0,1,0,0,0,1|1,0,1]=4 2439 B17R2.353364 CC(CO)OCc1cccc2c1cccc2 34a_100011216843_100012180447 [0,1,0,0,0,1|1,0,1]=4 2440 B17R2.353364 CC(CO)OCc1cccc2c1cccc2 7a_100011216843_100012180447 [0,1,0,0,0,1|1,0,1]=4 2441 B17R2.353364 CC(CO)SCc1cccc2c1cccc2 62a_100012180447_100000188474 [0,1,0,0,0,1|1,0,1]=4 2442 B17R2.353364 CCC(=O)C=Cc1cccc2c1cccc2 1458a_100000735324_100000210202 [0,1,0,0,0,1|1,0,1]=4 2443 B17R2.353364 CCC(=O)CCc1cccc2c1cccc2 1458a_100000210414_100011290781 [0,1,0,0,0,1|1,0,0]=3 2444 B17R2.353364 CCC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100000210202 [0,1,0,0,0,1|1,0,0]=3 2445 B17R2.353364 CCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000210202 [0,1,0,0,0,1|1,0,0]=3 2446 B17R2.353364 CCC(=O)COc1cccc2c1cccc2 7a_100000210388_100000747405 [0,1,0,0,0,1|1,0,0]=3 2447 B17R2.353364 CCC(=O)COc1cccc2c1nccc2 1458a_100000182336_100000210202 [0,1,0,0,0,1|2,0,0]=4 2448 B17R2.353364 CCC(=O)COc1cncc2c1cccc2 7a_100000066178_100000747405 [0,1,0,0,0,1|2,0,0]=4 2449 B17R2.353364 CCC(=O)CSc1cccc2c1cccc2 62a_100000747405_100000210605 [0,1,0,0,0,1|1,0,0]=3 2450 B17R2.353364 CCC(=O)CSc1cccc2c1cccn2 62a_100000747405_100011290932 [0,1,0,0,0,1|2,0,0]=4 2451 B17R2.353364 CCC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000747405 [0,1,0,0,0,1|2,0,0]=4 2452 B17R2.353364 CCC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000747405 [0,1,0,0,0,1|2,0,0]=4 2453 B17R2.353364 CCC(=O)CSc1cccc2c1ccnc2 62a_100000747405_100000186358 [0,1,0,0,0,1|2,0,0]=4 2454 B17R2.353364 CCC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000747405 [0,1,0,0,0,1|2,0,0]=4 2455 B17R2.353364 CCC(=O)CSc1cccc2c1cncc2 62a_100000747405_100000685578 [0,1,0,0,0,1|2,0,0]=4 2456 B17R2.353364 CCC(=O)CSc1cccc2c1nccc2 62a_100000747405_100011215545 [0,1,0,0,0,1|2,0,0]=4 2457 B17R2.353364 CCC(=O)CSc1ccnc2c1cccc2 62a_100000747405_100011215880 [0,1,0,0,0,1|2,0,0]=4 2458 B17R2.353364 CCC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747405 [0,1,0,0,0,1|2,0,0]=4 2459 B17R2.353364 CCC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747405 [0,1,0,0,0,1|2,0,0]=4 2460 B17R2.353364 CCC(=O)CSc1cncc2c1cccc2 62a_100000747405_100000187577 [0,1,0,0,0,1|2,0,0]=4 2461 B17R2.353364 CCC(=O)CSc1nccc2c1cccc2 62a_100000747405_100011934041 [0,1,0,0,0,1|2,0,0]=4 2462 B17R2.353364 CCC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747405 [0,1,0,0,0,1|2,0,0]=4 2463 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 11a_100000753325_100000210414 [0,1,0,0,0,1|1,0,0]=3 2464 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100000210414 [0,1,0,0,0,1|1,0,0]=3 2465 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 240690a_100000753325_100000210414 [0,1,0,0,0,1|1,0,0]=3 2466 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 527a_100000753325_100000210414 [0,1,0,0,0,1|1,0,0]=3 2467 B17R2.353364 CCC(=O)NCc1cccc2c1cccn2 11a_100020628785_100000210414 [0,1,0,0,0,1|2,0,0]=4 2468 B17R2.353364 CCC(=O)NCc1cccc2c1cccn2 1626a_100020628785_100000210414 [0,1,0,0,0,1|2,0,0]=4 2469 B17R2.353364 CCC(=O)NCc1cccc2c1cccn2 240690a_100020628785_100000210414 [0,1,0,0,0,1|2,0,0]=4 2470 B17R2.353364 CCC(=O)NCc1cccc2c1cccn2 527a_100020628785_100000210414 [0,1,0,0,0,1|2,0,0]=4 2471 B17R2.353364 CCC(=O)NCc1cccc2c1ccnc2 11a_100011757365_100000210414 [0,1,0,0,0,1|2,0,0]=4 2472 B17R2.353364 CCC(=O)NCc1cccc2c1ccnc2 1626a_100011757365_100000210414 [0,1,0,0,0,1|2,0,0]=4 2473 B17R2.353364 CCC(=O)NCc1cccc2c1ccnc2 240690a_100011757365_100000210414 [0,1,0,0,0,1|2,0,0]=4 2474 B17R2.353364 CCC(=O)NCc1cccc2c1ccnc2 527a_100011757365_100000210414 [0,1,0,0,0,1|2,0,0]=4 2475 B17R2.353364 CCC(=O)NCc1cccc2c1nccc2 11a_100011195829_100000210414 [0,1,0,0,0,1|2,0,0]=4 2476 B17R2.353364 CCC(=O)NCc1cccc2c1nccc2 1626a_100011195829_100000210414 [0,1,0,0,0,1|2,0,0]=4 2477 B17R2.353364 CCC(=O)NCc1cccc2c1nccc2 240690a_100011195829_100000210414 [0,1,0,0,0,1|2,0,0]=4 2478 B17R2.353364 CCC(=O)NCc1cccc2c1nccc2 527a_100011195829_100000210414 [0,1,0,0,0,1|2,0,0]=4 2479 B17R2.353364 CCC(=O)NCc1ccnc2c1cccc2 11a_100015187208_100000210414 [0,1,0,0,0,1|2,0,0]=4 2480 B17R2.353364 CCC(=O)NCc1ccnc2c1cccc2 1626a_100015187208_100000210414 [0,1,0,0,0,1|2,0,0]=4 2481 B17R2.353364 CCC(=O)NCc1ccnc2c1cccc2 240690a_100015187208_100000210414 [0,1,0,0,0,1|2,0,0]=4 2482 B17R2.353364 CCC(=O)NCc1ccnc2c1cccc2 527a_100015187208_100000210414 [0,1,0,0,0,1|2,0,0]=4 2483 B17R2.353364 CCC(=O)NCc1nccc2c1cccc2 11a_100000735229_100000210414 [0,1,0,0,0,1|2,0,0]=4 2484 B17R2.353364 CCC(=O)NCc1nccc2c1cccc2 240690a_100000735229_100000210414 [0,1,0,0,0,1|2,0,0]=4 2485 B17R2.353364 CCC(=O)NCc1nccc2c1cccc2 527a_100000735229_100000210414 [0,1,0,0,0,1|2,0,0]=4 2486 B17R2.353364 CCC(=O)NNc1cccc2c1cccc2 22a_100000006939_100000210414 [0,1,0,0,0,1|2,0,0]=4 2487 B17R2.353364 CCC(O)CNc1cccc2c1cccc2 34a_100000185869_100011218378 [0,1,0,0,0,1|1,0,1]=4 2488 B17R2.353364 CCC(O)COc1cccc2c1cccc2 34a_100000210388_100011218378 [0,1,0,0,0,1|1,0,1]=4 2489 B17R2.353364 CCC(O)COc1cccc2c1cccc2 7a_100000210388_100011218378 [0,1,0,0,0,1|1,0,1]=4 2490 B17R2.353364 CCC(O)CSc1cccc2c1cccc2 62a_100011218378_100000210605 [0,1,0,0,0,1|1,0,1]=4 2491 B17R2.353364 CNC(=O)C=Cc1cccc2c1cccc2 11a_106832991635_100000735324 [0,1,0,0,0,1|1,0,1]=4 2492 B17R2.353364 CNC(=O)C=Cc1cccc2c1cccc2 240690a_100102657272_100000735324 [0,1,0,0,0,1|1,0,1]=4 2493 B17R2.353364 CNC(=O)C=Cc1cccc2c1cccc2 527a_100102657272_100000735324 [0,1,0,0,0,1|1,0,1]=4 2494 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 11a_106832991635_100011218451 [0,1,0,0,0,1|1,0,0]=3 2495 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 1626a_100102657272_100011218451 [0,1,0,0,0,1|1,0,0]=3 2496 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 240690a_100102657272_100011218451 [0,1,0,0,0,1|1,0,0]=3 2497 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 527a_100102657272_100011218451 [0,1,0,0,0,1|1,0,0]=3 2498 B17R2.353364 CNC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000183359 [0,1,0,0,0,1|1,0,0]=3 2499 B17R2.353364 CNC(=O)CNc1cccc2c1cccn2 27a_100000693194_100011290932 [0,1,0,0,0,1|2,0,0]=4 2500 B17R2.353364 CNC(=O)CNc1cccc2c1cccn2 34a_100000183906_100000183359 [0,1,0,0,0,1|2,0,0]=4 2501 B17R2.353364 CNC(=O)CNc1cccc2c1nccc2 34a_100000181377_100000183359 [0,1,0,0,0,1|2,0,0]=4 2502 B17R2.353364 CNC(=O)CNc1ccnc2c1cccc2 27a_100000693194_100011215880 [0,1,0,0,0,1|2,0,0]=4 2503 B17R2.353364 CNC(=O)CNc1nccc2c1cccc2 27a_100000693194_100011934041 [0,1,0,0,0,1|2,0,0]=4 2504 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 11a_106832991635_100000183701 [0,1,0,0,0,1|1,0,0]=3 2505 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 1626a_100102657272_100000183701 [0,1,0,0,0,1|1,0,0]=3 2506 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 240690a_100102657272_100000183701 [0,1,0,0,0,1|1,0,0]=3 2507 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 34a_100000210388_100000183359 [0,1,0,0,0,1|1,0,0]=3 2508 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 527a_100102657272_100000183701 [0,1,0,0,0,1|1,0,0]=3 2509 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 7a_100000210388_100000183359 [0,1,0,0,0,1|1,0,0]=3 2510 B17R2.353364 CNC(=O)COc1cccc2c1cccn2 34a_100011197808_100000183359 [0,1,0,0,0,1|2,0,0]=4 2511 B17R2.353364 CNC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000183359 [0,1,0,0,0,1|2,0,0]=4 2512 B17R2.353364 CNC(=O)COc1cccc2c1cncc2 34a_103624766955_100000183359 [0,1,0,0,0,1|2,0,0]=4 2513 B17R2.353364 CNC(=O)COc1cccc2c1nccc2 11a_106832991635_100000182336 [0,1,0,0,0,1|2,0,0]=4 2514 B17R2.353364 CNC(=O)COc1cccc2c1nccc2 1626a_100102657272_100000182336 [0,1,0,0,0,1|2,0,0]=4 2515 B17R2.353364 CNC(=O)COc1cccc2c1nccc2 240690a_100102657272_100000182336 [0,1,0,0,0,1|2,0,0]=4 2516 B17R2.353364 CNC(=O)COc1cccc2c1nccc2 34a_100000056035_100000183359 [0,1,0,0,0,1|2,0,0]=4 2517 B17R2.353364 CNC(=O)COc1cncc2c1cccc2 34a_100000066178_100000183359 [0,1,0,0,0,1|2,0,0]=4 2518 B17R2.353364 CNC(=O)COc1cncc2c1cccc2 7a_100000066178_100000183359 [0,1,0,0,0,1|2,0,0]=4 2519 B17R2.353364 CNC(=O)COc1nccc2c1cccc2 34a_102531767632_100000183359 [0,1,0,0,0,1|2,0,0]=4 2520 B17R2.353364 CNC(=O)CSc1cccc2c1cccc2 62a_100000183359_100000210605 [0,1,0,0,0,1|1,0,0]=3 2521 B17R2.353364 CNC(=O)CSc1cccc2c1cccn2 62a_100000183359_100011290932 [0,1,0,0,0,1|2,0,0]=4 2522 B17R2.353364 CNC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000183359 [0,1,0,0,0,1|2,0,0]=4 2523 B17R2.353364 CNC(=O)CSc1cccc2c1ccnc2 62a_100000183359_100000186358 [0,1,0,0,0,1|2,0,0]=4 2524 B17R2.353364 CNC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000183359 [0,1,0,0,0,1|2,0,0]=4 2525 B17R2.353364 CNC(=O)CSc1cccc2c1cncc2 62a_100000183359_100000685578 [0,1,0,0,0,1|2,0,0]=4 2526 B17R2.353364 CNC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000183359 [0,1,0,0,0,1|2,0,0]=4 2527 B17R2.353364 CNC(=O)CSc1cccc2c1nccc2 62a_100000183359_100011215545 [0,1,0,0,0,1|2,0,0]=4 2528 B17R2.353364 CNC(=O)CSc1ccnc2c1cccc2 62a_100000183359_100011215880 [0,1,0,0,0,1|2,0,0]=4 2529 B17R2.353364 CNC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000183359 [0,1,0,0,0,1|2,0,0]=4 2530 B17R2.353364 CNC(=O)CSc1cncc2c1cccc2 62a_100000183359_100000187577 [0,1,0,0,0,1|2,0,0]=4 2531 B17R2.353364 CNC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000183359 [0,1,0,0,0,1|2,0,0]=4 2532 B17R2.353364 CNC(=O)CSc1nccc2c1cccc2 62a_100000183359_100011934041 [0,1,0,0,0,1|2,0,0]=4 2533 B17R2.353364 CNC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000183359 [0,1,0,0,0,1|2,0,0]=4 2534 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 2708a_100000753325_106832991635 [0,1,0,0,0,1|1,0,0]=3 2535 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 2708a_100102657272_100000753325 [0,1,0,0,0,1|1,0,0]=3 2536 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 273464a_100000753325_100102657272 [0,1,0,0,0,1|1,0,0]=3 2537 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 273464a_100102657272_100000753325 [0,1,0,0,0,1|1,0,0]=3 2538 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 512a_100000753325_100102657272 [0,1,0,0,0,1|1,0,0]=3 2539 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 512a_106832991638_100000753325 [0,1,0,0,0,1|1,0,0]=3 2540 B17R2.353364 CNC(=O)NCc1cccc2c1cccn2 2708a_100020628785_106832991635 [0,1,0,0,0,1|2,0,0]=4 2541 B17R2.353364 CNC(=O)NCc1cccc2c1cccn2 2708a_100102657272_100020628785 [0,1,0,0,0,1|2,0,0]=4 2542 B17R2.353364 CNC(=O)NCc1cccc2c1cccn2 273464a_100020628785_100102657272 [0,1,0,0,0,1|2,0,0]=4 2543 B17R2.353364 CNC(=O)NCc1cccc2c1cccn2 273464a_100102657272_100020628785 [0,1,0,0,0,1|2,0,0]=4 2544 B17R2.353364 CNC(=O)NCc1cccc2c1cccn2 512a_100020628785_100102657272 [0,1,0,0,0,1|2,0,0]=4 2545 B17R2.353364 CNC(=O)NCc1cccc2c1cccn2 512a_106832991638_100020628785 [0,1,0,0,0,1|2,0,0]=4 2546 B17R2.353364 CNC(=O)NCc1cccc2c1ccnc2 2708a_100011757365_106832991635 [0,1,0,0,0,1|2,0,0]=4 2547 B17R2.353364 CNC(=O)NCc1cccc2c1ccnc2 2708a_100102657272_100011757365 [0,1,0,0,0,1|2,0,0]=4 2548 B17R2.353364 CNC(=O)NCc1cccc2c1ccnc2 273464a_100011757365_100102657272 [0,1,0,0,0,1|2,0,0]=4 2549 B17R2.353364 CNC(=O)NCc1cccc2c1ccnc2 273464a_100102657272_100011757365 [0,1,0,0,0,1|2,0,0]=4 2550 B17R2.353364 CNC(=O)NCc1cccc2c1ccnc2 512a_100011757365_100102657272 [0,1,0,0,0,1|2,0,0]=4 2551 B17R2.353364 CNC(=O)NCc1cccc2c1ccnc2 512a_106832991638_100011757365 [0,1,0,0,0,1|2,0,0]=4 2552 B17R2.353364 CNC(=O)NCc1cccc2c1nccc2 2708a_100011195829_106832991635 [0,1,0,0,0,1|2,0,0]=4 2553 B17R2.353364 CNC(=O)NCc1cccc2c1nccc2 2708a_100102657272_100011195829 [0,1,0,0,0,1|2,0,0]=4 2554 B17R2.353364 CNC(=O)NCc1cccc2c1nccc2 273464a_100011195829_100102657272 [0,1,0,0,0,1|2,0,0]=4 2555 B17R2.353364 CNC(=O)NCc1cccc2c1nccc2 273464a_100102657272_100011195829 [0,1,0,0,0,1|2,0,0]=4 2556 B17R2.353364 CNC(=O)NCc1cccc2c1nccc2 512a_100011195829_100102657272 [0,1,0,0,0,1|2,0,0]=4 2557 B17R2.353364 CNC(=O)NCc1cccc2c1nccc2 512a_106832991638_100011195829 [0,1,0,0,0,1|2,0,0]=4 2558 B17R2.353364 CNC(=O)NCc1ccnc2c1cccc2 2708a_100015187208_106832991635 [0,1,0,0,0,1|2,0,0]=4 2559 B17R2.353364 CNC(=O)NCc1ccnc2c1cccc2 2708a_100102657272_100015187208 [0,1,0,0,0,1|2,0,0]=4 2560 B17R2.353364 CNC(=O)NCc1ccnc2c1cccc2 273464a_100015187208_100102657272 [0,1,0,0,0,1|2,0,0]=4 2561 B17R2.353364 CNC(=O)NCc1ccnc2c1cccc2 273464a_100102657272_100015187208 [0,1,0,0,0,1|2,0,0]=4 2562 B17R2.353364 CNC(=O)NCc1ccnc2c1cccc2 512a_100015187208_100102657272 [0,1,0,0,0,1|2,0,0]=4 2563 B17R2.353364 CNC(=O)NCc1ccnc2c1cccc2 512a_106832991638_100015187208 [0,1,0,0,0,1|2,0,0]=4 2564 B17R2.353364 CNC(=O)NCc1nccc2c1cccc2 2708a_100102657272_100000735229 [0,1,0,0,0,1|2,0,0]=4 2565 B17R2.353364 CNC(=O)NCc1nccc2c1cccc2 273464a_100102657272_100000735229 [0,1,0,0,0,1|2,0,0]=4 2566 B17R2.353364 CNC(=O)NCc1nccc2c1cccc2 512a_106832991638_100000735229 [0,1,0,0,0,1|2,0,0]=4 2567 B17R2.353364 CNC(=O)NNc1cccc2c1cccc2 273464a_100102657272_100000006939 [0,1,0,0,0,1|2,0,0]=4 2568 B17R2.353364 CNC(=O)NNc1cccc2c1cccc2 512a_106832991638_100000006939 [0,1,0,0,0,1|2,0,0]=4 2569 B17R2.353364 COC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000747449 [0,1,0,0,0,1|0,0,0]=2 2570 B17R2.353364 COC(=O)CNc1cccc2c1cccn2 34a_100000183906_100000747449 [0,1,0,0,0,1|1,0,0]=3 2571 B17R2.353364 COC(=O)CNc1cccc2c1nccc2 34a_100000181377_100000747449 [0,1,0,0,0,1|1,0,0]=3 2572 B17R2.353364 COC(=O)COc1cccc2c1CC=CC2 34a_100000074931_100000747449 [0,1,0,0,0,1|0,0,2]=4 2573 B17R2.353364 COC(=O)COc1cccc2c1CC=CC2 7a_100000074931_100000747449 [0,1,0,0,0,1|0,0,2]=4 2574 B17R2.353364 COC(=O)COc1cccc2c1cccc2 34a_100000210388_100000747449 [0,1,0,0,0,1|0,0,0]=2 2575 B17R2.353364 COC(=O)COc1cccc2c1cccc2 7a_100000210388_100000747449 [0,1,0,0,0,1|0,0,0]=2 2576 B17R2.353364 COC(=O)COc1cccc2c1cccn2 34a_100011197808_100000747449 [0,1,0,0,0,1|1,0,0]=3 2577 B17R2.353364 COC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000747449 [0,1,0,0,0,1|1,0,0]=3 2578 B17R2.353364 COC(=O)COc1cccc2c1cncc2 34a_103624766955_100000747449 [0,1,0,0,0,1|1,0,0]=3 2579 B17R2.353364 COC(=O)COc1cccc2c1nccc2 34a_100000056035_100000747449 [0,1,0,0,0,1|1,0,0]=3 2580 B17R2.353364 COC(=O)COc1cccc2c1nccn2 34a_100000077048_100000747449 [0,1,0,0,0,1|2,0,0]=4 2581 B17R2.353364 COC(=O)COc1cccc2c1ncnc2 34a_200000077003_100000747449 [0,1,0,0,0,1|2,0,0]=4 2582 B17R2.353364 COC(=O)COc1cncc2c1cccc2 34a_100000066178_100000747449 [0,1,0,0,0,1|1,0,0]=3 2583 B17R2.353364 COC(=O)COc1cncc2c1cccc2 7a_100000066178_100000747449 [0,1,0,0,0,1|1,0,0]=3 2584 B17R2.353364 COC(=O)COc1nccc2c1cccc2 34a_102531767632_100000747449 [0,1,0,0,0,1|1,0,0]=3 2585 B17R2.353364 COC(=O)CSc1cccc2c1cccc2 62a_100000747449_100000210605 [0,1,0,0,0,1|0,0,0]=2 2586 B17R2.353364 COC(=O)CSc1cccc2c1cccn2 62a_100000747449_100011290932 [0,1,0,0,0,1|1,0,0]=3 2587 B17R2.353364 COC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000747449 [0,1,0,0,0,1|1,0,0]=3 2588 B17R2.353364 COC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000747449 [0,1,0,0,0,1|1,0,0]=3 2589 B17R2.353364 COC(=O)CSc1cccc2c1ccnc2 62a_100000747449_100000186358 [0,1,0,0,0,1|1,0,0]=3 2590 B17R2.353364 COC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000747449 [0,1,0,0,0,1|1,0,0]=3 2591 B17R2.353364 COC(=O)CSc1cccc2c1cncc2 62a_100000747449_100000685578 [0,1,0,0,0,1|1,0,0]=3 2592 B17R2.353364 COC(=O)CSc1cccc2c1cncn2 62a_100000747449_100009814520 [0,1,0,0,0,1|2,0,0]=4 2593 B17R2.353364 COC(=O)CSc1cccc2c1cncn2 62a_100009814520_100000747449 [0,1,0,0,0,1|2,0,0]=4 2594 B17R2.353364 COC(=O)CSc1cccc2c1nccc2 62a_100000747449_100011215545 [0,1,0,0,0,1|1,0,0]=3 2595 B17R2.353364 COC(=O)CSc1cccc2c1nccn2 62a_100000747449_100010003881 [0,1,0,0,0,1|2,0,0]=4 2596 B17R2.353364 COC(=O)CSc1cccc2c1nccn2 62a_100010003881_100000747449 [0,1,0,0,0,1|2,0,0]=4 2597 B17R2.353364 COC(=O)CSc1cccc2c1ncnc2 62a_100000747449_100010246313 [0,1,0,0,0,1|2,0,0]=4 2598 B17R2.353364 COC(=O)CSc1cccc2c1ncnc2 62a_100010246313_100000747449 [0,1,0,0,0,1|2,0,0]=4 2599 B17R2.353364 COC(=O)CSc1ccnc2c1cccc2 62a_100000747449_100011215880 [0,1,0,0,0,1|1,0,0]=3 2600 B17R2.353364 COC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747449 [0,1,0,0,0,1|1,0,0]=3 2601 B17R2.353364 COC(=O)CSc1ccnc2c1cccn2 62a_100000087570_100000747449 [0,1,0,0,0,1|2,0,0]=4 2602 B17R2.353364 COC(=O)CSc1ccnc2c1cccn2 62a_100000747449_100000087570 [0,1,0,0,0,1|2,0,0]=4 2603 B17R2.353364 COC(=O)CSc1ccnc2c1cncc2 62a_100000095135_100000747449 [0,1,0,0,0,1|2,0,0]=4 2604 B17R2.353364 COC(=O)CSc1ccnc2c1cncc2 62a_100000747449_100000095135 [0,1,0,0,0,1|2,0,0]=4 2605 B17R2.353364 COC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747449 [0,1,0,0,0,1|1,0,0]=3 2606 B17R2.353364 COC(=O)CSc1cncc2c1cccc2 62a_100000747449_100000187577 [0,1,0,0,0,1|1,0,0]=3 2607 B17R2.353364 COC(=O)CSc1cncc2c1cccn2 62a_100000747449_100010211308 [0,1,0,0,0,1|2,0,0]=4 2608 B17R2.353364 COC(=O)CSc1cncc2c1cccn2 62a_100010211308_100000747449 [0,1,0,0,0,1|2,0,0]=4 2609 B17R2.353364 COC(=O)CSc1cncc2c1ccnc2 62a_100000747449_100010134378 [0,1,0,0,0,1|2,0,0]=4 2610 B17R2.353364 COC(=O)CSc1cncc2c1ccnc2 62a_100010134378_100000747449 [0,1,0,0,0,1|2,0,0]=4 2611 B17R2.353364 COC(=O)CSc1cnnc2c1cccc2 62a_100000747449_100000063506 [0,1,0,0,0,1|2,0,0]=4 2612 B17R2.353364 COC(=O)CSc1nccc2c1cccc2 62a_100000747449_100011934041 [0,1,0,0,0,1|1,0,0]=3 2613 B17R2.353364 COC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747449 [0,1,0,0,0,1|1,0,0]=3 2614 B17R2.353364 COC(=O)CSc1nccc2c1cccn2 62a_100000747449_100000077681 [0,1,0,0,0,1|2,0,0]=4 2615 B17R2.353364 COC(=O)CSc1nccc2c1cncc2 62a_100000747449_100000116921 [0,1,0,0,0,1|2,0,0]=4 2616 B17R2.353364 COC(=O)CSc1nccc2c1cncc2 62a_200010063730_100000747449 [0,1,0,0,0,1|2,0,0]=4 2617 B17R2.353364 COC(=O)CSc1nccc2c1nccc2 62a_100000747449_100010063729 [0,1,0,0,0,1|2,0,0]=4 2618 B17R2.353364 COC(=O)CSc1ncnc2c1cccc2 62a_100000747449_100000217608 [0,1,0,0,0,1|2,0,0]=4 2619 B17R2.353364 COC(=O)CSc1ncnc2c1cccc2 62a_100000753007_100000747449 [0,1,0,0,0,1|2,0,0]=4 2620 B17R2.353364 COC(=O)CSc1nncc2c1cccc2 62a_100000747449_100025712358 [0,1,0,0,0,1|2,0,0]=4 2621 B17R2.353364 COC(C)SCc1cccc2c1cccc2 62a_100009879195_100000188474 [0,1,0,0,0,1|1,0,1]=4 2622 B17R2.353364 COC(C)SCc1cccc2c1cccc2 62a_100011261445_100009879195 [0,1,0,0,0,1|1,0,1]=4 2623 B17R2.353364 C[C@@H](CO)CNc1cccc2c1cccc2 34a_100000185869_100000059175 [0,1,0,0,0,1|1,0,1]=4 2624 B17R2.353364 C[C@@H](CO)COc1cccc2c1cccc2 34a_100000210388_100000059175 [0,1,0,0,0,1|1,0,1]=4 2625 B17R2.353364 C[C@@H](CO)COc1cccc2c1cccc2 7a_100000210388_100000059175 [0,1,0,0,0,1|1,0,1]=4 2626 B17R2.353364 C[C@@H](CO)CSc1cccc2c1cccc2 62a_100000059175_100000210605 [0,1,0,0,0,1|1,0,1]=4 2627 B17R2.353364 C[C@H](CO)NCc1cccc2c1cccc2 207a_100000737577_100000210074 [0,1,0,0,0,1|1,0,1]=4 2628 B17R2.353364 C[C@H](CO)NCc1cccc2c1cccc2 2230a_100000737577_100011261445 [0,1,0,0,0,1|1,0,1]=4 2629 B17R2.353364 C[C@H](CO)NCc1cccc2c1cccc2 270004a_100000737577_100000210074 [0,1,0,0,0,1|1,0,1]=4 2630 B17R2.353364 C[C@H](CO)SCc1cccc2c1cccc2 62a_100011261445_100016084084 [0,1,0,0,0,1|1,0,1]=4 2631 B17R2.353364 C[C@H](CO)SCc1cccc2c1cccc2 62a_100016084084_100000188474 [0,1,0,0,0,1|1,0,1]=4 2632 B17R2.353364 O=C(C=Cc1cccc2c1cccc2)CF 1458a_100000735324_100015361967 [0,1,0,0,0,1|1,0,1]=4 2633 B17R2.353364 O=C(CF)CCc1cccc2c1cccc2 1458a_100011218451_100015361967 [0,1,0,0,0,1|1,0,0]=3 2634 B17R2.353364 O=C(CF)COc1cccc2c1cccc2 1458a_100000183701_100015361967 [0,1,0,0,0,1|1,0,0]=3 2635 B17R2.353364 O=C(CF)COc1cccc2c1nccc2 1458a_100000182336_100015361967 [0,1,0,0,0,1|2,0,0]=4 2636 B17R2.353364 O=C(CO)CCc1cccc2c1cccc2 1458a_100000210174_100011290781 [0,1,0,0,0,1|0,0,0]=2 2637 B17R2.353364 O=C(CO)NCc1cccc2c1cccc2 240690a_100000753325_100000210174 [0,1,0,0,0,1|0,0,0]=2 2638 B17R2.353364 O=C(CO)NCc1cccc2c1cccc2 527a_100000753325_100000210174 [0,1,0,0,0,1|0,0,0]=2 2639 B17R2.353364 O=C(CO)NCc1cccc2c1cccn2 240690a_100020628785_100000210174 [0,1,0,0,0,1|1,0,0]=3 2640 B17R2.353364 O=C(CO)NCc1cccc2c1cccn2 527a_100020628785_100000210174 [0,1,0,0,0,1|1,0,0]=3 2641 B17R2.353364 O=C(CO)NCc1cccc2c1ccnc2 240690a_100011757365_100000210174 [0,1,0,0,0,1|1,0,0]=3 2642 B17R2.353364 O=C(CO)NCc1cccc2c1ccnc2 527a_100011757365_100000210174 [0,1,0,0,0,1|1,0,0]=3 2643 B17R2.353364 O=C(CO)NCc1cccc2c1nccc2 240690a_100011195829_100000210174 [0,1,0,0,0,1|1,0,0]=3 2644 B17R2.353364 O=C(CO)NCc1cccc2c1nccc2 527a_100011195829_100000210174 [0,1,0,0,0,1|1,0,0]=3 2645 B17R2.353364 O=C(CO)NCc1cccc2c1nccn2 240690a_100012184304_100000210174 [0,1,0,0,0,1|2,0,0]=4 2646 B17R2.353364 O=C(CO)NCc1cccc2c1nccn2 527a_100012184304_100000210174 [0,1,0,0,0,1|2,0,0]=4 2647 B17R2.353364 O=C(CO)NCc1ccnc2c1cccc2 240690a_100015187208_100000210174 [0,1,0,0,0,1|1,0,0]=3 2648 B17R2.353364 O=C(CO)NCc1ccnc2c1cccc2 527a_100015187208_100000210174 [0,1,0,0,0,1|1,0,0]=3 2649 B17R2.353364 O=C(CO)NCc1nccc2c1cccc2 240690a_100000735229_100000210174 [0,1,0,0,0,1|1,0,0]=3 2650 B17R2.353364 O=C(CO)NCc1nccc2c1cccc2 527a_100000735229_100000210174 [0,1,0,0,0,1|1,0,0]=3 2651 B17R2.353364 O=C(CO)NNc1cccc2c1cccc2 22a_100000006939_100000210174 [0,1,0,0,0,1|1,0,0]=3 2652 B17R2.353364 O=C(CO)NNc1cccc2c1ccnc2 22a_100000716453_100000210174 [0,1,0,0,0,1|2,0,0]=4 2653 B17R2.353364 O=C(CO)NNc1cccc2c1nccc2 22a_100015200115_100000210174 [0,1,0,0,0,1|2,0,0]=4 2654 B17R2.353364 O=C(CO)NNc1ccnc2c1cccc2 22a_100020605206_100000210174 [0,1,0,0,0,1|2,0,0]=4 2655 B17R2.353364 O=C(CO)NNc1nccc2c1cccc2 22a_100015186920_100000210174 [0,1,0,0,0,1|2,0,0]=4 2656 B17R2.353364 OCC(O)CNc1cccc2c1cccc2 34a_100000185869_100011219619 [0,1,0,0,0,1|0,0,2]=4 2657 B17R2.353364 OCC(O)COc1cccc2c1cccc2 34a_100000210388_100011219619 [0,1,0,0,0,1|0,0,2]=4 2658 B17R2.353364 OCC(O)COc1cccc2c1cccc2 7a_100000210388_100011219619 [0,1,0,0,0,1|0,0,2]=4 2659 B17R2.353364 OCC(O)CSc1cccc2c1cccc2 62a_100011219619_100000210605 [0,1,0,0,0,1|0,0,2]=4 2660 B17R2.353364 OC[C@H](O)CNc1cccc2c1cccc2 34a_100000185869_100009815848 [0,1,0,0,0,1|0,0,2]=4 2661 B17R2.353364 OC[C@H](O)COc1cccc2c1cccc2 34a_100000210388_100009815848 [0,1,0,0,0,1|0,0,2]=4 2662 B17R2.353364 OC[C@H](O)COc1cccc2c1cccc2 7a_100000210388_100009815848 [0,1,0,0,0,1|0,0,2]=4 2663 B17R2.353364 OC[C@H](O)CSc1cccc2c1cccc2 62a_100009815848_100000210605 [0,1,0,0,0,1|0,0,2]=4 2664 B17R2.353364 O[C@@H](CF)CNc1cccc2c1cccc2 34a_100000185869_100015614560 [0,1,0,0,0,1|1,0,1]=4 2665 B17R2.353364 O[C@@H](CF)COc1cccc2c1cccc2 34a_100000210388_100015614560 [0,1,0,0,0,1|1,0,1]=4 2666 B17R2.353364 O[C@@H](CF)COc1cccc2c1cccc2 7a_100000210388_100015614560 [0,1,0,0,0,1|1,0,1]=4 2667 B17R2.353364 O[C@@H](CF)CSc1cccc2c1cccc2 62a_100015614560_100000210605 [0,1,0,0,0,1|1,0,1]=4 2668 B17R2.520754 C=C(C)C(=O)Cc1cccc2c1cccc2 1458a_100000185857_100000188474 [0,1,0,0,0,1|2,0,0]=4 2669 B17R2.520754 CC(=O)C(C)Oc1cccc2c1cccc2 1458a_100000216494_200000210301 [0,1,0,0,0,1|1,0,0]=3 2670 B17R2.520754 CC(=O)C(C)Oc1cccc2c1cccc2 7a_100000210388_100000179758 [0,1,0,0,0,1|1,0,0]=3 2671 B17R2.520754 CC(=O)C(C)Oc1cncc2c1cccc2 7a_100000066178_100000179758 [0,1,0,0,0,1|2,0,0]=4 2672 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cccc2 62a_100009814033_100000210605 [0,1,0,0,0,1|1,0,0]=3 2673 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cccn2 62a_100009814033_100011290932 [0,1,0,0,0,1|2,0,0]=4 2674 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cccn2 62a_100011290932_100009814033 [0,1,0,0,0,1|2,0,0]=4 2675 B17R2.520754 CC(=O)C(C)Sc1cccc2c1ccnc2 62a_100000186358_100009814033 [0,1,0,0,0,1|2,0,0]=4 2676 B17R2.520754 CC(=O)C(C)Sc1cccc2c1ccnc2 62a_100009814033_100000186358 [0,1,0,0,0,1|2,0,0]=4 2677 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cncc2 62a_100000685578_100009814033 [0,1,0,0,0,1|2,0,0]=4 2678 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cncc2 62a_100009814033_100000685578 [0,1,0,0,0,1|2,0,0]=4 2679 B17R2.520754 CC(=O)C(C)Sc1cccc2c1nccc2 62a_100009814033_100011215545 [0,1,0,0,0,1|2,0,0]=4 2680 B17R2.520754 CC(=O)C(C)Sc1ccnc2c1cccc2 62a_100009814033_100011215880 [0,1,0,0,0,1|2,0,0]=4 2681 B17R2.520754 CC(=O)C(C)Sc1ccnc2c1cccc2 62a_100011458314_100009814033 [0,1,0,0,0,1|2,0,0]=4 2682 B17R2.520754 CC(=O)C(C)Sc1cncc2c1cccc2 62a_100000187577_100009814033 [0,1,0,0,0,1|2,0,0]=4 2683 B17R2.520754 CC(=O)C(C)Sc1cncc2c1cccc2 62a_100009814033_100000187577 [0,1,0,0,0,1|2,0,0]=4 2684 B17R2.520754 CC(=O)C(C)Sc1nccc2c1cccc2 62a_100009814033_100011934041 [0,1,0,0,0,1|2,0,0]=4 2685 B17R2.520754 CC(=O)C(C)Sc1nccc2c1cccc2 62a_100011934041_100009814033 [0,1,0,0,0,1|2,0,0]=4 2686 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccc2 11a_100000741213_100015343762 [0,1,0,0,0,1|1,0,0]=3 2687 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccc2 240690a_100000741213_100015343762 [0,1,0,0,0,1|1,0,0]=3 2688 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccc2 527a_100000741213_100103153847 [0,1,0,0,0,1|1,0,0]=3 2689 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccn2 11a_100011647598_100015343762 [0,1,0,0,0,1|2,0,0]=4 2690 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccn2 240690a_100011647598_100015343762 [0,1,0,0,0,1|2,0,0]=4 2691 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccn2 527a_100011647598_100103153847 [0,1,0,0,0,1|2,0,0]=4 2692 B17R2.520754 CC(=O)N(C)Cc1cccc2c1ccnc2 11a_100011757366_100015343762 [0,1,0,0,0,1|2,0,0]=4 2693 B17R2.520754 CC(=O)N(C)Cc1cccc2c1ccnc2 240690a_100011757366_100015343762 [0,1,0,0,0,1|2,0,0]=4 2694 B17R2.520754 CC(=O)N(C)Cc1cccc2c1ccnc2 527a_100011757366_100103153847 [0,1,0,0,0,1|2,0,0]=4 2695 B17R2.520754 CC(=O)N(C)Cc1cccc2c1nccc2 11a_102515433035_100015343762 [0,1,0,0,0,1|2,0,0]=4 2696 B17R2.520754 CC(=O)N(C)Cc1cccc2c1nccc2 240690a_102515433035_100015343762 [0,1,0,0,0,1|2,0,0]=4 2697 B17R2.520754 CC(=O)N(C)Cc1cccc2c1nccc2 527a_102515433035_100103153847 [0,1,0,0,0,1|2,0,0]=4 2698 B17R2.520754 CC(=O)N(C)Cc1ccnc2c1cccc2 240690a_100011649695_100015343762 [0,1,0,0,0,1|2,0,0]=4 2699 B17R2.520754 CC(=O)N(C)Cc1ccnc2c1cccc2 527a_100011649695_100103153847 [0,1,0,0,0,1|2,0,0]=4 2700 B17R2.520754 CC(=O)N(C)Cc1cncc2c1cccc2 11a_114948179032_100015343762 [0,1,0,0,0,1|2,0,0]=4 2701 B17R2.520754 CC(=O)N(C)Cc1cncc2c1cccc2 240690a_114948179032_100015343762 [0,1,0,0,0,1|2,0,0]=4 2702 B17R2.520754 CC(=O)N(C)Cc1cncc2c1cccc2 527a_114948179032_100103153847 [0,1,0,0,0,1|2,0,0]=4 2703 B17R2.520754 CC(Nc1cccc2c1cccc2)C(=O)N 34a_100000185869_100000702099 [0,1,0,0,0,1|1,0,0]=3 2704 B17R2.520754 CC(Nc1cccc2c1cccn2)C(=O)N 34a_100000183906_100000702099 [0,1,0,0,0,1|2,0,0]=4 2705 B17R2.520754 CC(Nc1cccc2c1nccc2)C(=O)N 34a_100000181377_100000702099 [0,1,0,0,0,1|2,0,0]=4 2706 B17R2.520754 CC(Oc1cccc2c1cccc2)C(=O)N 34a_100000210388_100000702099 [0,1,0,0,0,1|1,0,0]=3 2707 B17R2.520754 CC(Oc1cccc2c1cccc2)C(=O)N 7a_100000210388_100000702099 [0,1,0,0,0,1|1,0,0]=3 2708 B17R2.520754 CC(Oc1cccc2c1cccc2)C(=O)[13CH3] 1458a_100000216494_200025704644 [0,1,0,0,0,1|1,0,0]=3 2709 B17R2.520754 CC(Oc1cccc2c1cccn2)C(=O)N 34a_100011197808_100000702099 [0,1,0,0,0,1|2,0,0]=4 2710 B17R2.520754 CC(Oc1cccc2c1ccnc2)C(=O)N 34a_100011218533_100000702099 [0,1,0,0,0,1|2,0,0]=4 2711 B17R2.520754 CC(Oc1cccc2c1cncc2)C(=O)N 34a_103624766955_100000702099 [0,1,0,0,0,1|2,0,0]=4 2712 B17R2.520754 CC(Oc1cccc2c1nccc2)C(=O)N 34a_100000056035_100000702099 [0,1,0,0,0,1|2,0,0]=4 2713 B17R2.520754 CC(Oc1cncc2c1cccc2)C(=O)N 34a_100000066178_100000702099 [0,1,0,0,0,1|2,0,0]=4 2714 B17R2.520754 CC(Oc1cncc2c1cccc2)C(=O)N 7a_100000066178_100000702099 [0,1,0,0,0,1|2,0,0]=4 2715 B17R2.520754 CC(Oc1nccc2c1cccc2)C(=O)N 34a_102531767632_100000702099 [0,1,0,0,0,1|2,0,0]=4 2716 B17R2.520754 CC(Sc1cccc2c1cccc2)C(=O)N 62a_100000702099_100000210605 [0,1,0,0,0,1|1,0,0]=3 2717 B17R2.520754 CC(Sc1cccc2c1cccn2)C(=O)N 62a_100000702099_100011290932 [0,1,0,0,0,1|2,0,0]=4 2718 B17R2.520754 CC(Sc1cccc2c1cccn2)C(=O)N 62a_100011290932_100000702099 [0,1,0,0,0,1|2,0,0]=4 2719 B17R2.520754 CC(Sc1cccc2c1ccnc2)C(=O)N 62a_100000186358_100000702099 [0,1,0,0,0,1|2,0,0]=4 2720 B17R2.520754 CC(Sc1cccc2c1ccnc2)C(=O)N 62a_100000702099_100000186358 [0,1,0,0,0,1|2,0,0]=4 2721 B17R2.520754 CC(Sc1cccc2c1cncc2)C(=O)N 62a_100000685578_100000702099 [0,1,0,0,0,1|2,0,0]=4 2722 B17R2.520754 CC(Sc1cccc2c1cncc2)C(=O)N 62a_100000702099_100000685578 [0,1,0,0,0,1|2,0,0]=4 2723 B17R2.520754 CC(Sc1cccc2c1nccc2)C(=O)N 62a_100000702099_100011215545 [0,1,0,0,0,1|2,0,0]=4 2724 B17R2.520754 CC(Sc1ccnc2c1cccc2)C(=O)N 62a_100000702099_100011215880 [0,1,0,0,0,1|2,0,0]=4 2725 B17R2.520754 CC(Sc1ccnc2c1cccc2)C(=O)N 62a_100011458314_100000702099 [0,1,0,0,0,1|2,0,0]=4 2726 B17R2.520754 CC(Sc1cncc2c1cccc2)C(=O)N 62a_100000187577_100000702099 [0,1,0,0,0,1|2,0,0]=4 2727 B17R2.520754 CC(Sc1cncc2c1cccc2)C(=O)N 62a_100000702099_100000187577 [0,1,0,0,0,1|2,0,0]=4 2728 B17R2.520754 CC(Sc1nccc2c1cccc2)C(=O)N 62a_100000702099_100011934041 [0,1,0,0,0,1|2,0,0]=4 2729 B17R2.520754 CC(Sc1nccc2c1cccc2)C(=O)N 62a_100011934041_100000702099 [0,1,0,0,0,1|2,0,0]=4 2730 B17R2.520754 C[C@@H](Nc1cccc2c1cccn2)C(=O)N 27a_100000119354_100011290932 [0,1,0,0,0,1|2,0,0]=4 2731 B17R2.520754 C[C@@H](Nc1ccnc2c1cccc2)C(=O)N 27a_100000119354_100011215880 [0,1,0,0,0,1|2,0,0]=4 2732 B17R2.520754 C[C@@H](Nc1nccc2c1cccc2)C(=O)N 27a_100000119354_100011934041 [0,1,0,0,0,1|2,0,0]=4 2733 B17R2.520754 C[C@@H](O)C(=O)Cc1cccc2c1cccc2 1458a_100000717761_100000188474 [0,1,0,0,0,1|1,0,1]=4 2734 B17R2.520754 C[C@H](O)C(=O)Cc1cccc2c1cccc2 1458a_217856618621_100000188474 [0,1,0,0,0,1|1,0,1]=4 2735 B17R2.520754 NC(=O)C(=O)Nc1cccc2c1cccc2 22a_100000185869_100011215815 [0,1,0,0,0,1|1,0,1]=4 2736 B17R2.520754 NC(=O)C(F)Nc1cccc2c1cccc2 34a_100000185869_100009813875 [0,1,0,0,0,1|1,0,0]=3 2737 B17R2.520754 NC(=O)C(F)Nc1cccc2c1cccn2 34a_100000183906_100009813875 [0,1,0,0,0,1|2,0,0]=4 2738 B17R2.520754 NC(=O)C(F)Nc1cccc2c1nccc2 34a_100000181377_100009813875 [0,1,0,0,0,1|2,0,0]=4 2739 B17R2.520754 NC(=O)C(F)Oc1cccc2c1cccc2 34a_100000210388_100009813875 [0,1,0,0,0,1|1,0,0]=3 2740 B17R2.520754 NC(=O)C(F)Oc1cccc2c1cccc2 7a_100000210388_100009813875 [0,1,0,0,0,1|1,0,0]=3 2741 B17R2.520754 NC(=O)C(F)Oc1cccc2c1cccn2 34a_100011197808_100009813875 [0,1,0,0,0,1|2,0,0]=4 2742 B17R2.520754 NC(=O)C(F)Oc1cccc2c1ccnc2 34a_100011218533_100009813875 [0,1,0,0,0,1|2,0,0]=4 2743 B17R2.520754 NC(=O)C(F)Oc1cccc2c1cncc2 34a_103624766955_100009813875 [0,1,0,0,0,1|2,0,0]=4 2744 B17R2.520754 NC(=O)C(F)Oc1cccc2c1nccc2 34a_100000056035_100009813875 [0,1,0,0,0,1|2,0,0]=4 2745 B17R2.520754 NC(=O)C(F)Oc1cncc2c1cccc2 34a_100000066178_100009813875 [0,1,0,0,0,1|2,0,0]=4 2746 B17R2.520754 NC(=O)C(F)Oc1cncc2c1cccc2 7a_100000066178_100009813875 [0,1,0,0,0,1|2,0,0]=4 2747 B17R2.520754 NC(=O)C(F)Oc1nccc2c1cccc2 34a_102531767632_100009813875 [0,1,0,0,0,1|2,0,0]=4 2748 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cccc2 62a_100009813875_100000210605 [0,1,0,0,0,1|1,0,0]=3 2749 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cccn2 62a_100009813875_100011290932 [0,1,0,0,0,1|2,0,0]=4 2750 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cccn2 62a_100011290932_100009813875 [0,1,0,0,0,1|2,0,0]=4 2751 B17R2.520754 NC(=O)C(F)Sc1cccc2c1ccnc2 62a_100000186358_100009813875 [0,1,0,0,0,1|2,0,0]=4 2752 B17R2.520754 NC(=O)C(F)Sc1cccc2c1ccnc2 62a_100009813875_100000186358 [0,1,0,0,0,1|2,0,0]=4 2753 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cncc2 62a_100000685578_100009813875 [0,1,0,0,0,1|2,0,0]=4 2754 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cncc2 62a_100009813875_100000685578 [0,1,0,0,0,1|2,0,0]=4 2755 B17R2.520754 NC(=O)C(F)Sc1cccc2c1nccc2 62a_100009813875_100011215545 [0,1,0,0,0,1|2,0,0]=4 2756 B17R2.520754 NC(=O)C(F)Sc1ccnc2c1cccc2 62a_100009813875_100011215880 [0,1,0,0,0,1|2,0,0]=4 2757 B17R2.520754 NC(=O)C(F)Sc1ccnc2c1cccc2 62a_100011458314_100009813875 [0,1,0,0,0,1|2,0,0]=4 2758 B17R2.520754 NC(=O)C(F)Sc1cncc2c1cccc2 62a_100000187577_100009813875 [0,1,0,0,0,1|2,0,0]=4 2759 B17R2.520754 NC(=O)C(F)Sc1cncc2c1cccc2 62a_100009813875_100000187577 [0,1,0,0,0,1|2,0,0]=4 2760 B17R2.520754 NC(=O)C(F)Sc1nccc2c1cccc2 62a_100009813875_100011934041 [0,1,0,0,0,1|2,0,0]=4 2761 B17R2.520754 NC(=O)C(F)Sc1nccc2c1cccc2 62a_100011934041_100009813875 [0,1,0,0,0,1|2,0,0]=4 2762 B17R2.520754 O=C(Cc1cccc2c1cccc2)C(O)O 1458a_100000233687_100000188474 [0,1,0,0,0,1|0,0,2]=4 2763 B17R2.520754 O=C([O-])C(F)Nc1cccc2c1cccc2 34a_100000185869_100020610796 [0,1,0,0,0,1|0,0,1]=3 2764 B17R2.520754 O=C([O-])C(F)Nc1cccc2c1cccn2 34a_100000183906_100020610796 [0,1,0,0,0,1|1,0,1]=4 2765 B17R2.520754 O=C([O-])C(F)Nc1cccc2c1nccc2 34a_100000181377_100020610796 [0,1,0,0,0,1|1,0,1]=4 2766 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1cccc2 34a_100000210388_100020610796 [0,1,0,0,0,1|0,0,1]=3 2767 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1cccn2 34a_100011197808_100020610796 [0,1,0,0,0,1|1,0,1]=4 2768 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1ccnc2 34a_100011218533_100020610796 [0,1,0,0,0,1|1,0,1]=4 2769 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1cncc2 34a_103624766955_100020610796 [0,1,0,0,0,1|1,0,1]=4 2770 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1nccc2 34a_100000056035_100020610796 [0,1,0,0,0,1|1,0,1]=4 2771 B17R2.520754 O=C([O-])C(F)Oc1cncc2c1cccc2 34a_100000066178_100020610796 [0,1,0,0,0,1|1,0,1]=4 2772 B17R2.520754 O=C([O-])C(F)Oc1nccc2c1cccc2 34a_102531767632_100020610796 [0,1,0,0,0,1|1,0,1]=4 2773 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cccc2 62a_100020610796_100000210605 [0,1,0,0,0,1|0,0,1]=3 2774 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cccn2 62a_100011290932_100020610796 [0,1,0,0,0,1|1,0,1]=4 2775 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cccn2 62a_100020610796_100011290932 [0,1,0,0,0,1|1,0,1]=4 2776 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1ccnc2 62a_100000186358_100020610796 [0,1,0,0,0,1|1,0,1]=4 2777 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1ccnc2 62a_100020610796_100000186358 [0,1,0,0,0,1|1,0,1]=4 2778 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cncc2 62a_100000685578_100020610796 [0,1,0,0,0,1|1,0,1]=4 2779 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cncc2 62a_100020610796_100000685578 [0,1,0,0,0,1|1,0,1]=4 2780 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1nccc2 62a_100020610796_100011215545 [0,1,0,0,0,1|1,0,1]=4 2781 B17R2.520754 O=C([O-])C(F)Sc1ccnc2c1cccc2 62a_100011458314_100020610796 [0,1,0,0,0,1|1,0,1]=4 2782 B17R2.520754 O=C([O-])C(F)Sc1ccnc2c1cccc2 62a_100020610796_100011215880 [0,1,0,0,0,1|1,0,1]=4 2783 B17R2.520754 O=C([O-])C(F)Sc1cncc2c1cccc2 62a_100000187577_100020610796 [0,1,0,0,0,1|1,0,1]=4 2784 B17R2.520754 O=C([O-])C(F)Sc1cncc2c1cccc2 62a_100020610796_100000187577 [0,1,0,0,0,1|1,0,1]=4 2785 B17R2.520754 O=C([O-])C(F)Sc1nccc2c1cccc2 62a_100011934041_100020610796 [0,1,0,0,0,1|1,0,1]=4 2786 B17R2.520754 O=C([O-])C(F)Sc1nccc2c1cccc2 62a_100020610796_100011934041 [0,1,0,0,0,1|1,0,1]=4 2787 B17R2.533832 CC(C)(O)CNc1cccc2c1cccc2 34a_100000185869_100000764493 [0,1,0,0,0,1|1,0,1]=4 2788 B17R2.533832 CC(C)(O)COc1cccc2c1cccc2 34a_100000210388_100000764493 [0,1,0,0,0,1|1,0,1]=4 2789 B17R2.533832 CC(C)(O)COc1cccc2c1cccc2 7a_100000210388_100000764493 [0,1,0,0,0,1|1,0,1]=4 2790 B17R2.533832 CC(C)(O)CSc1cccc2c1cccc2 62a_100000764493_100000210605 [0,1,0,0,0,1|1,0,1]=4 2791 B17R2.533832 CS(=O)(=O)NCc1cccc2c1cccc2 40a_100000753325_100000738038 [0,1,0,0,0,1|1,0,1]=4 2792 B17R2.533832 NS(=O)(=O)CSc1cccc2c1cccc2 62a_100000741382_100000210605 [0,1,0,0,0,1|1,0,1]=4 2793 B17R2.533832 O=S(=O)([O-])CNc1cccc2c1cccc2 34a_100000185869_100009817235 [0,1,0,0,0,1|1,0,1]=4 2794 B17R2.533832 O=S(=O)([O-])COc1cccc2c1cccc2 34a_100000210388_100009817235 [0,1,0,0,0,1|1,0,1]=4 2795 B17R2.533832 O=S(=O)([O-])CSc1cccc2c1cccc2 62a_100009817235_100000210605 [0,1,0,0,0,1|1,0,1]=4 2796 B17R2.712041 C=C(C)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100000748629 [0,1,0,0,0,1|2,0,0]=4 2797 B17R2.712041 C=C(C)CN(C)c1cccc2c1cccc2 2230a_100000220138_100000748629 [0,1,0,0,0,1|2,0,0]=4 2798 B17R2.712041 C=C(C)CN(C)c1cccc2c1cccc2 269982a_100000220138_100000748629 [0,1,0,0,0,1|2,0,0]=4 2799 B17R2.712041 C=C(C)CN(C)c1cccc2c1cccc2 34a_100000220138_100000748629 [0,1,0,0,0,1|2,0,0]=4 2800 B17R2.712041 C=C(F)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100009893438 [0,1,0,0,0,1|2,0,0]=4 2801 B17R2.712041 C=C(F)CN(C)c1cccc2c1cccc2 2230a_100000220138_100009893438 [0,1,0,0,0,1|2,0,0]=4 2802 B17R2.712041 C=C(F)CN(C)c1cccc2c1cccc2 269982a_100000220138_100009893438 [0,1,0,0,0,1|2,0,0]=4 2803 B17R2.712041 C=C(F)CN(C)c1cccc2c1cccc2 34a_100000220138_100009893438 [0,1,0,0,0,1|2,0,0]=4 2804 B17R2.712041 CC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000070787_100000211450 [0,1,0,0,0,1|1,0,0]=3 2805 B17R2.712041 CC(=O)N[C@@H](C)c1cccc2c1cccc2 11a_100011830313_100015343762 [0,1,0,0,0,1|1,0,0]=3 2806 B17R2.712041 CC(=O)N[C@@H](C)c1cccc2c1cccc2 1626a_100011830313_100015343762 [0,1,0,0,0,1|1,0,0]=3 2807 B17R2.712041 CC(=O)N[C@@H](C)c1cccc2c1cccc2 240690a_100011830313_100015343762 [0,1,0,0,0,1|1,0,0]=3 2808 B17R2.712041 CC(=O)N[C@@H](C)c1cccc2c1cccc2 527a_100011830313_100103153847 [0,1,0,0,0,1|1,0,0]=3 2809 B17R2.712041 CC(O)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100011218427 [0,1,0,0,0,1|1,0,1]=4 2810 B17R2.712041 CC(O)CN(C)c1cccc2c1cccc2 2230a_100000220138_100011218427 [0,1,0,0,0,1|1,0,1]=4 2811 B17R2.712041 CC(O)CN(C)c1cccc2c1cccc2 269982a_100000220138_100011218427 [0,1,0,0,0,1|1,0,1]=4 2812 B17R2.712041 CC(O)CN(C)c1cccc2c1cccc2 34a_100000220138_100011218427 [0,1,0,0,0,1|1,0,1]=4 2813 B17R2.712041 CN(CC(=O)N)c1cccc2c1cccc2 2230a_100000220138_100000747473 [0,1,0,0,0,1|1,0,0]=3 2814 B17R2.712041 CN(CC(=O)N)c1cccc2c1cccc2 269982a_100000220138_100000187820 [0,1,0,0,0,1|1,0,0]=3 2815 B17R2.712041 CN(CC(=O)N)c1cccc2c1cccc2 34a_100000220138_100000187820 [0,1,0,0,0,1|1,0,0]=3 2816 B17R2.712041 CN(CC(=O)N)c1cccc2c1cccn2 27a_100000739694_100011290932 [0,1,0,0,0,1|2,0,0]=4 2817 B17R2.712041 CN(CC(=O)N)c1ccnc2c1cccc2 27a_100000739694_100011215880 [0,1,0,0,0,1|2,0,0]=4 2818 B17R2.712041 CN(CC(=O)N)c1nccc2c1cccc2 27a_100000739694_100011934041 [0,1,0,0,0,1|2,0,0]=4 2819 B17R2.712041 CN(CC(=O)[O-])c1cccc2c1cccc2 269982a_100000220138_100020667443 [0,1,0,0,0,1|0,0,1]=3 2820 B17R2.712041 CN(CC(=O)[O-])c1cccc2c1cccc2 34a_100000220138_100020667443 [0,1,0,0,0,1|0,0,1]=3 2821 B17R2.712041 CN(C[N+](=O)[O-])c1cccc2c1cccc2 269982a_100000220138_100000761209 [0,1,0,0,0,1|1,0,1]=4 2822 B17R2.712041 CN(C[N+](=O)[O-])c1cccc2c1cccc2 34a_100000220138_100000761209 [0,1,0,0,0,1|1,0,1]=4 2823 B17R2.712041 C[C@@H](O)CN(C)c1cccc2c1cccc2 2230a_100000220138_100009817552 [0,1,0,0,0,1|1,0,1]=4 2824 B17R2.712041 C[C@@H](O)CN(C)c1cccc2c1cccc2 269982a_100000220138_100009817552 [0,1,0,0,0,1|1,0,1]=4 2825 B17R2.712041 C[C@@H](O)CN(C)c1cccc2c1cccc2 34a_100000220138_100009817552 [0,1,0,0,0,1|1,0,1]=4 2826 B17R2.712041 NC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100000187820 [0,1,0,0,0,1|1,0,0]=3 2827 B17R2.712041 NC(=O)CC(=O)c1cccc2c1cccn2 1458a_100000241005_100000187820 [0,1,0,0,0,1|2,0,0]=4 2828 B17R2.712041 NC(=O)CC(=O)c1cccc2c1ccnc2 1458a_100011290933_100000187820 [0,1,0,0,0,1|2,0,0]=4 2829 B17R2.712041 NC(=O)CC(=O)c1cccc2c1cncc2 1458a_100011356482_100000187820 [0,1,0,0,0,1|2,0,0]=4 2830 B17R2.712041 NC(=O)CC(=O)c1cccc2c1nccc2 1458a_100000195423_100000187820 [0,1,0,0,0,1|2,0,0]=4 2831 B17R2.712041 O=C(C[N+](=O)[O-])c1cccc2c1cccc2 1458a_100000210949_100000761209 [0,1,0,0,0,1|1,0,1]=4 2832 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1cccc2 1458a_100000210949_100020667443 [0,1,0,0,0,1|0,0,1]=3 2833 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1cccn2 1458a_100000241005_100020667443 [0,1,0,0,0,1|1,0,1]=4 2834 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1ccnc2 1458a_100011290933_100020667443 [0,1,0,0,0,1|1,0,1]=4 2835 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1cncc2 1458a_100011356482_100020667443 [0,1,0,0,0,1|1,0,1]=4 2836 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1nccc2 1458a_100000195423_100020667443 [0,1,0,0,0,1|1,0,1]=4 2837 B17R2.1989 CC(=O)Nc1c(ccc2c1cccc2)C#N 11a_100012017255_100015343762 [0,2,0,0,0,0|2,0,0]=4 2838 B17R2.1989 CC(=O)Nc1c(ccc2c1cccc2)C#N 1626a_100012017255_100015343762 [0,2,0,0,0,0|2,0,0]=4 2839 B17R2.1989 COc1ccc2ccccc2c1NC(=O)C 11a_100009884440_100015343762 [0,2,0,0,0,0|2,0,0]=4 2840 B17R2.1989 COc1ccc2ccccc2c1NC(=O)C 1626a_100009884440_100015343762 [0,2,0,0,0,0|2,0,0]=4 2841 B17R2.1989 COc1ccc2ccccc2c1NC(=O)C 22a_100009884440_100000070787 [0,2,0,0,0,0|2,0,0]=4 2842 B17R2.5384 CC(=O)C(O)c1c(ccc2c1cccc2)O 1458a_100000068390_200000210301 [0,2,0,0,0,0|1,0,0]=3 2843 B17R2.5384 [13CH3]C(=O)C(O)c1c(ccc2c1cccc2)O 1458a_100000068390_200025704644 [0,2,0,0,0,0|1,0,0]=3 2844 B17R2.38283 CC(=O)Cn1c(=O)cc(c2c1cccc2)C 1458a_200000027774_200000210301 [0,2,0,0,0,0|2,0,0]=4 2845 B17R2.38283 CC(=O)Nc1c(cc(c2c1cccc2)Br)Br 1626a_100012339475_100015343762 [0,2,0,0,0,0|2,0,0]=4 2846 B17R2.38283 CC(=O)Nc1c(cc(c2c1cccc2)Cl)Cl 1626a_100010097187_100015343762 [0,2,0,0,0,0|2,0,0]=4 2847 B17R2.38283 Cc1cc(=O)n(c2c1cccc2)CC(=O)[13CH3] 1458a_200000027774_200025704644 [0,2,0,0,0,0|2,0,0]=4 2848 B17R2.350730 C#CC(=O)Cc1c(ccc2c1cccc2)C 1458a_100000211873_100000689653 [0,2,0,0,0,0|1,0,0]=3 2849 B17R2.350730 C=CC(=O)Cc1c(ccc2c1cccc2)C 1458a_100000185746_100000689653 [0,2,0,0,0,0|1,0,0]=3 2850 B17R2.350730 C=CC(=O)Nc1c(ccc2c1cccc2)Br 1626a_100009817101_100000185746 [0,2,0,0,0,0|2,0,0]=4 2851 B17R2.350730 C=CC(=O)Nc1c(ccc2c1cccc2)C 1626a_100000688109_100000185746 [0,2,0,0,0,0|2,0,0]=4 2852 B17R2.350730 C=CC(=O)Nc1c(ccc2c1cccc2)C 22a_100000688109_100000185746 [0,2,0,0,0,0|2,0,0]=4 2853 B17R2.350730 C=CC(=O)Nc1c(ccc2c1cccc2)Cl 1626a_200009860907_100000185746 [0,2,0,0,0,0|2,0,0]=4 2854 B17R2.350730 C=CC(=O)Nc1c(ccc2c1cccc2)O 22a_100000007056_100000185746 [0,2,0,0,0,0|2,0,0]=4 2855 B17R2.350730 CCC(=O)Cc1c(ccc2c1cccc2)C 1458a_100000210414_100000689653 [0,2,0,0,0,0|1,0,0]=3 2856 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)Br 11a_100009817101_100000210414 [0,2,0,0,0,0|2,0,0]=4 2857 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)Br 1626a_100009817101_100000210414 [0,2,0,0,0,0|2,0,0]=4 2858 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)C 11a_100000688109_100000210414 [0,2,0,0,0,0|2,0,0]=4 2859 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)C 1626a_100000688109_100000210414 [0,2,0,0,0,0|2,0,0]=4 2860 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)C 22a_100000688109_100000210414 [0,2,0,0,0,0|2,0,0]=4 2861 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)Cl 11a_200009860907_100000210414 [0,2,0,0,0,0|2,0,0]=4 2862 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)Cl 1626a_200009860907_100000210414 [0,2,0,0,0,0|2,0,0]=4 2863 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)O 22a_100000007056_100000210414 [0,2,0,0,0,0|2,0,0]=4 2864 B17R2.350730 CCC(=O)Nc1c(ccc2c1cccc2)O 527a_100000007056_100000210414 [0,2,0,0,0,0|2,0,0]=4 2865 B17R2.350730 CNC(=O)Nc1c(ccc2c1cccc2)C 2430a_100000688109_100102657272 [0,2,0,0,0,0|2,0,0]=4 2866 B17R2.350730 Cc1ccc2ccccc2c1CC(=O)CO 1458a_100000210174_100000689653 [0,2,0,0,0,0|0,0,0]=2 2867 B17R2.350730 Cc1ccc2ccccc2c1NC(=O)CO 22a_100000688109_100000210174 [0,2,0,0,0,0|1,0,0]=3 2868 B17R2.350730 Cc1ccc2cccnc2c1NC(=O)CO 22a_100000065890_100000210174 [0,2,0,0,0,0|2,0,0]=4 2869 B17R2.350730 Cc1ccc2ncccc2c1NC(=O)CO 22a_100011933972_100000210174 [0,2,0,0,0,0|2,0,0]=4 2870 B17R2.350730 O=C(CO)Nc1c(ccc2c1cccc2)O 22a_100000007056_100000210174 [0,2,0,0,0,0|1,0,0]=3 2871 B17R2.350730 O=C(CO)Nc1c(ccc2c1cccc2)O 527a_100000007056_100000210174 [0,2,0,0,0,0|1,0,0]=3 2872 B17R2.20680 CC(=O)Cc1cc(=O)oc2c1ccc(c2)C 1458a_100000037586_200000210301 [0,2,0,0,0,0|2,0,0]=4 2873 B17R2.20680 CC(=O)Cc1cc(=O)oc2c1ccc(c2)O 1458a_100000042619_200000210301 [0,2,0,0,0,0|2,0,0]=4 2874 B17R2.20680 CC(=O)Cc1cc(=O)oc2c1ccc(c2)O 1458a_100000070787_100000010346 [0,2,0,0,0,0|2,0,0]=4 2875 B17R2.20680 Cc1ccc2c(cc(=O)oc2c1)CC(=O)[13CH3] 1458a_100000037586_200025704644 [0,2,0,0,0,0|2,0,0]=4 2876 B17R2.20680 [13CH3]C(=O)Cc1cc(=O)oc2c1ccc(c2)O 1458a_100000042619_200025704644 [0,2,0,0,0,0|2,0,0]=4 2877 B17R2.57512 C=CC(=O)Nc1cccc2c1ccc(c2)Br 1626a_100010090037_100000185746 [0,2,0,0,0,0|2,0,0]=4 2878 B17R2.57512 C=CC(=O)Nc1cccc2c1ccc(c2)Br 22a_100010090037_100000185746 [0,2,0,0,0,0|2,0,0]=4 2879 B17R2.57512 C=CC(=O)Nc1cccc2c1ccc(c2)O 1626a_100000034668_100000185746 [0,2,0,0,0,0|2,0,0]=4 2880 B17R2.57512 C=CC(=O)Nc1cccc2c1ccc(c2)O 22a_100000034668_100000185746 [0,2,0,0,0,0|2,0,0]=4 2881 B17R2.57512 CCC(=O)Nc1cccc2c1ccc(c2)Br 11a_100010090037_100000210414 [0,2,0,0,0,0|2,0,0]=4 2882 B17R2.57512 CCC(=O)Nc1cccc2c1ccc(c2)Br 1626a_100010090037_100000210414 [0,2,0,0,0,0|2,0,0]=4 2883 B17R2.57512 CCC(=O)Nc1cccc2c1ccc(c2)Br 22a_100010090037_100000210414 [0,2,0,0,0,0|2,0,0]=4 2884 B17R2.57512 CCC(=O)Nc1cccc2c1ccc(c2)O 1626a_100000034668_100000210414 [0,2,0,0,0,0|2,0,0]=4 2885 B17R2.57512 CCC(=O)Nc1cccc2c1ccc(c2)O 22a_100000034668_100000210414 [0,2,0,0,0,0|2,0,0]=4 2886 B17R2.57512 CCC(=O)Nc1cccc2c1ccc(c2)O 527a_100000034668_100000210414 [0,2,0,0,0,0|2,0,0]=4 2887 B17R2.57512 CNC(=O)Nc1cccc2c1ccc(c2)Br 2430a_100010090037_100102657272 [0,2,0,0,0,0|2,0,0]=4 2888 B17R2.57512 CNC(=O)Nc1cccc2c1ccc(c2)O 2430a_100000034668_100102657272 [0,2,0,0,0,0|2,0,0]=4 2889 B17R2.57512 Cc1ccc2c(cccc2n1)NC(=O)CO 22a_106741707140_100000210174 [0,2,0,0,0,0|2,0,0]=4 2890 B17R2.57512 O=C(CO)Nc1cccc2c1ccc(c2)Br 22a_100010090037_100000210174 [0,2,0,0,0,0|1,0,0]=3 2891 B17R2.57512 O=C(CO)Nc1cccc2c1ccc(c2)O 22a_100000034668_100000210174 [0,2,0,0,0,0|1,0,0]=3 2892 B17R2.57512 O=C(CO)Nc1cccc2c1ccc(c2)O 527a_100000034668_100000210174 [0,2,0,0,0,0|1,0,0]=3 2893 B17R2.57512 O=C(CO)Nc1cccc2c1ncc(c2)Br 22a_100000702407_100000210174 [0,2,0,0,0,0|2,0,0]=4 2894 B17R2.57512 O=C(CO)Nc1cccc2c1ncc(c2)Br 527a_100000702407_100000210174 [0,2,0,0,0,0|2,0,0]=4 2895 B17R2.57512 O=C(CO)Nc1cccc2c1ncc(c2)I 22a_100010214492_100000210174 [0,2,0,0,0,0|2,0,0]=4 2896 B17R2.57512 O=C(CO)Nc1cccc2c1ncc(c2)I 527a_100010214492_100000210174 [0,2,0,0,0,0|2,0,0]=4 2897 B17R2.1261 CC(=O)Nc1cc(cc2c1cccc2)N[13CH3] 34a_100000069934_200025704644 [0,2,0,0,0,0|2,0,0]=4 2898 B17R2.1261 CC(=O)Nc1cc(cc2c1cccc2)N[13CH3] 7a_100000069934_200025704644 [0,2,0,0,0,0|2,0,0]=4 2899 B17R2.1261 CNc1cc(c2ccccc2c1)NC(=O)C 34a_100000069934_200000210301 [0,2,0,0,0,0|2,0,0]=4 2900 B17R2.1261 CNc1cc(c2ccccc2c1)NC(=O)C 7a_100000069934_200000210301 [0,2,0,0,0,0|2,0,0]=4 2901 B17R2.451970 C#CC(=O)Cc1cc(nc2c1cccc2)C 1458a_100000211873_100000755639 [0,2,0,0,0,0|2,0,0]=4 2902 B17R2.451970 C#CC(=O)Cc1cc(nc2c1cccc2)Cl 1458a_100000211873_200010137201 [0,2,0,0,0,0|2,0,0]=4 2903 B17R2.451970 C#CC(=O)Cc1cc(nc2c1cccc2)O 1458a_100000211873_100000187625 [0,2,0,0,0,0|2,0,0]=4 2904 B17R2.451970 C=CC(=O)Cc1cc(nc2c1cccc2)C 1458a_100000185746_100000755639 [0,2,0,0,0,0|2,0,0]=4 2905 B17R2.451970 C=CC(=O)Cc1cc(nc2c1cccc2)Cl 1458a_100000185746_200010137201 [0,2,0,0,0,0|2,0,0]=4 2906 B17R2.451970 C=CC(=O)Cc1cc(nc2c1cccc2)O 1458a_100000185746_100000187625 [0,2,0,0,0,0|2,0,0]=4 2907 B17R2.451970 C=CC(=O)Nc1cc(cc2c1cccc2)Br 1626a_100010171453_100000185746 [0,2,0,0,0,0|2,0,0]=4 2908 B17R2.451970 C=CC(=O)Nc1cc(cc2c1cccc2)Br 22a_100010171453_100000185746 [0,2,0,0,0,0|2,0,0]=4 2909 B17R2.451970 CCC(=O)Cc1cc(nc2c1cccc2)C 1458a_100000210414_100000755639 [0,2,0,0,0,0|2,0,0]=4 2910 B17R2.451970 CCC(=O)Cc1cc(nc2c1cccc2)Cl 1458a_100000210414_200010137201 [0,2,0,0,0,0|2,0,0]=4 2911 B17R2.451970 CCC(=O)Cc1cc(nc2c1cccc2)O 1458a_100000210414_100000187625 [0,2,0,0,0,0|2,0,0]=4 2912 B17R2.451970 CCC(=O)Nc1cc(cc2c1cccc2)Br 11a_100010171453_100000210414 [0,2,0,0,0,0|2,0,0]=4 2913 B17R2.451970 CCC(=O)Nc1cc(cc2c1cccc2)Br 1626a_100010171453_100000210414 [0,2,0,0,0,0|2,0,0]=4 2914 B17R2.451970 CCC(=O)Nc1cc(cc2c1cccc2)Br 22a_100010171453_100000210414 [0,2,0,0,0,0|2,0,0]=4 2915 B17R2.451970 CNC(=O)Nc1cc(cc2c1cccc2)Br 2430a_100010171453_100102657272 [0,2,0,0,0,0|2,0,0]=4 2916 B17R2.451970 CNC(=O)Nc1cc(cc2c1cccc2)Br 512a_100010171453_100102657272 [0,2,0,0,0,0|2,0,0]=4 2917 B17R2.451970 Cc1cc(c2ccccc2n1)CC(=O)CO 1458a_100000210174_100000755639 [0,2,0,0,0,0|1,0,0]=3 2918 B17R2.451970 O=C(CO)Cc1cc(nc2c1cccc2)Cl 1458a_100000210174_200010137201 [0,2,0,0,0,0|1,0,0]=3 2919 B17R2.451970 O=C(CO)Cc1cc(nc2c1cccc2)O 1458a_100000210174_100000187625 [0,2,0,0,0,0|1,0,0]=3 2920 B17R2.451970 O=C(CO)Nc1cc(cc2c1cccc2)Br 22a_100010171453_100000210174 [0,2,0,0,0,0|1,0,0]=3 2921 B17R2.451970 O=C(CO)Nc1cc(cc2c1nccc2)Br 527a_100009814519_100000210174 [0,2,0,0,0,0|2,0,0]=4 2922 B17R2.451970 O=C(CO)Nc1cc(cc2c1nccc2)Cl 527a_100000026717_100000210174 [0,2,0,0,0,0|2,0,0]=4 2923 B17R2.451970 O=C(CO)Nc1cc(cc2c1nccc2)F 527a_100000088212_100000210174 [0,2,0,0,0,0|2,0,0]=4 2924 B17R2.451970 O=C(CO)Nc1cc(cc2c1nccc2)O 527a_100000083691_100000210174 [0,2,0,0,0,0|2,0,0]=4 2925 B17R2.12011 CC(=O)Nc1cccc2c1cc(cc2)O[13CH3] 34a_100009991304_200025704644 [0,2,0,0,0,0|2,0,0]=4 2926 B17R2.12011 CC(=O)Nc1cccc2c1cc(cc2)O[13CH3] 7a_100009991304_200025704644 [0,2,0,0,0,0|2,0,0]=4 2927 B17R2.12011 COc1ccc2cccc(c2c1)CC(=O)C 1458a_100000692902_200000210301 [0,2,0,0,0,0|1,0,0]=3 2928 B17R2.12011 COc1ccc2cccc(c2c1)CC(=O)[13CH3] 1458a_100000692902_200025704644 [0,2,0,0,0,0|1,0,0]=3 2929 B17R2.12011 COc1ccc2cccc(c2c1)NC(=O)C 11a_100000087654_100015343762 [0,2,0,0,0,0|2,0,0]=4 2930 B17R2.12011 COc1ccc2cccc(c2c1)NC(=O)C 1626a_100000087654_100015343762 [0,2,0,0,0,0|2,0,0]=4 2931 B17R2.12011 COc1ccc2cccc(c2c1)NC(=O)C 22a_100000087654_100000070787 [0,2,0,0,0,0|2,0,0]=4 2932 B17R2.12011 COc1ccc2cccc(c2c1)NC(=O)C 34a_100009991304_200000210301 [0,2,0,0,0,0|2,0,0]=4 2933 B17R2.12011 COc1ccc2cccc(c2c1)NC(=O)C 527a_100000087654_100103153847 [0,2,0,0,0,0|2,0,0]=4 2934 B17R2.12011 COc1ccc2cccc(c2c1)NC(=O)C 7a_100009991304_200000210301 [0,2,0,0,0,0|2,0,0]=4 2935 B17R2.351811 C=CC(=O)Nc1cccc2c1cc(cc2)Br 1626a_100010090012_100000185746 [0,2,0,0,0,0|2,0,0]=4 2936 B17R2.351811 C=CC(=O)Nc1cccc2c1cc(cc2)Br 22a_100010090012_100000185746 [0,2,0,0,0,0|2,0,0]=4 2937 B17R2.351811 C=CC(=O)Nc1cccc2c1cc(cc2)O 1626a_100000034012_100000185746 [0,2,0,0,0,0|2,0,0]=4 2938 B17R2.351811 C=CC(=O)Nc1cccc2c1cc(cc2)O 22a_100000034012_100000185746 [0,2,0,0,0,0|2,0,0]=4 2939 B17R2.351811 CCC(=O)Nc1cccc2c1cc(cc2)Br 11a_100010090012_100000210414 [0,2,0,0,0,0|2,0,0]=4 2940 B17R2.351811 CCC(=O)Nc1cccc2c1cc(cc2)Br 1626a_100010090012_100000210414 [0,2,0,0,0,0|2,0,0]=4 2941 B17R2.351811 CCC(=O)Nc1cccc2c1cc(cc2)Br 22a_100010090012_100000210414 [0,2,0,0,0,0|2,0,0]=4 2942 B17R2.351811 CCC(=O)Nc1cccc2c1cc(cc2)Br 527a_100010090012_100000210414 [0,2,0,0,0,0|2,0,0]=4 2943 B17R2.351811 CCC(=O)Nc1cccc2c1cc(cc2)O 1626a_100000034012_100000210414 [0,2,0,0,0,0|2,0,0]=4 2944 B17R2.351811 CCC(=O)Nc1cccc2c1cc(cc2)O 22a_100000034012_100000210414 [0,2,0,0,0,0|2,0,0]=4 2945 B17R2.351811 CCC(=O)Nc1cccc2c1cc(cc2)O 527a_100000034012_100000210414 [0,2,0,0,0,0|2,0,0]=4 2946 B17R2.351811 CNC(=O)Nc1cccc2c1cc(cc2)Br 2430a_100010090012_100102657272 [0,2,0,0,0,0|2,0,0]=4 2947 B17R2.351811 CNC(=O)Nc1cccc2c1cc(cc2)O 2430a_100000034012_100102657272 [0,2,0,0,0,0|2,0,0]=4 2948 B17R2.351811 Cc1ccc2cccc(c2n1)NC(=O)CO 22a_100000019871_100000210174 [0,2,0,0,0,0|2,0,0]=4 2949 B17R2.351811 Cc1ccc2cccc(c2n1)NC(=O)CO 527a_100000019871_100000210174 [0,2,0,0,0,0|2,0,0]=4 2950 B17R2.351811 O=C(CO)Nc1cccc2c1cc(cc2)Br 22a_100010090012_100000210174 [0,2,0,0,0,0|1,0,0]=3 2951 B17R2.351811 O=C(CO)Nc1cccc2c1cc(cc2)Br 527a_100010090012_100000210174 [0,2,0,0,0,0|1,0,0]=3 2952 B17R2.351811 O=C(CO)Nc1cccc2c1cc(cc2)O 22a_100000034012_100000210174 [0,2,0,0,0,0|1,0,0]=3 2953 B17R2.351811 O=C(CO)Nc1cccc2c1cc(cc2)O 527a_100000034012_100000210174 [0,2,0,0,0,0|1,0,0]=3 2954 B17R2.351811 O=C(CO)Nc1cccc2c1cc(cn2)Br 22a_100010264086_100000210174 [0,2,0,0,0,0|2,0,0]=4 2955 B17R2.57516 C=CC(=O)Nc1cccc2c1cccc2Br 1626a_100009816864_100000185746 [0,2,0,0,0,0|2,0,0]=4 2956 B17R2.57516 C=CC(=O)Nc1cccc2c1cccc2Cl 1626a_100000077128_100000185746 [0,2,0,0,0,0|2,0,0]=4 2957 B17R2.57516 C=CC(=O)Nc1cccc2c1cccc2Cl 22a_100000077128_100000185746 [0,2,0,0,0,0|2,0,0]=4 2958 B17R2.57516 C=CC(=O)Nc1cccc2c1cccc2O 1626a_100000210686_100000185746 [0,2,0,0,0,0|2,0,0]=4 2959 B17R2.57516 CCC(=O)Nc1cccc2c1cccc2Br 11a_100009816864_100000210414 [0,2,0,0,0,0|2,0,0]=4 2960 B17R2.57516 CCC(=O)Nc1cccc2c1cccc2Br 1626a_100009816864_100000210414 [0,2,0,0,0,0|2,0,0]=4 2961 B17R2.57516 CCC(=O)Nc1cccc2c1cccc2Br 527a_100009816864_100000210414 [0,2,0,0,0,0|2,0,0]=4 2962 B17R2.57516 CCC(=O)Nc1cccc2c1cccc2Cl 11a_100000077128_100000210414 [0,2,0,0,0,0|2,0,0]=4 2963 B17R2.57516 CCC(=O)Nc1cccc2c1cccc2Cl 1626a_100000077128_100000210414 [0,2,0,0,0,0|2,0,0]=4 2964 B17R2.57516 CCC(=O)Nc1cccc2c1cccc2Cl 22a_100000077128_100000210414 [0,2,0,0,0,0|2,0,0]=4 2965 B17R2.57516 CCC(=O)Nc1cccc2c1cccc2O 1626a_100000210686_100000210414 [0,2,0,0,0,0|2,0,0]=4 2966 B17R2.57516 CNC(=O)Nc1cccc2c1cccc2Br 2430a_100009816864_100102657272 [0,2,0,0,0,0|2,0,0]=4 2967 B17R2.57516 CNC(=O)Nc1cccc2c1cccc2Cl 2430a_100000077128_100102657272 [0,2,0,0,0,0|2,0,0]=4 2968 B17R2.57516 CNC(=O)Nc1cccc2c1cccc2O 2430a_100000210686_100102657272 [0,2,0,0,0,0|2,0,0]=4 2969 B17R2.57516 C[n+]1cccc2c1cccc2NC(=O)CO 22a_200021579679_100000210174 [0,2,0,0,0,0|2,0,0]=4 2970 B17R2.57516 C[n+]1cccc2c1cccc2NC(=O)CO 527a_200021579679_100000210174 [0,2,0,0,0,0|2,0,0]=4 2971 B17R2.57516 Cc1ccnc2c1cccc2NC(=O)CO 22a_100011934384_100000210174 [0,2,0,0,0,0|2,0,0]=4 2972 B17R2.57516 Cc1ccnc2c1cccc2NC(=O)CO 527a_100011934384_100000210174 [0,2,0,0,0,0|2,0,0]=4 2973 B17R2.57516 O=C(CO)Nc1cccc2c1cc[nH]c2=O 22a_100000080576_100000210174 [0,2,0,0,0,0|2,0,0]=4 2974 B17R2.57516 O=C(CO)Nc1cccc2c1cc[nH]c2=O 527a_100000080576_100000210174 [0,2,0,0,0,0|2,0,0]=4 2975 B17R2.57516 O=C(CO)Nc1cccc2c1cccc2Br 527a_100009816864_100000210174 [0,2,0,0,0,0|1,0,0]=3 2976 B17R2.57516 O=C(CO)Nc1cccc2c1cccc2Cl 22a_100000077128_100000210174 [0,2,0,0,0,0|1,0,0]=3 2977 B17R2.57516 O=C(CO)Nc1cccc2c1nccc2Cl 527a_100009892510_100000210174 [0,2,0,0,0,0|2,0,0]=4 2978 B17R2.63357 CC(=O)Nc1cccc2c1cccc2C#N 11a_100009861062_100015343762 [0,2,0,0,0,0|2,0,0]=4 2979 B17R2.63357 CC(=O)Nc1cccc2c1cccc2C#N 1626a_100009861062_100015343762 [0,2,0,0,0,0|2,0,0]=4 2980 B17R2.67162 C=Cc1ccc(c2c1cccc2)NC(=O)C 271570a_100011290941_200012047196 [0,2,0,0,0,0|2,0,0]=4 2981 B17R2.67162 CC(=O)Nc1ccc(c2c1cccc2)C#N 11a_100011215170_100015343762 [0,2,0,0,0,0|2,0,0]=4 2982 B17R2.67162 CC(=O)Nc1ccc(c2c1cccc2)C#N 1626a_100011215170_100015343762 [0,2,0,0,0,0|2,0,0]=4 2983 B17R2.67162 CCc1ccc(c2c1cccc2)NC(=O)C 11a_200009955361_100015343762 [0,2,0,0,0,0|2,0,0]=4 2984 B17R2.67162 CCc1ccc(c2c1cccc2)NC(=O)C 1626a_200009955361_100015343762 [0,2,0,0,0,0|2,0,0]=4 2985 B17R2.67162 CCc1ccc(c2c1cccc2)NC(=O)C 22a_200009955361_100000070787 [0,2,0,0,0,0|2,0,0]=4 2986 B17R2.67162 CCc1ccc(c2c1cccc2)NC(=O)C 527a_200009955361_100103153847 [0,2,0,0,0,0|2,0,0]=4 2987 B17R2.67162 COc1ccc(c2c1cccc2)NC(=O)C 11a_100020629631_100015343762 [0,2,0,0,0,0|2,0,0]=4 2988 B17R2.67162 COc1ccc(c2c1cccc2)NC(=O)C 1626a_100020629631_100015343762 [0,2,0,0,0,0|2,0,0]=4 2989 B17R2.67162 COc1ccc(c2c1cccc2)NC(=O)C 22a_100020629631_100000070787 [0,2,0,0,0,0|2,0,0]=4 2990 B17R2.67162 COc1ccc(c2c1cccc2)NC(=O)C 527a_100020629631_100103153847 [0,2,0,0,0,0|2,0,0]=4 2991 B17R2.451963 C#CC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000211873_100012352185 [0,2,0,0,0,0|1,0,0]=3 2992 B17R2.451963 C#CC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000211873_100012073487 [0,2,0,0,0,0|1,0,0]=3 2993 B17R2.451963 C#CC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000211873_100011988723 [0,2,0,0,0,0|1,0,0]=3 2994 B17R2.451963 C#CC(=O)Cc1ccc(c2c1cccn2)O 1458a_100000211873_100000683097 [0,2,0,0,0,0|2,0,0]=4 2995 B17R2.451963 C=CC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000185746_100012352185 [0,2,0,0,0,0|1,0,0]=3 2996 B17R2.451963 C=CC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000185746_100012073487 [0,2,0,0,0,0|1,0,0]=3 2997 B17R2.451963 C=CC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000185746_100011988723 [0,2,0,0,0,0|1,0,0]=3 2998 B17R2.451963 C=CC(=O)Cc1ccc(c2c1cccn2)O 1458a_100000185746_100000683097 [0,2,0,0,0,0|2,0,0]=4 2999 B17R2.451963 C=CC(=O)Nc1ccc(c2c1cccc2)Br 1626a_100000766797_100000185746 [0,2,0,0,0,0|2,0,0]=4 3000 B17R2.451963 C=CC(=O)Nc1ccc(c2c1cccc2)Br 22a_100000766797_100000185746 [0,2,0,0,0,0|2,0,0]=4 3001 B17R2.451963 C=CC(=O)Nc1ccc(c2c1cccc2)Cl 1626a_100011216319_100000185746 [0,2,0,0,0,0|2,0,0]=4 3002 B17R2.451963 C=CC(=O)Nc1ccc(c2c1cccc2)Cl 22a_100011216319_100000185746 [0,2,0,0,0,0|2,0,0]=4 3003 B17R2.451963 C=CC(=O)Nc1ccc(c2c1cccc2)F 1626a_100011988692_100000185746 [0,2,0,0,0,0|2,0,0]=4 3004 B17R2.451963 C=CC(=O)Nc1ccc(c2c1cccc2)F 22a_100011988692_100000185746 [0,2,0,0,0,0|2,0,0]=4 3005 B17R2.451963 C=CC(=O)Nc1ccc(c2c1cccc2)O 22a_100000705857_100000185746 [0,2,0,0,0,0|2,0,0]=4 3006 B17R2.451963 CCC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000210414_100012352185 [0,2,0,0,0,0|1,0,0]=3 3007 B17R2.451963 CCC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000210414_100012073487 [0,2,0,0,0,0|1,0,0]=3 3008 B17R2.451963 CCC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000210414_100011988723 [0,2,0,0,0,0|1,0,0]=3 3009 B17R2.451963 CCC(=O)Cc1ccc(c2c1cccn2)O 1458a_100000210414_100000683097 [0,2,0,0,0,0|2,0,0]=4 3010 B17R2.451963 CCC(=O)Cn1ccc(=O)c2c1cccc2 1458a_100000745096_100000210202 [0,2,0,0,0,0|2,0,0]=4 3011 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Br 11a_100000766797_100000210414 [0,2,0,0,0,0|2,0,0]=4 3012 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Br 1626a_100000766797_100000210414 [0,2,0,0,0,0|2,0,0]=4 3013 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Br 22a_100000766797_100000210414 [0,2,0,0,0,0|2,0,0]=4 3014 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Cl 11a_100011216319_100000210414 [0,2,0,0,0,0|2,0,0]=4 3015 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Cl 1626a_100011216319_100000210414 [0,2,0,0,0,0|2,0,0]=4 3016 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Cl 22a_100011216319_100000210414 [0,2,0,0,0,0|2,0,0]=4 3017 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)F 11a_100011988692_100000210414 [0,2,0,0,0,0|2,0,0]=4 3018 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)F 1626a_100011988692_100000210414 [0,2,0,0,0,0|2,0,0]=4 3019 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)F 22a_100011988692_100000210414 [0,2,0,0,0,0|2,0,0]=4 3020 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)O 22a_100000705857_100000210414 [0,2,0,0,0,0|2,0,0]=4 3021 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)O 527a_100000705857_100000210414 [0,2,0,0,0,0|2,0,0]=4 3022 B17R2.451963 CNC(=O)Cn1ccc(=O)c2c1cccc2 11a_106832991635_100000745096 [0,2,0,0,0,0|2,0,0]=4 3023 B17R2.451963 CNC(=O)Cn1ccc(=O)c2c1cccc2 1626a_100102657272_100000745096 [0,2,0,0,0,0|2,0,0]=4 3024 B17R2.451963 CNC(=O)Cn1ccc(=O)c2c1cccc2 240690a_100102657272_100000745096 [0,2,0,0,0,0|2,0,0]=4 3025 B17R2.451963 CNC(=O)Cn1ccc(=O)c2c1cccc2 527a_100102657272_100000745096 [0,2,0,0,0,0|2,0,0]=4 3026 B17R2.451963 CNC(=O)Nc1ccc(c2c1cccc2)Br 2430a_100000766797_100102657272 [0,2,0,0,0,0|2,0,0]=4 3027 B17R2.451963 CNC(=O)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100102657272 [0,2,0,0,0,0|2,0,0]=4 3028 B17R2.451963 CNC(=O)Nc1ccc(c2c1cccc2)F 2430a_100011988692_100102657272 [0,2,0,0,0,0|2,0,0]=4 3029 B17R2.451963 CNC(=O)Nc1ccc(c2c1cccc2)O 2430a_100000705857_100102657272 [0,2,0,0,0,0|2,0,0]=4 3030 B17R2.451963 Cc1ccc(c2c1cccc2)CC(=O)CO 1458a_100000210174_100012073487 [0,2,0,0,0,0|0,0,0]=2 3031 B17R2.451963 Cc1ccc(c2c1nccc2)NC(=O)CO 22a_100000736242_100000210174 [0,2,0,0,0,0|2,0,0]=4 3032 B17R2.451963 O=C(CF)Cn1ccc(=O)c2c1cccc2 1458a_100000745096_100015361967 [0,2,0,0,0,0|2,0,0]=4 3033 B17R2.451963 O=C(CO)Cc1ccc(c2c1cccc2)Br 1458a_100000210174_100012352185 [0,2,0,0,0,0|0,0,0]=2 3034 B17R2.451963 O=C(CO)Cc1ccc(c2c1cccc2)F 1458a_100000210174_100011988723 [0,2,0,0,0,0|0,0,0]=2 3035 B17R2.451963 O=C(CO)Cc1ccc(c2c1cccn2)O 1458a_100000210174_100000683097 [0,2,0,0,0,0|1,0,0]=3 3036 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccc2)Br 22a_100000766797_100000210174 [0,2,0,0,0,0|1,0,0]=3 3037 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccc2)Cl 22a_100011216319_100000210174 [0,2,0,0,0,0|1,0,0]=3 3038 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccc2)F 22a_100011988692_100000210174 [0,2,0,0,0,0|1,0,0]=3 3039 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccc2)O 22a_100000705857_100000210174 [0,2,0,0,0,0|1,0,0]=3 3040 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccc2)O 527a_100000705857_100000210174 [0,2,0,0,0,0|1,0,0]=3 3041 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccn2)Br 22a_100012360041_100000210174 [0,2,0,0,0,0|2,0,0]=4 3042 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccn2)Cl 22a_100000746469_100000210174 [0,2,0,0,0,0|2,0,0]=4 3043 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccn2)F 22a_102125277280_100000210174 [0,2,0,0,0,0|2,0,0]=4 3044 B17R2.451963 O=C(CO)Nc1ccc(c2c1cccn2)O 22a_100000188197_100000210174 [0,2,0,0,0,0|2,0,0]=4 3045 B17R2.451963 O=C(CO)Nc1ccc(c2c1ccnc2)Br 22a_200012344021_100000210174 [0,2,0,0,0,0|2,0,0]=4 3046 B17R2.451963 O=C(CO)Nc1ccc(c2c1cncc2)Br 22a_100011218454_100000210174 [0,2,0,0,0,0|2,0,0]=4 3047 B17R2.451963 O=C(CO)Nc1ccc(c2c1nccc2)Br 527a_100000726955_100000210174 [0,2,0,0,0,0|2,0,0]=4 3048 B17R2.451963 O=C(CO)Nc1ccc(c2c1nccc2)Cl 22a_100000736140_100000210174 [0,2,0,0,0,0|2,0,0]=4 3049 B17R2.451963 O=C(CO)Nc1ccc(c2c1nccc2)I 527a_100012970284_100000210174 [0,2,0,0,0,0|2,0,0]=4 3050 B17R2.351768 C=CC(=O)Nc1cccc2c1c(ccc2)Br 1626a_100010002837_100000185746 [0,2,0,0,0,0|2,0,0]=4 3051 B17R2.351768 C=CC(=O)Nc1cccc2c1c(ccc2)C 1626a_100009841044_100000185746 [0,2,0,0,0,0|2,0,0]=4 3052 B17R2.351768 C=CC(=O)Nc1cccc2c1c(ccc2)C 22a_100009841044_100000185746 [0,2,0,0,0,0|2,0,0]=4 3053 B17R2.351768 C=CC(=O)Nc1cccc2c1c(ccc2)Cl 1626a_100009857565_100000185746 [0,2,0,0,0,0|2,0,0]=4 3054 B17R2.351768 C=CC(=O)Nc1cccc2c1c(ccc2)F 1626a_100009878580_100000185746 [0,2,0,0,0,0|2,0,0]=4 3055 B17R2.351768 C=CC(=O)Nc1cccc2c1c(ccc2)F 22a_100009878580_100000185746 [0,2,0,0,0,0|2,0,0]=4 3056 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)Br 11a_100010002837_100000210414 [0,2,0,0,0,0|2,0,0]=4 3057 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)Br 1626a_100010002837_100000210414 [0,2,0,0,0,0|2,0,0]=4 3058 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)Br 527a_100010002837_100000210414 [0,2,0,0,0,0|2,0,0]=4 3059 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)C 11a_100009841044_100000210414 [0,2,0,0,0,0|2,0,0]=4 3060 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)C 1626a_100009841044_100000210414 [0,2,0,0,0,0|2,0,0]=4 3061 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)C 22a_100009841044_100000210414 [0,2,0,0,0,0|2,0,0]=4 3062 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)Cl 11a_100009857565_100000210414 [0,2,0,0,0,0|2,0,0]=4 3063 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)Cl 1626a_100009857565_100000210414 [0,2,0,0,0,0|2,0,0]=4 3064 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)F 11a_100009878580_100000210414 [0,2,0,0,0,0|2,0,0]=4 3065 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)F 1626a_100009878580_100000210414 [0,2,0,0,0,0|2,0,0]=4 3066 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)F 22a_100009878580_100000210414 [0,2,0,0,0,0|2,0,0]=4 3067 B17R2.351768 CCC(=O)Nc1cccc2c1c(ccc2)F 527a_100009878580_100000210414 [0,2,0,0,0,0|2,0,0]=4 3068 B17R2.351768 CNC(=O)Nc1cccc2c1c(ccc2)Br 2430a_100010002837_100102657272 [0,2,0,0,0,0|2,0,0]=4 3069 B17R2.351768 CNC(=O)Nc1cccc2c1c(ccc2)Br 512a_100010002837_100102657272 [0,2,0,0,0,0|2,0,0]=4 3070 B17R2.351768 CNC(=O)Nc1cccc2c1c(ccc2)C 2430a_100009841044_100102657272 [0,2,0,0,0,0|2,0,0]=4 3071 B17R2.351768 CNC(=O)Nc1cccc2c1c(ccc2)Cl 2430a_100009857565_100102657272 [0,2,0,0,0,0|2,0,0]=4 3072 B17R2.351768 CNC(=O)Nc1cccc2c1c(ccc2)F 2430a_100009878580_100102657272 [0,2,0,0,0,0|2,0,0]=4 3073 B17R2.351768 CNC(=O)Nc1cccc2c1c(ccc2)F 512a_100009878580_100102657272 [0,2,0,0,0,0|2,0,0]=4 3074 B17R2.351768 Cc1cccc2c1c(ccc2)NC(=O)CO 22a_100009841044_100000210174 [0,2,0,0,0,0|1,0,0]=3 3075 B17R2.351768 Cc1cncc2c1c(ccc2)NC(=O)CO 22a_100009845824_100000210174 [0,2,0,0,0,0|2,0,0]=4 3076 B17R2.351768 Cc1cncc2c1c(ccc2)NC(=O)CO 527a_100009845824_100000210174 [0,2,0,0,0,0|2,0,0]=4 3077 B17R2.351768 O=C(CO)Nc1cccc2c1[n+](ccc2)[O-] 22a_200000070183_100000210174 [0,2,0,0,0,0|2,0,0]=4 3078 B17R2.351768 O=C(CO)Nc1cccc2c1[n+](ccc2)[O-] 527a_200000070183_100000210174 [0,2,0,0,0,0|2,0,0]=4 3079 B17R2.351768 O=C(CO)Nc1cccc2c1c(ccc2)Br 527a_100010002837_100000210174 [0,2,0,0,0,0|1,0,0]=3 3080 B17R2.351768 O=C(CO)Nc1cccc2c1c(ccc2)F 22a_100009878580_100000210174 [0,2,0,0,0,0|1,0,0]=3 3081 B17R2.351768 O=C(CO)Nc1cccc2c1c(ccc2)F 527a_100009878580_100000210174 [0,2,0,0,0,0|1,0,0]=3 3082 B17R2.351768 O=C(CO)Nc1cccc2c1c(cnc2)Br 527a_100000720362_100000210174 [0,2,0,0,0,0|2,0,0]=4 3083 B17R2.322318 C#CCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000184674 [0,2,0,0,0,0|1,0,0]=3 3084 B17R2.322318 C#CCC(=O)Cc1cccc2c1cccc2 1458a_100011220946_100000188474 [0,2,0,0,0,0|1,0,0]=3 3085 B17R2.322318 C#CCC(=O)Cc1cccc2c1ccnc2 1458a_100011220946_100016989825 [0,2,0,0,0,0|2,0,0]=4 3086 B17R2.322318 C#CCC(=O)Cc1cccc2c1nccc2 1458a_100011220946_100000241032 [0,2,0,0,0,0|2,0,0]=4 3087 B17R2.322318 C#CCC(=O)Cc1ccnc2c1cccc2 1458a_100011220946_100015192512 [0,2,0,0,0,0|2,0,0]=4 3088 B17R2.322318 C#CCC(=O)Cc1nccc2c1cccc2 1458a_100011220946_100000033776 [0,2,0,0,0,0|2,0,0]=4 3089 B17R2.322318 C#CCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100011220946 [0,2,0,0,0,0|2,0,0]=4 3090 B17R2.322318 C=CCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210623 [0,2,0,0,0,0|1,0,0]=3 3091 B17R2.322318 C=CCC(=O)Cc1cccc2c1cccc2 1458a_100000210193_100000188474 [0,2,0,0,0,0|1,0,0]=3 3092 B17R2.322318 C=CCC(=O)Cc1cccc2c1ccnc2 1458a_100000210193_100016989825 [0,2,0,0,0,0|2,0,0]=4 3093 B17R2.322318 C=CCC(=O)Cc1cccc2c1nccc2 1458a_100000210193_100000241032 [0,2,0,0,0,0|2,0,0]=4 3094 B17R2.322318 C=CCC(=O)Cc1ccnc2c1cccc2 1458a_100000210193_100015192512 [0,2,0,0,0,0|2,0,0]=4 3095 B17R2.322318 C=CCC(=O)Cc1nccc2c1cccc2 1458a_100000210193_100000033776 [0,2,0,0,0,0|2,0,0]=4 3096 B17R2.322318 C=CCC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000210193 [0,2,0,0,0,0|2,0,0]=4 3097 B17R2.322318 C=CCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000210193 [0,2,0,0,0,0|2,0,0]=4 3098 B17R2.322318 C=CCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000210193 [0,2,0,0,0,0|2,0,0]=4 3099 B17R2.322318 CC#CC(=O)Cc1cccc2c1cccc2 1458a_100000763181_100000188474 [0,2,0,0,0,0|1,0,0]=3 3100 B17R2.322318 CC#CC(=O)Cc1cccc2c1ccnc2 1458a_100000763181_100016989825 [0,2,0,0,0,0|2,0,0]=4 3101 B17R2.322318 CC#CC(=O)Cc1cccc2c1nccc2 1458a_100000763181_100000241032 [0,2,0,0,0,0|2,0,0]=4 3102 B17R2.322318 CC#CC(=O)Cc1ccnc2c1cccc2 1458a_100000763181_100015192512 [0,2,0,0,0,0|2,0,0]=4 3103 B17R2.322318 CC#CC(=O)Cc1nccc2c1cccc2 1458a_100000763181_100000033776 [0,2,0,0,0,0|2,0,0]=4 3104 B17R2.322318 CC#CC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000763181 [0,2,0,0,0,0|2,0,0]=4 3105 B17R2.322318 CC=CC(=O)Cc1cccc2c1cccc2 1458a_100000210699_100000188474 [0,2,0,0,0,0|1,0,0]=3 3106 B17R2.322318 CC=CC(=O)Cc1cccc2c1ccnc2 1458a_100000210699_100016989825 [0,2,0,0,0,0|2,0,0]=4 3107 B17R2.322318 CC=CC(=O)Cc1cccc2c1nccc2 1458a_100000210699_100000241032 [0,2,0,0,0,0|2,0,0]=4 3108 B17R2.322318 CC=CC(=O)Cc1ccnc2c1cccc2 1458a_100000210699_100015192512 [0,2,0,0,0,0|2,0,0]=4 3109 B17R2.322318 CC=CC(=O)Cc1nccc2c1cccc2 1458a_100000210699_100000033776 [0,2,0,0,0,0|2,0,0]=4 3110 B17R2.322318 CC=CC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000210699 [0,2,0,0,0,0|2,0,0]=4 3111 B17R2.322318 CC=CC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000210699 [0,2,0,0,0,0|2,0,0]=4 3112 B17R2.322318 CC=CC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000210699 [0,2,0,0,0,0|2,0,0]=4 3113 B17R2.322318 CCCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210303 [0,2,0,0,0,0|1,0,0]=3 3114 B17R2.322318 CCCC(=O)Cc1cccc2c1cccc2 1458a_100000211992_100000188474 [0,2,0,0,0,0|1,0,0]=3 3115 B17R2.322318 CCCC(=O)Cc1cccc2c1ccnc2 1458a_100000211992_100016989825 [0,2,0,0,0,0|2,0,0]=4 3116 B17R2.322318 CCCC(=O)Cc1cccc2c1nccc2 1458a_100000211992_100000241032 [0,2,0,0,0,0|2,0,0]=4 3117 B17R2.322318 CCCC(=O)Cc1ccnc2c1cccc2 1458a_100000211992_100015192512 [0,2,0,0,0,0|2,0,0]=4 3118 B17R2.322318 CCCC(=O)Cc1nccc2c1cccc2 1458a_100000211992_100000033776 [0,2,0,0,0,0|2,0,0]=4 3119 B17R2.322318 CCCC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000211992 [0,2,0,0,0,0|2,0,0]=4 3120 B17R2.322318 CCCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000211992 [0,2,0,0,0,0|2,0,0]=4 3121 B17R2.322318 CCCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000211992 [0,2,0,0,0,0|2,0,0]=4 3122 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 11a_100015525214_100000186155 [0,2,0,0,0,0|1,0,0]=3 3123 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 240690a_100015525214_100000186155 [0,2,0,0,0,0|1,0,0]=3 3124 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 527a_100015525214_100000186155 [0,2,0,0,0,0|1,0,0]=3 3125 B17R2.322318 CCNC(=O)Nc1cccc2c1cccc2 2430a_100000185869_100015525214 [0,2,0,0,0,0|2,0,0]=4 3126 B17R2.322318 CN(CC=O)Cc1cccc2c1cccc2 2230a_100000741213_200015260668 [0,2,0,0,0,0|2,0,0]=4 3127 B17R2.322318 CN(CC=O)Cc1cccc2c1cccc2 269982a_100000741213_200015260668 [0,2,0,0,0,0|2,0,0]=4 3128 B17R2.322318 CN(CCO)Cc1cccc2c1cccc2 2230a_100000210263_100011261445 [0,2,0,0,0,0|2,0,0]=4 3129 B17R2.322318 CN(CCO)Cc1cccc2c1cccc2 2230a_100000741213_100000211926 [0,2,0,0,0,0|2,0,0]=4 3130 B17R2.322318 CN(CCO)Cc1cccc2c1cccc2 269982a_100000210263_100000188474 [0,2,0,0,0,0|2,0,0]=4 3131 B17R2.322318 CN(CCO)Cc1cccc2c1cccc2 269982a_100000741213_100000211926 [0,2,0,0,0,0|2,0,0]=4 3132 B17R2.322318 CN(CCO)Cc1cccc2c1cccc2 270004a_100000210263_100000210074 [0,2,0,0,0,0|2,0,0]=4 3133 B17R2.322318 CNCC(=O)Nc1cccc2c1cccc2 2230a_106832991635_100000182872 [0,2,0,0,0,0|2,0,0]=4 3134 B17R2.322318 CNCC(=O)Nc1cccc2c1cccc2 7a_106832991635_100000182872 [0,2,0,0,0,0|2,0,0]=4 3135 B17R2.322318 CNNC(=O)Cc1cccc2c1cccc2 22a_100016993582_100000186155 [0,2,0,0,0,0|1,0,0]=3 3136 B17R2.322318 COCC(=O)Cc1cccc2c1cccc2 1458a_100000210968_100000188474 [0,2,0,0,0,0|0,0,0]=2 3137 B17R2.322318 COCC(=O)Cc1cccc2c1ccnc2 1458a_100000210968_100016989825 [0,2,0,0,0,0|1,0,0]=3 3138 B17R2.322318 COCC(=O)Cc1cccc2c1nccc2 1458a_100000210968_100000241032 [0,2,0,0,0,0|1,0,0]=3 3139 B17R2.322318 COCC(=O)Cc1ccnc2c1cccc2 1458a_100000210968_100015192512 [0,2,0,0,0,0|1,0,0]=3 3140 B17R2.322318 COCC(=O)Cc1nccc2c1cccc2 1458a_100000210968_100000033776 [0,2,0,0,0,0|1,0,0]=3 3141 B17R2.322318 COCC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000210968 [0,2,0,0,0,0|1,0,0]=3 3142 B17R2.322318 COCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000210968 [0,2,0,0,0,0|1,0,0]=3 3143 B17R2.322318 COCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000210968 [0,2,0,0,0,0|1,0,0]=3 3144 B17R2.322318 COCC(=O)Nc1cccc2c1cccn2 11a_100000183906_100000210968 [0,2,0,0,0,0|2,0,0]=4 3145 B17R2.322318 COCC(=O)Nc1cccc2c1cccn2 1626a_100000183906_100000210968 [0,2,0,0,0,0|2,0,0]=4 3146 B17R2.322318 COCC(=O)Nc1cccc2c1cccn2 22a_100000183906_100000210968 [0,2,0,0,0,0|2,0,0]=4 3147 B17R2.322318 COCC(=O)Nc1cccc2c1ccnc2 11a_100000210097_100000210968 [0,2,0,0,0,0|2,0,0]=4 3148 B17R2.322318 COCC(=O)Nc1cccc2c1ccnc2 1626a_100000210097_100000210968 [0,2,0,0,0,0|2,0,0]=4 3149 B17R2.322318 COCC(=O)Nc1cccc2c1ccnc2 22a_100000210097_100000210968 [0,2,0,0,0,0|2,0,0]=4 3150 B17R2.322318 COCC(=O)Nc1cccc2c1ccnc2 527a_100000210097_100000210968 [0,2,0,0,0,0|2,0,0]=4 3151 B17R2.322318 COCC(=O)Nc1cccc2c1cncc2 11a_100000065885_100000210968 [0,2,0,0,0,0|2,0,0]=4 3152 B17R2.322318 COCC(=O)Nc1cccc2c1cncc2 1626a_100000065885_100000210968 [0,2,0,0,0,0|2,0,0]=4 3153 B17R2.322318 COCC(=O)Nc1cccc2c1cncc2 22a_100000065885_100000210968 [0,2,0,0,0,0|2,0,0]=4 3154 B17R2.322318 COCC(=O)Nc1cccc2c1cncc2 527a_100000065885_100000210968 [0,2,0,0,0,0|2,0,0]=4 3155 B17R2.322318 COCC(=O)Nc1cccc2c1nccc2 11a_100000181377_100000210968 [0,2,0,0,0,0|2,0,0]=4 3156 B17R2.322318 COCC(=O)Nc1cccc2c1nccc2 1626a_100000181377_100000210968 [0,2,0,0,0,0|2,0,0]=4 3157 B17R2.322318 COCC(=O)Nc1cccc2c1nccc2 22a_100000181377_100000210968 [0,2,0,0,0,0|2,0,0]=4 3158 B17R2.322318 COCC(=O)Nc1cccc2c1nccc2 527a_100000181377_100000210968 [0,2,0,0,0,0|2,0,0]=4 3159 B17R2.322318 COCN(C)Cc1cccc2c1cccc2 2230a_100000741213_100000766300 [0,2,0,0,0,0|2,0,0]=4 3160 B17R2.322318 COCN(C)Cc1cccc2c1cccc2 269982a_100000741213_100000766300 [0,2,0,0,0,0|2,0,0]=4 3161 B17R2.322318 CSCC(=O)Cc1cccc2c1cccc2 1458a_100000184570_100000188474 [0,2,0,0,0,0|0,1,0]=3 3162 B17R2.322318 CSCC(=O)Cc1cccc2c1ccnc2 1458a_100000184570_100016989825 [0,2,0,0,0,0|1,1,0]=4 3163 B17R2.322318 CSCC(=O)Cc1cccc2c1nccc2 1458a_100000184570_100000241032 [0,2,0,0,0,0|1,1,0]=4 3164 B17R2.322318 CSCC(=O)Cc1ccnc2c1cccc2 1458a_100000184570_100015192512 [0,2,0,0,0,0|1,1,0]=4 3165 B17R2.322318 CSCC(=O)Cc1nccc2c1cccc2 1458a_100000184570_100000033776 [0,2,0,0,0,0|1,1,0]=4 3166 B17R2.322318 CSCC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000184570 [0,2,0,0,0,0|1,1,0]=4 3167 B17R2.322318 CSCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000184570 [0,2,0,0,0,0|1,1,0]=4 3168 B17R2.322318 CSCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000184570 [0,2,0,0,0,0|1,1,0]=4 3169 B17R2.322318 CSCC(=O)Nc1cccc2c1cccc2 62a_200000210301_100000182872 [0,2,0,0,0,0|1,1,0]=4 3170 B17R2.322318 N#CCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100011214920 [0,2,0,0,0,0|1,0,0]=3 3171 B17R2.322318 N#CCC(=O)Cc1cccc2c1cccc2 1458a_100051588842_100000188474 [0,2,0,0,0,0|1,0,0]=3 3172 B17R2.322318 N#CCC(=O)Cc1cccc2c1ccnc2 1458a_100051588842_100016989825 [0,2,0,0,0,0|2,0,0]=4 3173 B17R2.322318 N#CCC(=O)Cc1cccc2c1nccc2 1458a_100051588842_100000241032 [0,2,0,0,0,0|2,0,0]=4 3174 B17R2.322318 N#CCC(=O)Cc1ccnc2c1cccc2 1458a_100051588842_100015192512 [0,2,0,0,0,0|2,0,0]=4 3175 B17R2.322318 N#CCC(=O)Cc1nccc2c1cccc2 1458a_100051588842_100000033776 [0,2,0,0,0,0|2,0,0]=4 3176 B17R2.322318 N#CCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100051588842 [0,2,0,0,0,0|2,0,0]=4 3177 B17R2.322318 N#CCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100051588842 [0,2,0,0,0,0|2,0,0]=4 3178 B17R2.322318 O=C(C=CBr)Cc1cccc2c1cccc2 1458a_100016273825_100000188474 [0,2,0,0,0,0|1,0,0]=3 3179 B17R2.322318 O=C(C=CBr)Cc1cccc2c1ccnc2 1458a_100016273825_100016989825 [0,2,0,0,0,0|2,0,0]=4 3180 B17R2.322318 O=C(C=CBr)Cc1cccc2c1nccc2 1458a_100016273825_100000241032 [0,2,0,0,0,0|2,0,0]=4 3181 B17R2.322318 O=C(C=CBr)Cc1ccnc2c1cccc2 1458a_100016273825_100015192512 [0,2,0,0,0,0|2,0,0]=4 3182 B17R2.322318 O=C(C=CBr)Cc1nccc2c1cccc2 1458a_100016273825_100000033776 [0,2,0,0,0,0|2,0,0]=4 3183 B17R2.322318 O=C(C=CBr)Nc1cccc2c1cccc2 1626a_100000185869_100016273825 [0,2,0,0,0,0|2,0,0]=4 3184 B17R2.322318 O=C(C=CCl)Cc1cccc2c1cccc2 1458a_200016279998_100000188474 [0,2,0,0,0,0|1,0,0]=3 3185 B17R2.322318 O=C(C=CCl)Cc1cccc2c1ccnc2 1458a_200016279998_100016989825 [0,2,0,0,0,0|2,0,0]=4 3186 B17R2.322318 O=C(C=CCl)Cc1cccc2c1nccc2 1458a_200016279998_100000241032 [0,2,0,0,0,0|2,0,0]=4 3187 B17R2.322318 O=C(C=CCl)Cc1ccnc2c1cccc2 1458a_200016279998_100015192512 [0,2,0,0,0,0|2,0,0]=4 3188 B17R2.322318 O=C(C=CCl)Cc1nccc2c1cccc2 1458a_200016279998_100000033776 [0,2,0,0,0,0|2,0,0]=4 3189 B17R2.322318 O=C(C=CCl)Nc1cccc2c1cccc2 11a_100000185869_200016279998 [0,2,0,0,0,0|2,0,0]=4 3190 B17R2.322318 O=C(C=CCl)Nc1cccc2c1cccc2 1626a_100000185869_200016279998 [0,2,0,0,0,0|2,0,0]=4 3191 B17R2.322318 O=C(C=CI)Cc1cccc2c1cccc2 1458a_100016256311_100000188474 [0,2,0,0,0,0|1,0,0]=3 3192 B17R2.322318 O=C(C=CI)Cc1cccc2c1ccnc2 1458a_100016256311_100016989825 [0,2,0,0,0,0|2,0,0]=4 3193 B17R2.322318 O=C(C=CI)Cc1cccc2c1nccc2 1458a_100016256311_100000241032 [0,2,0,0,0,0|2,0,0]=4 3194 B17R2.322318 O=C(C=CI)Cc1ccnc2c1cccc2 1458a_100016256311_100015192512 [0,2,0,0,0,0|2,0,0]=4 3195 B17R2.322318 O=C(C=CI)Cc1nccc2c1cccc2 1458a_100016256311_100000033776 [0,2,0,0,0,0|2,0,0]=4 3196 B17R2.322318 O=C(C=CI)Nc1cccc2c1cccc2 1626a_100000185869_100016256311 [0,2,0,0,0,0|2,0,0]=4 3197 B17R2.322318 O=C(CCF)Cc1cccc2c1cccc2 1458a_100000186155_100011217306 [0,2,0,0,0,0|1,0,0]=3 3198 B17R2.322318 O=C(CCO)Cc1cccc2c1cccc2 1458a_100000186155_100000211926 [0,2,0,0,0,0|0,0,0]=2 3199 B17R2.322318 O=C(CCO)Cc1cccc2c1cccc2 1458a_100011216618_100000188474 [0,2,0,0,0,0|0,0,0]=2 3200 B17R2.322318 O=C(CCO)Cc1cccc2c1ccnc2 1458a_100011216618_100016989825 [0,2,0,0,0,0|1,0,0]=3 3201 B17R2.322318 O=C(CCO)Cc1cccc2c1nccc2 1458a_100011216618_100000241032 [0,2,0,0,0,0|1,0,0]=3 3202 B17R2.322318 O=C(CCO)Cc1ccnc2c1cccc2 1458a_100011216618_100015192512 [0,2,0,0,0,0|1,0,0]=3 3203 B17R2.322318 O=C(CCO)Cc1nccc2c1cccc2 1458a_100011216618_100000033776 [0,2,0,0,0,0|1,0,0]=3 3204 B17R2.322318 O=C(CCO)Nc1cccc2c1cccc2 22a_100000185869_100011216618 [0,2,0,0,0,0|1,0,0]=3 3205 B17R2.322318 O=C(CCO)Nc1cccc2c1cccn2 22a_100000183906_100011216618 [0,2,0,0,0,0|2,0,0]=4 3206 B17R2.322318 O=C(CCO)Nc1cccc2c1ccnc2 22a_100000210097_100011216618 [0,2,0,0,0,0|2,0,0]=4 3207 B17R2.322318 O=C(CCO)Nc1cccc2c1cncc2 22a_100000065885_100011216618 [0,2,0,0,0,0|2,0,0]=4 3208 B17R2.322318 O=C(CCO)Nc1cccc2c1nccc2 22a_100000181377_100011216618 [0,2,0,0,0,0|2,0,0]=4 3209 B17R2.322318 [13CH3]SCC(=O)Nc1cccc2c1cccc2 62a_200025704644_100000182872 [0,2,0,0,0,0|1,1,0]=4 3210 B17R2.449490 C=CC(=O)N(C)c1cccc2c1cccc2 1626a_100000220138_100000185746 [0,2,0,0,0,0|2,0,0]=4 3211 B17R2.449490 C=CC(=O)N(C)c1cccc2c1cccc2 22a_100000220138_100000185746 [0,2,0,0,0,0|2,0,0]=4 3212 B17R2.449490 CCC(=O)N(C)c1cccc2c1cccc2 11a_100000220138_100000210414 [0,2,0,0,0,0|2,0,0]=4 3213 B17R2.449490 CCC(=O)N(C)c1cccc2c1cccc2 1626a_100000220138_100000210414 [0,2,0,0,0,0|2,0,0]=4 3214 B17R2.449490 CCC(=O)N(C)c1cccc2c1cccc2 22a_100000220138_100000210414 [0,2,0,0,0,0|2,0,0]=4 3215 B17R2.449490 CN(C(=O)CO)c1cccc2c1cccc2 22a_100000220138_100000210174 [0,2,0,0,0,0|1,0,0]=3 3216 B17R2.99719 CCN(C(=O)C)c1cccc2c1cccc2 11a_100000185437_100015343762 [0,2,0,0,0,0|2,0,0]=4 3217 B17R2.99719 CCN(C(=O)C)c1cccc2c1cccc2 1626a_100000185437_100015343762 [0,2,0,0,0,0|2,0,0]=4 3218 B17R2.99719 CNC(C(=O)O)c1cccc2c1cccc2 269956a_100025771476_200000210301 [0,2,0,0,0,0|0,0,0]=2 3219 B17R2.99719 [13CH3]NC(C(=O)O)c1cccc2c1cccc2 269956a_100025771476_200025704644 [0,2,0,0,0,0|0,0,0]=2 3220 B17R2.954612 CC(=O)C(C)(C)c1cccc2c1cccc2 1458a_200011667336_200000210301 [0,2,0,0,0,0|1,0,0]=3 3221 B17R2.954612 CC(C)(C(=O)[13CH3])c1cccc2c1cccc2 1458a_200011667336_200025704644 [0,2,0,0,0,0|1,0,0]=3 3222 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 1458a_100000070787_100009869231 [0,0,1,1,0,0|2,0,0]=4 3223 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000070787_100011216711 [0,0,1,1,0,0|1,0,0]=3 3224 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200000210301 [0,0,1,1,0,0|1,0,0]=3 3225 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 1458a_100000070787_100000737579 [0,0,1,1,0,0|2,0,0]=4 3226 B15R2.1668 CC(=O)Cc1ccc2cnccc2c1 1458a_100000070787_100020605334 [0,0,1,1,0,0|2,0,0]=4 3227 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100000070787_100000703657 [0,0,1,1,0,0|2,0,0]=4 3228 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200000210301 [0,0,1,1,0,0|2,0,0]=4 3229 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100015343762 [0,0,1,1,0,0|2,0,0]=4 3230 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100015343762 [0,0,1,1,0,0|2,0,0]=4 3231 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000070787 [0,0,1,1,0,0|2,0,0]=4 3232 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100103153847 [0,0,1,1,0,0|2,0,0]=4 3233 B15R2.1668 [13CH3]C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200025704644 [0,0,1,1,0,0|1,0,0]=3 3234 B15R2.1668 [13CH3]C(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200025704644 [0,0,1,1,0,0|2,0,0]=4 3235 B15R2.17700 C=CCOc1ccc2c(c1)CC(=O)O2 34a_100000035078_100015514636 [0,0,1,1,0,0|1,0,1]=4 3236 B15R2.17700 C=CCOc1ccc2c(c1)CC(=O)O2 7a_100000035078_100015514636 [0,0,1,1,0,0|1,0,1]=4 3237 B15R3.1743 c1ccc2c(cccc2c1)C3CC3 271570a_100011220607_100000210605 [1,0,0,1,0,0|1,0,1]=4 3238 B17R3.31 Oc1ccc2c(c1)ccc3c2cccc3 271570a_203496583355_100010174298 [0,0,0,1,0,1|1,0,1]=4 3239 B17R3.1965 c1ccc2c(cccc2c1)NCC3CO3 34a_100000185869_102125554688 [0,0,0,1,0,1|1,0,1]=4 3240 B17R3.1965 c1ccc2c(cccc2c1)OCC3CO3 34a_100000210388_102125554688 [0,0,0,1,0,1|1,0,1]=4 3241 B17R3.1965 c1ccc2c(cccc2c1)OCC3CO3 7a_100000210388_102125554688 [0,0,0,1,0,1|1,0,1]=4 3242 B17R3.1965 c1ccc2c(cccc2c1)OC[C@@H]3CO3 7a_100000210388_100000745022 [0,0,0,1,0,1|1,0,1]=4 3243 B17R3.1965 c1ccc2c(cccc2c1)SCC3CO3 62a_102125554688_100000210605 [0,0,0,1,0,1|1,0,1]=4 3244 B17R3.1965 c1ccc2c(cccc2c1)SC[C@@H]3CO3 62a_100000745022_100000210605 [0,0,0,1,0,1|1,0,1]=4 3245 B17R3.18998 Oc1ccc2ccc3ccccc3c2c1 271570a_203496583355_100010175977 [0,1,0,1,0,0|1,0,1]=4 3246 B13R1.337 CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200000210301 [0,0,1,0,1,0|1,0,0]=3 3247 B13R1.337 [13CH3]C(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200025704644 [0,0,1,0,1,0|1,0,0]=3 3248 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_100000210623_100000734275 [0,0,1,0,1,0|1,0,1]=4 3249 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_202125556159_100000210623 [0,0,1,0,1,0|1,0,1]=4 3250 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,0,0,0,2,0|1,0,1]=4 3251 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,0,0,0,2,0|1,0,1]=4 3252 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,0,0,0,2,0|1,0,1]=4 3253 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,0,0,0,2,0|1,0,1]=4 3254 B13R2.5569 CC(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200000210301 [0,0,0,0,2,0|2,0,0]=4 3255 B13R2.5569 CC(=O)c1cccc2c1cc[nH]2 1458a_100000740066_200000210301 [0,0,0,0,2,0|2,0,0]=4 3256 B13R2.5569 CC(=O)c1cccc2c1cco2 1458a_100000045549_200000210301 [0,0,0,0,2,0|2,0,0]=4 3257 B13R2.5569 CC(=O)c1cccc2c1ccs2 1458a_100000046219_200000210301 [0,0,0,0,2,0|2,0,0]=4 3258 B13R2.5569 CC(=O)c1cccc2c1occ2 1458a_100000098497_200000210301 [0,0,0,0,2,0|2,0,0]=4 3259 B13R2.5569 CC(=O)c1cccc2c1scc2 1458a_100000766736_200000210301 [0,0,0,0,2,0|2,0,0]=4 3260 B13R2.5569 [13CH3]C(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200025704644 [0,0,0,0,2,0|2,0,0]=4 3261 B13R2.5569 [13CH3]C(=O)c1cccc2c1cc[nH]2 1458a_100000740066_200025704644 [0,0,0,0,2,0|2,0,0]=4 3262 B13R2.5569 [13CH3]C(=O)c1cccc2c1cco2 1458a_100000045549_200025704644 [0,0,0,0,2,0|2,0,0]=4 3263 B13R2.5569 [13CH3]C(=O)c1cccc2c1ccs2 1458a_100000046219_200025704644 [0,0,0,0,2,0|2,0,0]=4 3264 B13R2.5569 [13CH3]C(=O)c1cccc2c1occ2 1458a_100000098497_200025704644 [0,0,0,0,2,0|2,0,0]=4 3265 B13R2.5569 [13CH3]C(=O)c1cccc2c1scc2 1458a_100000766736_200025704644 [0,0,0,0,2,0|2,0,0]=4 3266 B15R1.504 O=C(O)CONC/C=C/c1ccccc1 269956a_100000106656_100016265936 [0,0,1,0,0,1|1,0,1]=4 3267 B15R1.1310 C=CCN(CC(=O)O)Cc1ccccc1 269956a_100000744315_100015291786 [0,0,1,0,0,1|1,0,1]=4 3268 B15R1.1310 C=CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210623 [0,0,1,0,0,1|1,0,1]=4 3269 B15R1.86 C=Cc1ccccc1C(=O)OCC(=O)C 271570a_100011290941_201991511838 [0,0,1,0,0,1|2,0,0]=4 3270 B15R1.1145 C=Cc1ccccc1NC(=O)CC(=O)C 271570a_100011290941_200000187717 [0,0,1,0,0,1|2,0,0]=4 3271 B15R1.1145 C=Cc1ccccc1NC(=O)CC(=O)N 22a_100012022501_100134613110 [0,0,1,0,0,1|2,0,0]=4 3272 B17R2.291558 C=C(C)CCNc1cccc2c1cccc2 34a_100000185869_100000730704 [0,0,0,0,0,2|2,0,0]=4 3273 B17R2.291558 C=C(C)CCOc1cccc2c1cccc2 34a_100000210388_100000730704 [0,0,0,0,0,2|2,0,0]=4 3274 B17R2.291558 C=C(C)CCOc1cccc2c1cccc2 7a_100000210388_100000730704 [0,0,0,0,0,2|2,0,0]=4 3275 B17R2.291558 C=C(C)CCSc1cccc2c1cccc2 62a_100000730704_100000210605 [0,0,0,0,0,2|2,0,0]=4 3276 B17R2.291558 C=C(C)CNCc1cccc2c1cccc2 34a_100000753325_100000748629 [0,0,0,0,0,2|2,0,0]=4 3277 B17R2.291558 C=C(C)COCc1cccc2c1cccc2 34a_100000210245_100011261445 [0,0,0,0,0,2|2,0,0]=4 3278 B17R2.291558 C=C(C)COCc1cccc2c1cccc2 34a_100011216843_100000748629 [0,0,0,0,0,2|2,0,0]=4 3279 B17R2.291558 C=C(C)COCc1cccc2c1cccc2 7a_100011216843_100000748629 [0,0,0,0,0,2|2,0,0]=4 3280 B17R2.291558 C=C(C)CSCc1cccc2c1cccc2 62a_100000748629_100000188474 [0,0,0,0,0,2|2,0,0]=4 3281 B17R2.291558 C=C(C)CSCc1cccc2c1cccc2 62a_100011261445_100000211660 [0,0,0,0,0,2|2,0,0]=4 3282 B17R2.291558 C=C(F)CNCc1cccc2c1cccc2 34a_100000753325_100009893438 [0,0,0,0,0,2|2,0,0]=4 3283 B17R2.291558 C=C(F)COCc1cccc2c1cccc2 34a_100011216843_100009893438 [0,0,0,0,0,2|2,0,0]=4 3284 B17R2.291558 C=C(F)COCc1cccc2c1cccc2 34a_200010262243_100011261445 [0,0,0,0,0,2|2,0,0]=4 3285 B17R2.291558 C=C(F)COCc1cccc2c1cccc2 7a_100011216843_100000042424 [0,0,0,0,0,2|2,0,0]=4 3286 B17R2.291558 C=C(F)CSCc1cccc2c1cccc2 62a_100000042424_100000188474 [0,0,0,0,0,2|2,0,0]=4 3287 B17R2.291558 C=C(F)CSCc1cccc2c1cccc2 62a_100011261445_100000042424 [0,0,0,0,0,2|2,0,0]=4 3288 B17R2.291558 CC(=CCNc1cccc2c1cccc2)C 34a_100000185869_100000761012 [0,0,0,0,0,2|2,0,0]=4 3289 B17R2.291558 CC(=CCOc1cccc2c1cccc2)C 34a_100000210388_100000761012 [0,0,0,0,0,2|2,0,0]=4 3290 B17R2.291558 CC(=CCOc1cccc2c1cccc2)C 7a_100000210388_100000761012 [0,0,0,0,0,2|2,0,0]=4 3291 B17R2.291558 CC(=CCSc1cccc2c1cccc2)C 62a_100000761012_100000210605 [0,0,0,0,0,2|2,0,0]=4 3292 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 1458a_100000070787_100000745918 [0,0,0,0,0,2|1,0,0]=3 3293 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 1458a_100000737181_200000210301 [0,0,0,0,0,2|1,0,0]=3 3294 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000053229 [0,0,0,0,0,2|1,0,0]=3 3295 B17R2.291558 CC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000053229 [0,0,0,0,0,2|2,0,0]=4 3296 B17R2.291558 CC(=O)CCSc1cccc2c1cccc2 62a_100000053229_100000210605 [0,0,0,0,0,2|1,0,0]=3 3297 B17R2.291558 CC(=O)CCSc1cccc2c1cccn2 62a_100000053229_100011290932 [0,0,0,0,0,2|2,0,0]=4 3298 B17R2.291558 CC(=O)CCSc1cccc2c1cccn2 62a_100011290932_100000053229 [0,0,0,0,0,2|2,0,0]=4 3299 B17R2.291558 CC(=O)CCSc1cccc2c1ccnc2 62a_100000053229_100000186358 [0,0,0,0,0,2|2,0,0]=4 3300 B17R2.291558 CC(=O)CCSc1cccc2c1ccnc2 62a_100000186358_100000053229 [0,0,0,0,0,2|2,0,0]=4 3301 B17R2.291558 CC(=O)CCSc1cccc2c1cncc2 62a_100000053229_100000685578 [0,0,0,0,0,2|2,0,0]=4 3302 B17R2.291558 CC(=O)CCSc1cccc2c1cncc2 62a_100000685578_100000053229 [0,0,0,0,0,2|2,0,0]=4 3303 B17R2.291558 CC(=O)CCSc1cccc2c1nccc2 62a_100000053229_100011215545 [0,0,0,0,0,2|2,0,0]=4 3304 B17R2.291558 CC(=O)CCSc1ccnc2c1cccc2 62a_100000053229_100011215880 [0,0,0,0,0,2|2,0,0]=4 3305 B17R2.291558 CC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000053229 [0,0,0,0,0,2|2,0,0]=4 3306 B17R2.291558 CC(=O)CCSc1cncc2c1cccc2 62a_100000053229_100000187577 [0,0,0,0,0,2|2,0,0]=4 3307 B17R2.291558 CC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000053229 [0,0,0,0,0,2|2,0,0]=4 3308 B17R2.291558 CC(=O)CCSc1nccc2c1cccc2 62a_100000053229_100011934041 [0,0,0,0,0,2|2,0,0]=4 3309 B17R2.291558 CC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000053229 [0,0,0,0,0,2|2,0,0]=4 3310 B17R2.291558 CC(=O)COCc1cccc2c1cccc2 34a_100000211253_100011261445 [0,0,0,0,0,2|1,0,0]=3 3311 B17R2.291558 CC(=O)COCc1cccc2c1ccnc2 34a_100000211253_100016989825 [0,0,0,0,0,2|2,0,0]=4 3312 B17R2.291558 CC(=O)COCc1cccc2c1nccc2 34a_100000211253_100000241032 [0,0,0,0,0,2|2,0,0]=4 3313 B17R2.291558 CC(=O)COCc1ccnc2c1cccc2 34a_100000211253_100015192512 [0,0,0,0,0,2|2,0,0]=4 3314 B17R2.291558 CC(=O)COCc1nccc2c1cccc2 34a_100000211253_100000033776 [0,0,0,0,0,2|2,0,0]=4 3315 B17R2.291558 CC(=O)CSCc1cccc2c1cccc2 1458a_200000150182_200000210301 [0,0,0,0,0,2|1,0,0]=3 3316 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 11a_100000751862_100015343762 [0,0,0,0,0,2|1,0,0]=3 3317 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 1626a_100000751862_100015343762 [0,0,0,0,0,2|1,0,0]=3 3318 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 240690a_100000751862_100015343762 [0,0,0,0,0,2|1,0,0]=3 3319 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 527a_100000751862_100103153847 [0,0,0,0,0,2|1,0,0]=3 3320 B17R2.291558 CC(=O)NN=Cc1cccc2c1cccc2 4a_100000189765_100000210074 [0,0,0,0,0,2|1,0,1]=4 3321 B17R2.291558 CC(=O)NNCc1cccc2c1cccc2 22a_100025742020_100000070787 [0,0,0,0,0,2|1,0,0]=3 3322 B17R2.291558 CC(=O)OCNc1cccc2c1cccc2 34a_100000185869_100009813279 [0,0,0,0,0,2|1,0,0]=3 3323 B17R2.291558 CC(=O)OCNc1cccc2c1cccn2 34a_100000183906_100009813279 [0,0,0,0,0,2|2,0,0]=4 3324 B17R2.291558 CC(=O)OCNc1cccc2c1nccc2 34a_100000181377_100009813279 [0,0,0,0,0,2|2,0,0]=4 3325 B17R2.291558 CC(=O)OCOc1cccc2c1cccc2 34a_100000210388_100009813279 [0,0,0,0,0,2|1,0,0]=3 3326 B17R2.291558 CC(=O)OCOc1cccc2c1cccn2 34a_100011197808_100009813279 [0,0,0,0,0,2|2,0,0]=4 3327 B17R2.291558 CC(=O)OCOc1cccc2c1ccnc2 34a_100011218533_100009813279 [0,0,0,0,0,2|2,0,0]=4 3328 B17R2.291558 CC(=O)OCOc1cccc2c1cncc2 34a_103624766955_100009813279 [0,0,0,0,0,2|2,0,0]=4 3329 B17R2.291558 CC(=O)OCOc1cccc2c1nccc2 34a_100000056035_100009813279 [0,0,0,0,0,2|2,0,0]=4 3330 B17R2.291558 CC(=O)OCOc1cncc2c1cccc2 34a_100000066178_100009813279 [0,0,0,0,0,2|2,0,0]=4 3331 B17R2.291558 CC(=O)OCOc1nccc2c1cccc2 34a_102531767632_100009813279 [0,0,0,0,0,2|2,0,0]=4 3332 B17R2.291558 CC(=O)OCSc1cccc2c1cccc2 62a_100000076356_100000210605 [0,0,0,0,0,2|1,0,0]=3 3333 B17R2.291558 CC(=O)OCSc1cccc2c1cccn2 62a_100000076356_100011290932 [0,0,0,0,0,2|2,0,0]=4 3334 B17R2.291558 CC(=O)OCSc1cccc2c1cccn2 62a_100011290932_100000076356 [0,0,0,0,0,2|2,0,0]=4 3335 B17R2.291558 CC(=O)OCSc1cccc2c1ccnc2 62a_100000076356_100000186358 [0,0,0,0,0,2|2,0,0]=4 3336 B17R2.291558 CC(=O)OCSc1cccc2c1ccnc2 62a_100000186358_100000076356 [0,0,0,0,0,2|2,0,0]=4 3337 B17R2.291558 CC(=O)OCSc1cccc2c1cncc2 62a_100000076356_100000685578 [0,0,0,0,0,2|2,0,0]=4 3338 B17R2.291558 CC(=O)OCSc1cccc2c1cncc2 62a_100000685578_100000076356 [0,0,0,0,0,2|2,0,0]=4 3339 B17R2.291558 CC(=O)OCSc1cccc2c1nccc2 62a_100000076356_100011215545 [0,0,0,0,0,2|2,0,0]=4 3340 B17R2.291558 CC(=O)OCSc1ccnc2c1cccc2 62a_100000076356_100011215880 [0,0,0,0,0,2|2,0,0]=4 3341 B17R2.291558 CC(=O)OCSc1ccnc2c1cccc2 62a_100011458314_100000076356 [0,0,0,0,0,2|2,0,0]=4 3342 B17R2.291558 CC(=O)OCSc1cncc2c1cccc2 62a_100000076356_100000187577 [0,0,0,0,0,2|2,0,0]=4 3343 B17R2.291558 CC(=O)OCSc1cncc2c1cccc2 62a_100000187577_100000076356 [0,0,0,0,0,2|2,0,0]=4 3344 B17R2.291558 CC(=O)OCSc1nccc2c1cccc2 62a_100000076356_100011934041 [0,0,0,0,0,2|2,0,0]=4 3345 B17R2.291558 CC(=O)OCSc1nccc2c1cccc2 62a_100011934041_100000076356 [0,0,0,0,0,2|2,0,0]=4 3346 B17R2.291558 CC(O)CCNc1cccc2c1cccc2 34a_100000185869_100012276601 [0,0,0,0,0,2|1,0,1]=4 3347 B17R2.291558 CC(O)CCOc1cccc2c1cccc2 34a_100000210388_100012276601 [0,0,0,0,0,2|1,0,1]=4 3348 B17R2.291558 CC(O)CCOc1cccc2c1cccc2 7a_100000210388_100012276601 [0,0,0,0,0,2|1,0,1]=4 3349 B17R2.291558 CC(O)CCSc1cccc2c1cccc2 62a_100012276601_100000210605 [0,0,0,0,0,2|1,0,1]=4 3350 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 207a_100000210904_100000210074 [0,0,0,0,0,2|1,0,1]=4 3351 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 2230a_100000210904_100011261445 [0,0,0,0,0,2|1,0,1]=4 3352 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 270004a_100000210904_100000210074 [0,0,0,0,0,2|1,0,1]=4 3353 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 34a_100000210904_100011261445 [0,0,0,0,0,2|1,0,1]=4 3354 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 34a_100000753325_100011218427 [0,0,0,0,0,2|1,0,1]=4 3355 B17R2.291558 CC(O)COCc1cccc2c1cccc2 34a_100011216843_100011218427 [0,0,0,0,0,2|1,0,1]=4 3356 B17R2.291558 CC(O)COCc1cccc2c1cccc2 7a_100011216843_100011218427 [0,0,0,0,0,2|1,0,1]=4 3357 B17R2.291558 CC(O)CSCc1cccc2c1cccc2 62a_100011218427_100000188474 [0,0,0,0,0,2|1,0,1]=4 3358 B17R2.291558 CC(O)CSCc1cccc2c1cccc2 62a_100011261445_100011218427 [0,0,0,0,0,2|1,0,1]=4 3359 B17R2.291558 C[C@@H](O)CNCc1cccc2c1cccc2 34a_100000753325_100009817552 [0,0,0,0,0,2|1,0,1]=4 3360 B17R2.291558 C[C@@H](O)COCc1cccc2c1cccc2 34a_100011216843_100009817552 [0,0,0,0,0,2|1,0,1]=4 3361 B17R2.291558 C[C@@H](O)COCc1cccc2c1cccc2 7a_100011216843_100009817552 [0,0,0,0,0,2|1,0,1]=4 3362 B17R2.291558 C[C@@H](O)CSCc1cccc2c1cccc2 62a_100009817552_100000188474 [0,0,0,0,0,2|1,0,1]=4 3363 B17R2.291558 C[C@@H](O)CSCc1cccc2c1cccc2 62a_100011261445_100009817552 [0,0,0,0,0,2|1,0,1]=4 3364 B17R2.291558 NC(=O)CCNc1cccc2c1cccc2 34a_100000185869_100000731001 [0,0,0,0,0,2|1,0,0]=3 3365 B17R2.291558 NC(=O)CCNc1cccc2c1cccn2 27a_100000740010_100011290932 [0,0,0,0,0,2|2,0,0]=4 3366 B17R2.291558 NC(=O)CCNc1cccc2c1cccn2 34a_100000183906_100000731001 [0,0,0,0,0,2|2,0,0]=4 3367 B17R2.291558 NC(=O)CCNc1cccc2c1nccc2 34a_100000181377_100000731001 [0,0,0,0,0,2|2,0,0]=4 3368 B17R2.291558 NC(=O)CCNc1ccnc2c1cccc2 27a_100000740010_100011215880 [0,0,0,0,0,2|2,0,0]=4 3369 B17R2.291558 NC(=O)CCNc1nccc2c1cccc2 27a_100000740010_100011934041 [0,0,0,0,0,2|2,0,0]=4 3370 B17R2.291558 NC(=O)CCOc1cccc2c1cccc2 34a_100000210388_100000731001 [0,0,0,0,0,2|1,0,0]=3 3371 B17R2.291558 NC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000744528 [0,0,0,0,0,2|1,0,0]=3 3372 B17R2.291558 NC(=O)CCOc1cccc2c1cccn2 34a_100011197808_100000731001 [0,0,0,0,0,2|2,0,0]=4 3373 B17R2.291558 NC(=O)CCOc1cccc2c1ccnc2 34a_100011218533_100000731001 [0,0,0,0,0,2|2,0,0]=4 3374 B17R2.291558 NC(=O)CCOc1cccc2c1cncc2 34a_103624766955_100000731001 [0,0,0,0,0,2|2,0,0]=4 3375 B17R2.291558 NC(=O)CCOc1cccc2c1nccc2 34a_100000056035_100000731001 [0,0,0,0,0,2|2,0,0]=4 3376 B17R2.291558 NC(=O)CCOc1cncc2c1cccc2 34a_100000066178_100000731001 [0,0,0,0,0,2|2,0,0]=4 3377 B17R2.291558 NC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000744528 [0,0,0,0,0,2|2,0,0]=4 3378 B17R2.291558 NC(=O)CCOc1nccc2c1cccc2 34a_102531767632_100000731001 [0,0,0,0,0,2|2,0,0]=4 3379 B17R2.291558 NC(=O)CCSc1cccc2c1cccc2 62a_100000744528_100000210605 [0,0,0,0,0,2|1,0,0]=3 3380 B17R2.291558 NC(=O)CCSc1cccc2c1cccn2 62a_100000744528_100011290932 [0,0,0,0,0,2|2,0,0]=4 3381 B17R2.291558 NC(=O)CCSc1cccc2c1cccn2 62a_100011290932_100000744528 [0,0,0,0,0,2|2,0,0]=4 3382 B17R2.291558 NC(=O)CCSc1cccc2c1ccnc2 62a_100000186358_100000744528 [0,0,0,0,0,2|2,0,0]=4 3383 B17R2.291558 NC(=O)CCSc1cccc2c1ccnc2 62a_100000744528_100000186358 [0,0,0,0,0,2|2,0,0]=4 3384 B17R2.291558 NC(=O)CCSc1cccc2c1cncc2 62a_100000685578_100000744528 [0,0,0,0,0,2|2,0,0]=4 3385 B17R2.291558 NC(=O)CCSc1cccc2c1cncc2 62a_100000744528_100000685578 [0,0,0,0,0,2|2,0,0]=4 3386 B17R2.291558 NC(=O)CCSc1cccc2c1nccc2 62a_100000744528_100011215545 [0,0,0,0,0,2|2,0,0]=4 3387 B17R2.291558 NC(=O)CCSc1ccnc2c1cccc2 62a_100000744528_100011215880 [0,0,0,0,0,2|2,0,0]=4 3388 B17R2.291558 NC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000744528 [0,0,0,0,0,2|2,0,0]=4 3389 B17R2.291558 NC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000744528 [0,0,0,0,0,2|2,0,0]=4 3390 B17R2.291558 NC(=O)CCSc1cncc2c1cccc2 62a_100000744528_100000187577 [0,0,0,0,0,2|2,0,0]=4 3391 B17R2.291558 NC(=O)CCSc1nccc2c1cccc2 62a_100000744528_100011934041 [0,0,0,0,0,2|2,0,0]=4 3392 B17R2.291558 NC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000744528 [0,0,0,0,0,2|2,0,0]=4 3393 B17R2.291558 NC(=O)CNCc1cccc2c1cccc2 2230a_100000711301_100011261445 [0,0,0,0,0,2|1,0,0]=3 3394 B17R2.291558 NC(=O)CNCc1cccc2c1cccc2 34a_100000753325_100000187820 [0,0,0,0,0,2|1,0,0]=3 3395 B17R2.291558 NC(=O)CNCc1cccc2c1ccnc2 2230a_100000711301_100016989825 [0,0,0,0,0,2|2,0,0]=4 3396 B17R2.291558 NC(=O)CNCc1cccc2c1nccc2 2230a_100000711301_100000241032 [0,0,0,0,0,2|2,0,0]=4 3397 B17R2.291558 NC(=O)CNCc1ccnc2c1cccc2 2230a_100000711301_100015192512 [0,0,0,0,0,2|2,0,0]=4 3398 B17R2.291558 NC(=O)CNCc1nccc2c1cccc2 2230a_100000711301_100000033776 [0,0,0,0,0,2|2,0,0]=4 3399 B17R2.291558 NC(=O)COCc1cccc2c1cccc2 34a_100011216843_100000187820 [0,0,0,0,0,2|1,0,0]=3 3400 B17R2.291558 NC(=O)COCc1cccc2c1cccc2 7a_100011216843_100000187820 [0,0,0,0,0,2|1,0,0]=3 3401 B17R2.291558 NC(=O)COCc1cccc2c1cccn2 34a_100000709871_100000187820 [0,0,0,0,0,2|2,0,0]=4 3402 B17R2.291558 NC(=O)COCc1cccc2c1nccc2 34a_100011303629_100000187820 [0,0,0,0,0,2|2,0,0]=4 3403 B17R2.291558 NC(=O)CSCc1cccc2c1cccc2 62a_100000747473_100000188474 [0,0,0,0,0,2|1,0,0]=3 3404 B17R2.291558 NC(=O)CSCc1cccc2c1cccc2 62a_100011261445_100000747473 [0,0,0,0,0,2|1,0,0]=3 3405 B17R2.291558 NC(=O)CSCc1cccc2c1ccnc2 62a_100000747473_100016989825 [0,0,0,0,0,2|2,0,0]=4 3406 B17R2.291558 NC(=O)CSCc1cccc2c1ccnc2 62a_100016989825_100000747473 [0,0,0,0,0,2|2,0,0]=4 3407 B17R2.291558 NC(=O)CSCc1cccc2c1nccc2 62a_100000747473_100000241032 [0,0,0,0,0,2|2,0,0]=4 3408 B17R2.291558 NC(=O)CSCc1ccnc2c1cccc2 62a_100000747473_100015192512 [0,0,0,0,0,2|2,0,0]=4 3409 B17R2.291558 NC(=O)CSCc1ccnc2c1cccc2 62a_100015192512_100000747473 [0,0,0,0,0,2|2,0,0]=4 3410 B17R2.291558 NC(=O)CSCc1nccc2c1cccc2 62a_100000033776_100000747473 [0,0,0,0,0,2|2,0,0]=4 3411 B17R2.291558 NC(=O)CSCc1nccc2c1cccc2 62a_100000747473_100000033776 [0,0,0,0,0,2|2,0,0]=4 3412 B17R2.291558 O=C(O)CNCc1cccc2c1cccc2 269956a_100016091260_100000188474 [0,0,0,0,0,2|0,0,0]=2 3413 B17R2.291558 O=C(O)CNCc1cccc2c1ccnc2 269956a_100016091260_100016989825 [0,0,0,0,0,2|1,0,0]=3 3414 B17R2.291558 O=C(O)CNCc1cccc2c1nccc2 269956a_100016091260_100000241032 [0,0,0,0,0,2|1,0,0]=3 3415 B17R2.291558 O=C(O)CNCc1ccnc2c1cccc2 269956a_100016091260_100015192512 [0,0,0,0,0,2|1,0,0]=3 3416 B17R2.291558 O=C(O)CNCc1nccc2c1cccc2 269956a_100016091260_100000033776 [0,0,0,0,0,2|1,0,0]=3 3417 B17R2.291558 O=C([O-])CNCc1cccc2c1cccc2 34a_100000753325_100020667443 [0,0,0,0,0,2|0,0,1]=3 3418 B17R2.291558 O=C([O-])COCc1cccc2c1cccc2 34a_100011216843_100020667443 [0,0,0,0,0,2|0,0,1]=3 3419 B17R2.291558 O=C([O-])COCc1cccc2c1cccn2 34a_100000709871_100020667443 [0,0,0,0,0,2|1,0,1]=4 3420 B17R2.291558 O=C([O-])COCc1cccc2c1nccc2 34a_100011303629_100020667443 [0,0,0,0,0,2|1,0,1]=4 3421 B17R2.291558 O=C([O-])CSCc1cccc2c1cccc2 62a_100011261445_100020667443 [0,0,0,0,0,2|0,0,1]=3 3422 B17R2.291558 O=C([O-])CSCc1cccc2c1cccc2 62a_100020667443_100000188474 [0,0,0,0,0,2|0,0,1]=3 3423 B17R2.291558 O=C([O-])CSCc1cccc2c1ccnc2 62a_100016989825_100020667443 [0,0,0,0,0,2|1,0,1]=4 3424 B17R2.291558 O=C([O-])CSCc1cccc2c1ccnc2 62a_100020667443_100016989825 [0,0,0,0,0,2|1,0,1]=4 3425 B17R2.291558 O=C([O-])CSCc1cccc2c1nccc2 62a_100020667443_100000241032 [0,0,0,0,0,2|1,0,1]=4 3426 B17R2.291558 O=C([O-])CSCc1ccnc2c1cccc2 62a_100015192512_100020667443 [0,0,0,0,0,2|1,0,1]=4 3427 B17R2.291558 O=C([O-])CSCc1ccnc2c1cccc2 62a_100020667443_100015192512 [0,0,0,0,0,2|1,0,1]=4 3428 B17R2.291558 O=C([O-])CSCc1nccc2c1cccc2 62a_100000033776_100020667443 [0,0,0,0,0,2|1,0,1]=4 3429 B17R2.291558 O=C([O-])CSCc1nccc2c1cccc2 62a_100020667443_100000033776 [0,0,0,0,0,2|1,0,1]=4 3430 B17R2.291558 O=[N+]([O-])CNCc1cccc2c1cccc2 34a_100000753325_100000761209 [0,0,0,0,0,2|1,0,1]=4 3431 B17R2.291558 O=[N+]([O-])COCc1cccc2c1cccc2 34a_100011216843_100000761209 [0,0,0,0,0,2|1,0,1]=4 3432 B17R2.291558 O=[N+]([O-])CSCc1cccc2c1cccc2 62a_100011261445_100000761209 [0,0,0,0,0,2|1,0,1]=4 3433 B17R2.291558 [13CH3]C(=O)CCOc1cccc2c1cccc2 1458a_100000737181_200025704644 [0,0,0,0,0,2|1,0,0]=3 3434 B17R2.291558 [13CH3]C(=O)CSCc1cccc2c1cccc2 1458a_200000150182_200025704644 [0,0,0,0,0,2|1,0,0]=3