0 B12R1.17 C#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.17 C#CCN(C)c1cccc(c1)O 2230a_100000756613_100000038162 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.17 C#CCN(C)c1cccc(c1)O 34a_100000756613_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,0,0,0,0,0|1,0,3]=4 4 B12R1.17 C=CCN(C)c1cccc(c1)O 2230a_100000756613_100000210623 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.17 C=CCN(C)c1cccc(c1)O 269982a_100000756613_100000210623 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.17 C=CCN(C)c1cccc(c1)O 34a_100000756613_100015514636 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.17 CCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210303 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.17 CCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210303 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.17 CCCN(C)c1cccc(c1)Br 34a_100000219648_100000210303 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.17 CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210303 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.17 CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210303 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.17 CCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210303 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.17 CCCN(C)c1cccc(c1)F 2230a_100020633736_100000210303 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.17 CCCN(C)c1cccc(c1)F 269982a_100020633736_100000210303 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.17 CCCN(C)c1cccc(c1)F 34a_100020633736_100000210303 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.17 CCCN(C)c1cccc(c1)I 2230a_100000221217_100000210303 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.17 CCCN(C)c1cccc(c1)I 269982a_100000221217_100000210303 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.17 CCCN(C)c1cccc(c1)I 34a_100000221217_100000210303 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.17 CCCN(C)c1cccc(c1)O 2230a_100000756613_100000210303 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.17 CCCN(C)c1cccc(c1)O 269982a_100000756613_100000210303 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.17 CCCN(C)c1cccc(c1)O 34a_100000756613_100000210303 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,0,0,0,0,0|2,0,2]=4 32 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,0,0,0,0,0|2,0,2]=4 49 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.17 CN(CC#N)c1cccc(c1)O 2230a_100000756613_100011215382 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.17 CN(CC#N)c1cccc(c1)O 269982a_100000756613_100011214920 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.17 CN(CCF)c1cccc(c1)O 2230a_100000756613_100011217306 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.17 CN(CCF)c1cccc(c1)O 269982a_100000756613_100011217306 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.17 CN(CCF)c1cccc(c1)O 34a_100000756613_100011217306 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.17 CN(CCO)c1cccc(c1)O 2230a_100000756613_100000211926 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.17 CN(CCO)c1cccc(c1)O 269982a_100000756613_100000211926 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.17 CN(CCO)c1cccc(c1)O 34a_100000756613_100000211926 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,0,0,0,0,0|1,0,2]=3 73 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,0,0,0,0,0|1,0,2]=3 74 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,0,0,0,0,0|1,0,2]=3 75 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,0,0,0,0,0|1,0,2]=3 76 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,0,0,0,0,0|1,0,2]=3 77 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,0,0,0,0,0|1,0,2]=3 78 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,0,0,0,0,0|1,0,2]=3 79 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,0,0,0,0,0|1,0,2]=3 80 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,0,0,0,0,0|1,0,2]=3 81 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,0,0,0,0,0|1,0,2]=3 82 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,0,0,0,0,0|1,0,2]=3 83 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,0,0,0,0,0|0,0,2]=2 84 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,0,0,0,0,0|0,0,2]=2 85 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,0,0,0,0,0|0,0,0]=0 86 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,0,0,0,0,0|0,0,0]=0 87 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,0,0,0,0,0|0,0,0]=0 88 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,0,0,0,0,0|2,0,2]=4 89 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,0,0,0,0,0|2,0,2]=4 90 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,0,0,0,0,0|2,0,2]=4 91 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,0,0,0,0,0|2,0,2]=4 92 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,0,0,0,0,0|2,0,2]=4 93 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,0,0,0,0,0|1,0,2]=3 94 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,0,0,0,0,0|2,0,2]=4 95 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,0,0,0,0,0|2,0,2]=4 96 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,0,0,0,0,0|2,0,2]=4 97 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,0,0,0,0,0|2,0,2]=4 98 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,0,0,0,0,0|2,0,2]=4 99 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,0,0,0,0,0|2,0,2]=4 100 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,0,0,0,0,0|2,0,2]=4 101 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,0,0,0,0,0|1,0,2]=3 102 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.17 COCC(N)c1cccc(n1)F 34a_200020642391_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.17 COCN(C)c1cccc(c1)Br 2230a_100000219648_100000766300 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.17 COCN(C)c1cccc(c1)Br 269982a_100000219648_100000766300 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.17 COCN(C)c1cccc(c1)C 2230a_100000219674_100000766300 [0,0,0,0,0,0|4,0,0]=4 107 B12R1.17 COCN(C)c1cccc(c1)C 269982a_100000219674_100000766300 [0,0,0,0,0,0|4,0,0]=4 108 B12R1.17 COCN(C)c1cccc(c1)Cl 2230a_100000220044_100000766300 [0,0,0,0,0,0|4,0,0]=4 109 B12R1.17 COCN(C)c1cccc(c1)Cl 269982a_100000220044_100000766300 [0,0,0,0,0,0|4,0,0]=4 110 B12R1.17 COCN(C)c1cccc(c1)F 2230a_100020633736_100000766300 [0,0,0,0,0,0|4,0,0]=4 111 B12R1.17 COCN(C)c1cccc(c1)F 269982a_100020633736_100000766300 [0,0,0,0,0,0|4,0,0]=4 112 B12R1.17 COCN(C)c1cccc(c1)I 2230a_100000221217_100000766300 [0,0,0,0,0,0|4,0,0]=4 113 B12R1.17 COCN(C)c1cccc(c1)I 269982a_100000221217_100000766300 [0,0,0,0,0,0|4,0,0]=4 114 B12R1.17 COCN(C)c1cccc(c1)O 2230a_100000756613_100000766300 [0,0,0,0,0,0|3,0,0]=3 115 B12R1.17 COCN(C)c1cccc(c1)O 269982a_100000756613_100000766300 [0,0,0,0,0,0|3,0,0]=3 116 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,0,0,0,0,0|3,0,0]=3 117 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [0,0,0,0,0,0|3,0,0]=3 118 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,0,0,0,0,0|2,0,2]=4 120 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,0,0,0,0,0|2,0,2]=4 121 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,0,0,0,0,0|2,0,2]=4 122 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,0,0,0,0,0|2,0,2]=4 123 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,0,0,0,0,0|2,0,2]=4 124 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,0,0,0,0,0|2,0,2]=4 125 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,0,0,0,0,0|2,0,2]=4 126 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,0,0,0,0,0|2,0,2]=4 127 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,0,0,0,0,0|1,0,2]=3 128 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,0,0,0,0,0|1,0,2]=3 129 B12R1.17 CSCN(C)c1cccc(c1)Br 2230a_100000219648_100011218213 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.17 CSCN(C)c1cccc(c1)Br 269982a_100000219648_100011218213 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.17 CSCN(C)c1cccc(c1)Br 34a_100000219648_100011218213 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.17 CSCN(C)c1cccc(c1)C 2230a_100000219674_100011218213 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.17 CSCN(C)c1cccc(c1)C 269982a_100000219674_100011218213 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.17 CSCN(C)c1cccc(c1)C 34a_100000219674_100011218213 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.17 CSCN(C)c1cccc(c1)Cl 2230a_100000220044_100011218213 [0,0,0,0,0,0|4,0,0]=4 136 B12R1.17 CSCN(C)c1cccc(c1)Cl 269982a_100000220044_100011218213 [0,0,0,0,0,0|4,0,0]=4 137 B12R1.17 CSCN(C)c1cccc(c1)Cl 34a_100000220044_100011218213 [0,0,0,0,0,0|4,0,0]=4 138 B12R1.17 CSCN(C)c1cccc(c1)F 2230a_100020633736_100011218213 [0,0,0,0,0,0|4,0,0]=4 139 B12R1.17 CSCN(C)c1cccc(c1)F 269982a_100020633736_100011218213 [0,0,0,0,0,0|4,0,0]=4 140 B12R1.17 CSCN(C)c1cccc(c1)F 34a_100020633736_100011218213 [0,0,0,0,0,0|4,0,0]=4 141 B12R1.17 CSCN(C)c1cccc(c1)I 2230a_100000221217_100011218213 [0,0,0,0,0,0|4,0,0]=4 142 B12R1.17 CSCN(C)c1cccc(c1)I 269982a_100000221217_100011218213 [0,0,0,0,0,0|4,0,0]=4 143 B12R1.17 CSCN(C)c1cccc(c1)I 34a_100000221217_100011218213 [0,0,0,0,0,0|4,0,0]=4 144 B12R1.17 CSCN(C)c1cccc(c1)O 2230a_100000756613_100011218213 [0,0,0,0,0,0|3,0,0]=3 145 B12R1.17 CSCN(C)c1cccc(c1)O 269982a_100000756613_100011218213 [0,0,0,0,0,0|3,0,0]=3 146 B12R1.17 CSCN(C)c1cccc(c1)O 34a_100000756613_100011218213 [0,0,0,0,0,0|3,0,0]=3 147 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,0,0,0,0,0|2,0,2]=4 148 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,0,0,0,0,0|2,0,2]=4 149 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,0,0,0,0,0|3,0,0]=3 150 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [0,0,0,0,0,0|2,0,2]=4 151 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [0,0,0,0,0,0|2,0,2]=4 152 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,0,0,0,0,0|3,0,0]=3 153 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,0,0,0,0,0|2,0,2]=4 154 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,0,0,0,0,0|2,0,2]=4 155 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,0,0,0,0,0|0,0,0]=0 156 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,0,0,0,0,0|0,0,0]=0 157 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,0,0,0,0,0|2,0,2]=4 158 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,0,0,0,0,0|2,0,2]=4 159 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,0,0,0,0,0|2,0,2]=4 160 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [0,0,0,0,0,0|3,0,0]=3 161 B12R1.17 [13CH3]OCC(N)c1cccc(n1)F 34a_200020642391_200025704644 [0,0,0,0,0,0|4,0,0]=4 162 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,0,0,0,0,0|3,0,0]=3 164 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,0,0,0,0,0|2,0,2]=4 165 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,0,0,0,0,0|2,0,2]=4 166 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,0,0,0,0,0|2,0,2]=4 167 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,0,0,0,0,0|2,0,2]=4 168 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,0,0,0,0,0|2,0,2]=4 169 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,0,0,0,0,0|2,0,2]=4 170 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,0,0,0,0,0|1,0,2]=3 171 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,0,0,0,0,0|1,0,2]=3 172 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,0,0,0,0,0|1,0,0]=2 173 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,0,0,0,0,0|1,0,0]=2 174 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,0,0,0,0,0|2,0,0]=3 177 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,0,0,0,0,0|1,0,2]=4 179 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 182 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,0,0,0,0|3,0,0]=4 194 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,0,0,0,0,0|0,0,2]=3 197 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,0,0,0,0,0|1,0,2]=4 198 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,0,0,0,0,0|1,0,2]=4 199 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,0,0,0,0,0|1,0,2]=4 200 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,0,0,0,0,0|1,0,0]=2 201 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,0,0,0,0,0|1,0,0]=2 202 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,0,0,0,0,0|1,0,0]=2 203 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,0,0,0,0,0|1,0,0]=2 204 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,0,0,0,0,0|1,0,0]=2 205 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,0,0,0,0,0|1,0,0]=2 206 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,0,0,0,0,0|0,0,0]=1 207 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,0,0,0,0,0|0,0,0]=1 208 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,0,0,0,0,0|0,0,0]=1 209 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,0,0,0,0,0|0,0,0]=1 210 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,0,0,0,0,0|1,0,0]=2 211 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,0,0,0,0,0|1,0,0]=2 212 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,0,0,0,0,0|0,0,0]=1 213 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,0,0,0,0,0|0,0,0]=1 214 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,0,0,0,0,0|0,0,0]=1 215 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,0,0,0,0,0|1,0,2]=4 216 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,0,0,0,0|2,0,0]=3 217 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,0,0,0,0|2,0,0]=3 218 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,0,0,0,0|2,0,0]=3 219 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,0,0,0,0|1,0,0]=2 220 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,0,0,0,0|1,0,0]=2 225 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,0,0,0,0,0|1,0,2]=4 226 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,0,0,0,0,0|1,0,2]=4 227 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,0,0,0,0,0|2,0,0]=3 229 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,0,0,0,0,0|1,0,0]=2 230 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,0,0,0,0,0|1,0,0]=2 231 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,0,0,0,0,0|2,0,1]=4 235 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,0,0,0,0,0|1,0,0]=2 236 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,0,0,0,0,0|1,0,0]=2 237 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,0,0,0,0,0|0,0,0]=1 238 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,0,0,0,0,0|1,0,0]=2 239 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,0,0,0,0,0|1,0,0]=2 240 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,0,0,0,0|2,0,0]=3 241 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,0,0,0,0,0|1,0,2]=4 243 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,0,0,0,0,0|1,0,2]=4 244 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,0,0,0,0,0|1,0,0]=2 245 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,0,0,0,0,0|1,0,0]=2 246 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,0,0,0,0,0|2,0,1]=4 247 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,0,0,0,0,0|1,0,0]=2 248 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,0,0,0,0,0|1,0,0]=2 249 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [1,0,0,0,0,0|2,0,0]=3 250 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [1,0,0,0,0,0|2,0,0]=3 251 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [1,0,0,0,0,0|1,0,0]=2 253 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [1,0,0,0,0,0|3,0,0]=4 262 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [1,0,0,0,0,0|1,0,2]=4 263 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,0,0,0,0,0|1,0,2]=4 264 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,0,0,0,0,0|1,0,2]=4 265 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,0,0,0,0,0|1,0,2]=4 266 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,0,0,0,0,0|1,0,2]=4 267 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,0,0,0,0,0|1,0,2]=4 268 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,0,0,0,0,0|0,0,2]=3 269 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,0,0,0,0,0|0,0,2]=3 270 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [1,0,0,0,0,0|1,0,2]=4 271 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,0,0,0,0,0|0,0,0]=1 272 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [1,0,0,0,0,0|3,0,0]=4 275 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [1,0,0,0,0,0|3,0,0]=4 288 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [1,0,0,0,0,0|3,0,0]=4 291 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [1,0,0,0,0,0|3,0,0]=4 292 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [1,0,0,0,0,0|3,0,0]=4 293 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [1,0,0,0,0,0|3,0,0]=4 294 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [1,0,0,0,0,0|2,0,0]=3 295 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [1,0,0,0,0,0|2,0,0]=3 296 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [1,0,0,0,0,0|2,0,0]=3 297 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [1,0,0,0,0,0|2,0,0]=3 298 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [1,0,0,0,0,0|2,0,0]=3 299 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [1,0,0,0,0,0|2,0,0]=3 300 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [1,0,0,0,0,0|3,0,0]=4 306 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [1,0,0,0,0,0|2,0,0]=3 308 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [1,0,0,0,0,0|2,0,0]=3 309 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [1,0,0,0,0,0|2,0,0]=3 310 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [1,0,0,0,0,0|1,0,0]=2 311 B11R1.23 CN(CF)c1cccc(c1)O 269982a_100000756613_100015361967 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.23 CN(CF)c1cccc(c1)O 34a_100000756613_100015361967 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [1,0,0,0,0,0|1,0,2]=4 314 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,0,0,0,0,0|1,0,2]=4 315 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,0,0,0,0,0|1,0,2]=4 316 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,0,0,0,0,0|1,0,2]=4 317 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,0,0,0,0,0|1,0,2]=4 318 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,0,0,0,0,0|1,0,2]=4 319 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,0,0,0,0,0|1,0,2]=4 320 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,0,0,0,0,0|1,0,2]=4 321 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,0,0,0,0,0|1,0,2]=4 322 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,0,0,0,0,0|1,0,2]=4 323 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,0,0,0,0,0|1,0,2]=4 324 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,0,0,0,0,0|1,0,2]=4 325 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,0,0,0,0,0|1,0,2]=4 326 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,0,0,0,0,0|1,0,2]=4 327 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,0,0,0,0,0|1,0,2]=4 328 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,0,0,0,0,0|1,0,2]=4 329 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,0,0,0,0,0|1,0,2]=4 330 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,0,0,0,0,0|1,0,2]=4 331 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,0,0,0,0,0|1,0,2]=4 332 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,0,0,0,0,0|1,0,2]=4 333 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,0,0,0,0,0|1,0,2]=4 334 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,0,0,0,0,0|0,0,2]=3 335 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,0,0,0,0,0|0,0,2]=3 336 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,0,0,0,0,0|0,0,2]=3 337 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [1,0,0,0,0,0|1,0,2]=4 338 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [1,0,0,0,0,0|1,0,2]=4 339 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [1,0,0,0,0,0|1,0,2]=4 340 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [1,0,0,0,0,0|3,0,0]=4 341 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [1,0,0,0,0,0|3,0,0]=4 342 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [1,0,0,0,0,0|3,0,0]=4 343 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [1,0,0,0,0,0|3,0,0]=4 344 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [1,0,0,0,0,0|3,0,0]=4 346 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [1,0,0,0,0,0|3,0,0]=4 347 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [1,0,0,0,0,0|2,0,0]=3 349 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [1,0,0,0,0,0|2,0,0]=3 350 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [1,0,0,0,0,0|2,0,0]=3 352 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [1,0,0,0,0,0|2,0,0]=3 353 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [1,0,0,0,0,0|2,0,0]=3 354 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [1,0,0,0,0,0|2,0,0]=3 355 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [1,0,0,0,0,0|1,0,0]=2 356 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [1,0,0,0,0,0|1,0,0]=2 357 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [1,0,0,0,0,0|1,0,0]=2 358 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [1,0,0,0,0,0|3,0,0]=4 360 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [1,0,0,0,0,0|3,0,0]=4 363 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [1,0,0,0,0,0|3,0,0]=4 364 B11R1.23 CNC(C)c1ccnc(c1)Br 269862a_106832991636_100010177706 [1,0,0,0,0,0|3,0,0]=4 365 B11R1.23 CNC(C)c1ccnc(c1)C 269862a_106832991636_100011998260 [1,0,0,0,0,0|3,0,0]=4 366 B11R1.23 CNC(C)c1ccnc(c1)Cl 269862a_106832991636_100000685609 [1,0,0,0,0,0|3,0,0]=4 367 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [1,0,0,0,0,0|3,0,0]=4 368 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [1,0,0,0,0,0|3,0,0]=4 369 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [1,0,0,0,0,0|3,0,0]=4 370 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [1,0,0,0,0,0|3,0,0]=4 371 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [1,0,0,0,0,0|2,0,0]=3 373 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [1,0,0,0,0,0|2,0,0]=3 374 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [1,0,0,0,0,0|2,0,0]=3 375 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [1,0,0,0,0,0|2,0,0]=3 376 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [1,0,0,0,0,0|3,0,0]=4 377 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,0,0,0,0,0|1,0,2]=4 378 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [1,0,0,0,0,0|3,0,0]=4 379 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [1,0,0,0,0,0|3,0,0]=4 383 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [1,0,0,0,0,0|3,0,0]=4 384 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [1,0,0,0,0,0|3,0,0]=4 385 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [1,0,0,0,0,0|3,0,0]=4 386 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [1,0,0,0,0,0|3,0,0]=4 387 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [1,0,0,0,0,0|3,0,0]=4 388 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [1,0,0,0,0,0|3,0,0]=4 389 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [1,0,0,0,0,0|3,0,0]=4 390 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [1,0,0,0,0,0|2,0,0]=3 391 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [1,0,0,0,0,0|2,0,0]=3 392 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [1,0,0,0,0,0|3,0,0]=4 394 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [1,0,0,0,0,0|3,0,0]=4 399 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [1,0,0,0,0,0|2,0,0]=3 400 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [1,0,0,0,0,0|2,0,0]=3 401 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [1,0,0,0,0,0|3,0,0]=4 402 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,0,0,0,0,0|2,0,0]=3 404 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,0,0,0,0,0|0,0,2]=3 405 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,0,0,0,0,0|1,0,2]=4 406 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,0,0,0,0,0|1,0,2]=4 407 B11R1.24 C#CCNc1cccc(c1)O 34a_100000210217_100000184674 [1,0,0,0,0,0|2,0,1]=4 408 B11R1.24 C#CCSc1cccc(c1)O 62a_100000038162_100000211634 [1,0,0,0,0,0|2,0,1]=4 409 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [1,0,0,0,0,0|2,0,1]=4 410 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [1,0,0,0,0,0|2,0,1]=4 411 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,0,0,0,0,0|3,0,0]=4 412 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,0,0,0,0,0|3,0,0]=4 413 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,0,0,0,0,0|3,0,0]=4 414 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,0,0,0,0,0|3,0,0]=4 415 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,0,0,0,0,0|2,0,0]=3 416 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [1,0,0,0,0,0|3,0,0]=4 417 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [1,0,0,0,0,0|3,0,0]=4 418 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,0,0,0,0,0|2,0,1]=4 419 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,0,0,0,0,0|3,0,0]=4 420 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,0,0,0,0,0|2,0,1]=4 421 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,0,0,0,0,0|2,0,1]=4 422 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,0,0,0,0,0|2,0,0]=3 423 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,0,0,0,0,0|2,0,0]=3 424 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,0,0,0,0,0|2,0,0]=3 425 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,0,0,0,0,0|2,0,0]=3 426 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,0,0,0,0,0|2,0,0]=3 427 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,0,0,0,0,0|1,0,0]=2 428 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,0,0,0,0,0|1,0,0]=2 429 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,0,0,0,0,0|1,1,0]=3 430 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,0,0,0,0,0|3,0,0]=4 431 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,0,0,0,0,0|3,0,0]=4 432 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,0,0,0,0,0|3,0,0]=4 433 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,0,0,0,0,0|3,0,0]=4 434 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,0,0,0,0,0|3,0,0]=4 435 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,0,0,0,0,0|3,0,0]=4 436 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,0,0,0,0,0|3,0,0]=4 437 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,0,0,0,0,0|3,0,0]=4 438 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,0,0,0,0,0|3,0,0]=4 439 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,0,0,0,0,0|3,0,0]=4 440 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,0,0,0,0,0|3,0,0]=4 441 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,0,0,0,0,0|3,0,0]=4 442 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,0,0,0,0,0|3,0,0]=4 443 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,0,0,0,0,0|3,0,0]=4 444 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,0,0,0,0,0|2,0,0]=3 445 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [1,0,0,0,0,0|3,0,0]=4 446 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [1,0,0,0,0,0|3,0,0]=4 447 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,0,0,0,0,0|3,0,0]=4 448 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,0,0,0,0,0|3,0,0]=4 449 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,0,0,0,0,0|3,0,0]=4 450 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,0,0,0,0,0|3,0,0]=4 451 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,0,0,0,0,0|3,0,0]=4 452 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,0,0,0,0,0|3,0,0]=4 453 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,0,0,0,0,0|2,0,0]=3 454 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [1,0,0,0,0,0|3,0,0]=4 455 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,0,0,0,0,0|3,0,0]=4 456 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,0,0,0,0,0|3,0,0]=4 457 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,0,0,0,0,0|3,0,0]=4 458 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,0,0,0,0,0|3,0,0]=4 459 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,0,0,0,0,0|3,0,0]=4 460 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,0,0,0,0,0|3,0,0]=4 461 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,0,0,0,0,0|3,0,0]=4 462 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,0,0,0,0,0|3,0,0]=4 463 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,0,0,0,0,0|3,0,0]=4 464 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,0,0,0,0,0|3,0,0]=4 465 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,0,0,0,0,0|3,0,0]=4 466 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,0,0,0,0,0|2,0,0]=3 467 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [1,0,0,0,0,0|3,0,0]=4 468 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [1,0,0,0,0,0|3,0,0]=4 469 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [1,0,0,0,0,0|3,0,0]=4 470 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,0,0,0,0,0|3,0,0]=4 471 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,0,0,0,0,0|3,0,0]=4 472 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,0,0,0,0,0|3,0,0]=4 473 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,0,0,0,0,0|3,0,0]=4 474 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,0,0,0,0,0|3,0,0]=4 475 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,0,0,0,0,0|3,0,0]=4 476 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,0,0,0,0,0|3,0,0]=4 477 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,0,0,0,0,0|3,0,0]=4 478 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,0,0,0,0,0|3,0,0]=4 479 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,0,0,0,0,0|3,0,0]=4 480 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,0,0,0,0,0|2,0,0]=3 481 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,0,0,0,0,0|2,0,0]=3 482 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,0,0,0,0,0|2,1,0]=4 483 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,0,0,0,0,0|2,1,0]=4 484 B11R1.24 CCCSc1cncc(c1)O 62a_100000210303_100000754920 [1,0,0,0,0,0|3,0,0]=4 485 B11R1.24 CCCSc1cncc(c1)O 62a_100000754920_100000210303 [1,0,0,0,0,0|3,0,0]=4 486 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,0,0,0,0,0|3,0,0]=4 487 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,0,0,0,0,0|3,0,0]=4 488 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,0,0,0,0,0|3,0,0]=4 489 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,0,0,0,0,0|3,0,0]=4 490 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,0,0,0,0,0|3,0,0]=4 491 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,0,0,0,0,0|3,0,0]=4 492 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,0,0,0,0,0|3,0,0]=4 493 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,0,0,0,0,0|3,0,0]=4 494 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,0,0,0,0,0|3,0,0]=4 495 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,0,0,0,0,0|3,0,0]=4 496 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,0,0,0,0,0|3,0,0]=4 497 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,0,0,0,0,0|3,0,0]=4 498 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,0,0,0,0,0|3,0,0]=4 499 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,0,0,0,0,0|3,0,0]=4 500 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,0,0,0,0,0|3,0,0]=4 501 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,0,0,0,0,0|3,0,0]=4 502 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,0,0,0,0,0|3,0,0]=4 503 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,0,0,0,0,0|3,0,0]=4 504 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,0,0,0,0,0|3,0,0]=4 505 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,0,0,0,0,0|3,0,0]=4 506 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,0,0,0,0,0|3,0,0]=4 507 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,0,0,0,0,0|3,0,0]=4 508 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,0,0,0,0,0|3,0,0]=4 509 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,0,0,0,0,0|3,0,0]=4 510 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,0,0,0,0,0|3,0,0]=4 511 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,0,0,0,0,0|2,0,0]=3 512 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,0,0,0,0,0|2,0,0]=3 513 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,0,0,0,0,0|2,0,0]=3 514 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,0,0,0,0,0|2,0,0]=3 515 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,0,0,0,0,0|2,0,0]=3 516 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,0,0,0,0,0|2,0,0]=3 517 B11R1.24 CCNCc1ccnc(c1)O 207a_100015525214_100000688113 [1,0,0,0,0,0|3,0,0]=4 518 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [1,0,0,0,0,0|3,0,0]=4 519 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [1,0,0,0,0,0|3,0,0]=4 520 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,0,0,0,0,0|3,0,0]=4 521 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,0,0,0,0,0|3,0,0]=4 522 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,0,0,0,0,0|3,0,0]=4 523 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,0,0,0,0,0|3,0,0]=4 524 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,0,0,0,0,0|3,0,0]=4 525 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,0,0,0,0,0|3,0,0]=4 526 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,0,0,0,0,0|3,0,0]=4 527 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,0,0,0,0,0|3,0,0]=4 528 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,0,0,0,0,0|3,0,0]=4 529 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,0,0,0,0,0|3,0,0]=4 530 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,0,0,0,0,0|3,0,0]=4 531 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,0,0,0,0,0|3,0,0]=4 532 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,0,0,0,0,0|3,0,0]=4 533 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,0,0,0,0,0|3,0,0]=4 534 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,0,0,0,0,0|3,0,0]=4 535 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,0,0,0,0,0|3,0,0]=4 536 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,0,0,0,0,0|2,0,0]=3 537 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,0,0,0,0,0|2,0,0]=3 538 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,0,0,0,0,0|3,0,0]=4 539 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,0,0,0,0,0|3,0,0]=4 540 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,0,0,0,0,0|3,0,0]=4 541 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,0,0,0,0,0|3,0,0]=4 542 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,0,0,0,0,0|3,0,0]=4 543 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,0,0,0,0,0|3,0,0]=4 544 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,0,0,0,0,0|3,0,0]=4 545 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,0,0,0,0,0|3,0,0]=4 546 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,0,0,0,0,0|3,0,0]=4 547 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,0,0,0,0,0|3,0,0]=4 548 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,0,0,0,0,0|2,0,0]=3 549 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,0,0,0,0,0|2,0,0]=3 550 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,0,0,0,0,0|1,0,0]=2 551 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,0,0,0,0,0|1,0,0]=2 552 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,0,0,0,0,0|1,0,0]=2 553 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,0,0,0,0,0|1,0,0]=2 554 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,0,0,0,0,0|1,0,0]=2 555 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,0,0,0,0,0|1,0,0]=2 556 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,0,0,0,0,0|1,0,0]=2 557 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,0,0,0,0,0|1,0,0]=2 558 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,0,0,0,0,0|1,0,0]=2 559 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,0,0,0,0,0|1,0,0]=2 560 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,0,0,0,0,0|1,0,0]=2 561 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,0,0,0,0,0|1,0,0]=2 562 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,0,0,0,0,0|1,0,0]=2 563 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,0,0,0,0,0|1,0,0]=2 564 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,0,0,0,0,0|1,0,0]=2 565 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,0,0,0,0,0|1,0,0]=2 566 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,0,0,0,0,0|1,0,0]=2 567 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,0,0,0,0,0|1,0,0]=2 568 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,0,0,0,0,0|1,0,0]=2 569 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,0,0,0,0,0|1,0,0]=2 570 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,0,0,0,0,0|0,0,0]=1 571 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,0,0,0,0,0|0,0,0]=1 572 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [1,0,0,0,0,0|2,0,0]=3 573 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [1,0,0,0,0,0|2,0,0]=3 574 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,0,0,0,0,0|2,0,0]=3 575 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,0,0,0,0,0|2,0,0]=3 576 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,0,0,0,0,0|2,0,0]=3 577 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,0,0,0,0,0|2,0,0]=3 578 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,0,0,0,0,0|2,0,0]=3 579 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,0,0,0,0,0|2,0,0]=3 580 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,0,0,0,0,0|2,0,0]=3 581 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,0,0,0,0,0|2,0,0]=3 582 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,0,0,0,0,0|2,0,0]=3 583 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,0,0,0,0,0|2,0,0]=3 584 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,0,0,0,0,0|2,0,0]=3 585 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,0,0,0,0,0|2,0,0]=3 586 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,0,0,0,0,0|2,0,0]=3 587 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [1,0,0,0,0,0|3,0,0]=4 588 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [1,0,0,0,0,0|3,0,0]=4 589 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [1,0,0,0,0,0|3,0,0]=4 590 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,0,0,0,0,0|2,0,0]=3 591 B11R1.24 COCSc1cc(ccn1)O 62a_100000766300_100000762945 [1,0,0,0,0,0|3,0,0]=4 592 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [1,0,0,0,0,0|3,0,0]=4 593 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [1,0,0,0,0,0|3,0,0]=4 594 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [1,0,0,0,0,0|3,0,0]=4 595 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [1,0,0,0,0,0|3,0,0]=4 596 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [1,0,0,0,0,0|3,0,0]=4 597 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [1,0,0,0,0,0|3,0,0]=4 598 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [1,0,0,0,0,0|3,0,0]=4 599 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [1,0,0,0,0,0|3,0,0]=4 600 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [1,0,0,0,0,0|3,0,0]=4 601 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [1,0,0,0,0,0|3,0,0]=4 602 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [1,0,0,0,0,0|2,0,0]=3 603 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [1,0,0,0,0,0|2,1,0]=4 604 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [1,0,0,0,0,0|2,1,0]=4 605 B11R1.24 COCSc1cncc(c1)O 62a_100000754920_100000766300 [1,0,0,0,0,0|3,0,0]=4 606 B11R1.24 COCSc1cncc(c1)O 62a_100000766300_100000754920 [1,0,0,0,0,0|3,0,0]=4 607 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,0,0,0,0,0|2,0,0]=3 608 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,0,0,0,0,0|2,0,0]=3 609 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,0,0,0,0,0|2,0,0]=3 610 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,0,0,0,0,0|2,0,0]=3 611 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,0,0,0,0,0|2,0,0]=3 612 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,0,0,0,0,0|2,0,0]=3 613 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,0,0,0,0,0|2,0,0]=3 614 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,0,0,0,0,0|2,0,0]=3 615 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [1,0,0,0,0,0|3,0,0]=4 616 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [1,0,0,0,0,0|3,0,0]=4 617 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [1,0,0,0,0,0|3,0,0]=4 618 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [1,0,0,0,0,0|3,0,0]=4 619 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [1,0,0,0,0,0|3,0,0]=4 620 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [1,0,0,0,0,0|3,0,0]=4 621 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [1,0,0,0,0,0|2,0,0]=3 622 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [1,0,0,0,0,0|3,0,0]=4 623 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,0,0,0,0,0|3,0,0]=4 624 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [1,0,0,0,0,0|3,0,0]=4 625 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [1,0,0,0,0,0|3,0,0]=4 626 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [1,0,0,0,0,0|3,0,0]=4 627 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [1,0,0,0,0,0|3,0,0]=4 628 B11R1.24 CSCSc1cc(ccn1)O 62a_100011218213_100000762945 [1,0,0,0,0,0|3,0,0]=4 629 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [1,0,0,0,0,0|3,0,0]=4 630 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [1,0,0,0,0,0|3,0,0]=4 631 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [1,0,0,0,0,0|3,0,0]=4 632 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [1,0,0,0,0,0|3,0,0]=4 633 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [1,0,0,0,0,0|3,0,0]=4 634 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [1,0,0,0,0,0|3,0,0]=4 635 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [1,0,0,0,0,0|3,0,0]=4 636 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [1,0,0,0,0,0|3,0,0]=4 637 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [1,0,0,0,0,0|3,0,0]=4 638 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [1,0,0,0,0,0|3,0,0]=4 639 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [1,0,0,0,0,0|2,0,0]=3 640 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [1,0,0,0,0,0|2,1,0]=4 641 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [1,0,0,0,0,0|2,1,0]=4 642 B11R1.24 CSCSc1cncc(c1)O 62a_100000754920_100011218213 [1,0,0,0,0,0|3,0,0]=4 643 B11R1.24 CSCSc1cncc(c1)O 62a_100011218213_100000754920 [1,0,0,0,0,0|3,0,0]=4 644 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,0,0,0,0,0|1,0,0]=2 645 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,0,0,0,0,0|1,0,0]=2 646 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,0,0,0,0,0|2,0,0]=3 647 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,0,0,0,0,0|2,0,0]=3 648 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,0,0,0,0,0|2,0,0]=3 649 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,0,0,0,0,0|2,0,0]=3 650 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [1,0,0,0,0,0|2,0,0]=3 651 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [1,0,0,0,0,0|2,0,0]=3 652 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [1,0,0,0,0,0|2,0,0]=3 653 B11R1.24 N#CCOc1cccc(c1)O 271570a_203496583355_200000169433 [1,0,0,0,0,0|3,0,0]=4 654 B11R1.24 N#CCSc1cccc(c1)O 271570a_203496583355_200011756096 [1,0,0,0,0,0|3,0,0]=4 655 B11R1.24 N#CCSc1cccc(c1)O 62a_100011215382_100000211634 [1,0,0,0,0,0|3,0,0]=4 656 B11R1.24 N#CSCc1cccc(c1)O 271570a_203496583355_200010199461 [1,0,0,0,0,0|3,0,0]=4 657 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,0,0,0,0,0|2,0,0]=3 658 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [1,0,0,0,0,0|3,0,0]=4 659 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [1,0,0,0,0,0|3,0,0]=4 660 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [1,0,0,0,0,0|3,0,0]=4 661 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,0,0,0,0,0|2,0,0]=3 662 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [1,0,0,0,0,0|3,0,0]=4 663 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [1,0,0,0,0,0|3,0,0]=4 664 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [1,0,0,0,0,0|3,0,0]=4 665 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [1,0,0,0,0,0|3,0,0]=4 666 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [1,0,0,0,0,0|3,0,0]=4 667 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [1,0,0,0,0,0|3,0,0]=4 668 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [1,0,0,0,0,0|3,0,0]=4 669 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [1,0,0,0,0,0|3,0,0]=4 670 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [1,0,0,0,0,0|3,0,0]=4 671 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,0,0,0,0,0|1,0,0]=2 672 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,0,0,0,0,0|1,0,0]=2 673 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,0,0,0,0,0|1,0,0]=2 674 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,0,0,0,0,0|1,0,0]=2 675 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,0,0,0,0,0|1,0,0]=2 676 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,0,0,0,0,0|1,0,0]=2 677 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,0,0,0,0,0|0,0,0]=1 678 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,0,0,0,0,0|0,0,0]=1 679 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,0,0,0,0,0|2,0,0]=3 680 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,0,0,0,0,0|2,0,0]=3 681 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,0,0,0,0,0|2,0,0]=3 682 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,0,0,0,0,0|2,0,0]=3 683 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,0,0,0,0,0|2,0,0]=3 684 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,0,0,0,0,0|2,0,0]=3 685 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,0,0,0,0,0|2,0,0]=3 686 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [1,0,0,0,0,0|3,0,0]=4 687 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [1,0,0,0,0,0|3,0,0]=4 688 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,0,0,0,0,0|2,0,0]=3 689 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,0,0,0,0,0|2,0,0]=3 690 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,0,0,0,0,0|2,0,0]=3 691 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,0,0,0,0,0|2,0,0]=3 692 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,0,0,0,0,0|2,0,0]=3 693 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,0,0,0,0,0|2,0,0]=3 694 B13R1.2 CCCN(CC)c1cccc(c1)O 2230a_100000717746_100000210303 [0,1,0,0,0,0|3,0,0]=4 695 B13R1.2 CCCN(CC)c1cccc(c1)O 269982a_100000717746_100000210303 [0,1,0,0,0,0|3,0,0]=4 696 B13R1.2 CCCN(CC)c1cccc(c1)O 34a_100000717746_100000210303 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.2 CCN(COC)c1cccc(c1)O 2230a_100000717746_100000766300 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.2 CCN(COC)c1cccc(c1)O 269982a_100000717746_100000766300 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.2 CCN(CSC)c1cccc(c1)O 2230a_100000717746_100011218213 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.2 CCN(CSC)c1cccc(c1)O 269982a_100000717746_100011218213 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.2 CCN(CSC)c1cccc(c1)O 34a_100000717746_100011218213 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.2 CCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210202 [0,1,0,0,0,0|3,0,0]=4 703 B13R1.2 CCNC(CC)c1cccc(c1)O 269862a_100015525214_100011996911 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.2 CCNC(CC)c1cccc(c1)O 34a_100159312145_100000210202 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.2 CCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000210202 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.2 CCNC(CO)c1cccc(c1)Br 34a_100000690078_100000210202 [0,1,0,0,0,0|3,0,0]=4 707 B13R1.2 CCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210202 [0,1,0,0,0,0|2,0,0]=3 708 B13R1.2 CCNC(CO)c1cccc(c1)O 34a_100025717460_100000210202 [0,1,0,0,0,0|2,0,0]=3 709 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000210202 [0,1,0,0,0,0|3,0,0]=4 710 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,1,0,0,0,0|3,0,0]=4 711 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000210202 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000210202 [0,1,0,0,0,0|3,0,0]=4 713 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000210202 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000210202 [0,1,0,0,0,0|3,0,0]=4 715 B13R1.2 CNCC(OC)c1cccc(c1)Br 34a_200000733937_200000210301 [0,1,0,0,0,0|1,0,0]=2 716 B13R1.2 CNCC(O[13CH3])c1cccc(c1)Br 34a_200000733937_200025704644 [0,1,0,0,0,0|1,0,0]=2 717 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200000210301 [0,1,0,0,0,0|3,0,0]=4 718 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200000210301 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.2 OCC(NCF)c1cccc(c1)O 34a_100025717460_100015361967 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200025704644 [0,1,0,0,0,0|3,0,0]=4 721 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200025704644 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.12 CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210303 [0,1,0,0,0,0|1,0,2]=4 723 B13R1.12 CCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210303 [0,1,0,0,0,0|1,0,2]=4 724 B13R1.12 CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210303 [0,1,0,0,0,0|1,0,2]=4 725 B13R1.12 CCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210303 [0,1,0,0,0,0|1,0,2]=4 726 B13R1.12 CCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210303 [0,1,0,0,0,0|1,0,2]=4 727 B13R1.12 CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210303 [0,1,0,0,0,0|1,0,2]=4 728 B13R1.12 CNCC(=O)c1cccc(c1C)I 34a_100102657272_100160470822 [0,1,0,0,0,0|1,0,2]=4 729 B13R1.12 CNCC(=O)c1cccc(c1C)I 7a_106832991635_100160470822 [0,1,0,0,0,0|1,0,2]=4 730 B13R1.12 CNCC(=O)c1cccc(c1F)Br 2230a_106832991635_100012356374 [0,1,0,0,0,0|1,0,2]=4 731 B13R1.12 CNCC(=O)c1cccc(c1F)Br 34a_100102657272_100012356374 [0,1,0,0,0,0|1,0,2]=4 732 B13R1.12 CNCC(=O)c1cccc(c1F)Br 7a_106832991635_100012356374 [0,1,0,0,0,0|1,0,2]=4 733 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 2230a_106832991635_200012351890 [0,1,0,0,0,0|1,0,2]=4 734 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 34a_100102657272_200012351890 [0,1,0,0,0,0|1,0,2]=4 735 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 7a_106832991635_200012351890 [0,1,0,0,0,0|1,0,2]=4 736 B13R1.12 CNNC(=O)c1cccc(c1Br)O 22a_100016993582_100010230362 [0,1,0,0,0,0|1,0,2]=4 737 B13R1.12 CNNC(=O)c1cccc(c1C)O 22a_100016993582_100000766327 [0,1,0,0,0,0|1,0,2]=4 738 B13R1.12 CNNC(=O)c1cccc(c1Cl)O 22a_100016993582_100000092362 [0,1,0,0,0,0|1,0,2]=4 739 B13R1.12 CNNC(=O)c1cccc(c1F)O 22a_100016993582_100000037433 [0,1,0,0,0,0|1,0,2]=4 740 B13R1.12 CNNC(=O)c1cccc(c1I)O 22a_100016993582_100010084636 [0,1,0,0,0,0|1,0,2]=4 741 B13R1.12 CNNC(=O)c1cccc(c1O)O 22a_100016993582_100000690420 [0,1,0,0,0,0|1,0,2]=4 742 B13R1.18 C#CCNC(C)c1cccc(c1)O 2230a_100000740644_100000038162 [0,1,0,0,0,0|2,0,1]=4 743 B13R1.18 C/C=C/CC(=O)c1cccc(c1)O 1458a_100000183914_100102629194 [0,1,0,0,0,0|1,0,2]=4 744 B13R1.18 C/C=C/CN(C)c1cccc(c1)O 269982a_100000756613_100102629194 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.18 C/C=C/CN(C)c1cccc(c1)O 34a_100000756613_100102629194 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.18 C=CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210623 [0,1,0,0,0,0|2,0,1]=4 747 B13R1.18 CC#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000748600 [0,1,0,0,0,0|1,0,2]=4 748 B13R1.18 CC#CCN(C)c1cccc(c1)O 2230a_100000756613_100000748600 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.18 CC#CCN(C)c1cccc(c1)O 34a_100000756613_100000748600 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.18 CC(NCC#N)c1cccc(c1)O 2230a_100000740644_100011215382 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.18 CC(NCC=O)c1cccc(c1)O 2230a_100000740644_200015260668 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.18 CC(NCCF)c1cccc(c1)O 2230a_100000740644_100011217306 [0,1,0,0,0,0|3,0,0]=4 753 B13R1.18 CC(NCCF)c1cccc(c1)O 269862a_100000724931_100000211620 [0,1,0,0,0,0|3,0,0]=4 754 B13R1.18 CC(NCCO)c1cccc(c1)O 2230a_100000740644_100000211926 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.18 CC(NCCO)c1cccc(c1)O 269862a_100000210304_100000211620 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.18 CC=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000070051 [0,1,0,0,0,0|1,0,2]=4 757 B13R1.18 CC=CCN(C)c1cccc(c1)O 2230a_100000756613_100000070051 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.18 CC=CCN(C)c1cccc(c1)O 34a_100000756613_100000070051 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [0,1,0,0,0,0|1,0,2]=4 760 B13R1.18 CCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210211 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.18 CCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210211 [0,1,0,0,0,0|3,0,0]=4 762 B13R1.18 CCCCN(C)c1cccc(c1)O 34a_100000756613_100000210210 [0,1,0,0,0,0|3,0,0]=4 763 B13R1.18 CCCCS(=O)c1cccc(c1)O 271570a_203496583355_200010264433 [0,1,0,0,0,0|2,0,1]=4 764 B13R1.18 CCCNC(=O)c1cccc(c1)O 240690a_100020643023_100000183914 [0,1,0,0,0,0|1,0,2]=4 765 B13R1.18 CCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000152271 [0,1,0,0,0,0|1,0,2]=4 766 B13R1.18 CCCNC(=O)c1cccc(c1)O 527a_100020643023_100000183914 [0,1,0,0,0,0|1,0,2]=4 767 B13R1.18 CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210303 [0,1,0,0,0,0|3,0,0]=4 768 B13R1.18 CCCNC(C)c1cccc(c1)Br 269862a_100020643023_100000210093 [0,1,0,0,0,0|3,0,0]=4 769 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,1,0,0,0,0|3,0,0]=4 770 B13R1.18 CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210303 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.18 CCCNC(C)c1cccc(c1)Cl 269862a_100020643023_200000210964 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.18 CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210303 [0,1,0,0,0,0|3,0,0]=4 773 B13R1.18 CCCNC(C)c1cccc(c1)F 269862a_100020643023_100000187083 [0,1,0,0,0,0|3,0,0]=4 774 B13R1.18 CCCNC(C)c1cccc(c1)I 269862a_100020643023_100011356966 [0,1,0,0,0,0|3,0,0]=4 775 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [0,1,0,0,0,0|2,0,0]=3 776 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [0,1,0,0,0,0|2,0,0]=3 777 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,1,0,0,0,0|3,0,0]=4 778 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,1,0,0,0,0|3,0,0]=4 779 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210303 [0,1,0,0,0,0|3,0,0]=4 780 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210303 [0,1,0,0,0,0|3,0,0]=4 781 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,1,0,0,0,0|3,0,0]=4 782 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,1,0,0,0,0|3,0,0]=4 783 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,1,0,0,0,0|3,0,0]=4 784 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,1,0,0,0,0|3,0,0]=4 785 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,1,0,0,0,0|3,0,0]=4 786 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,1,0,0,0,0|3,0,0]=4 787 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,1,0,0,0,0|3,0,0]=4 788 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,1,0,0,0,0|3,0,0]=4 789 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,1,0,0,0,0|3,0,0]=4 791 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,1,0,0,0,0|3,0,0]=4 792 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,1,0,0,0,0|3,0,0]=4 793 B13R1.18 CCNCC(=O)c1cccc(c1)Br 2230a_100015525214_100000212080 [0,1,0,0,0,0|1,0,2]=4 794 B13R1.18 CCNCC(=O)c1cccc(c1)C 2230a_100015525214_100000739480 [0,1,0,0,0,0|1,0,2]=4 795 B13R1.18 CCNCC(=O)c1cccc(c1)Cl 2230a_100015525214_100000211444 [0,1,0,0,0,0|1,0,2]=4 796 B13R1.18 CCNCC(=O)c1cccc(c1)F 2230a_100015525214_100000215616 [0,1,0,0,0,0|1,0,2]=4 797 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [0,1,0,0,0,0|0,0,0]=1 798 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [0,1,0,0,0,0|0,0,0]=1 799 B13R1.18 CCNN=C(C)c1cccc(c1)O 4a_100000756455_100000211620 [0,1,0,0,0,0|2,0,1]=4 800 B13R1.18 CCNNC(=O)c1cccc(c1)O 22a_100000756455_100000183914 [0,1,0,0,0,0|1,0,2]=4 801 B13R1.18 CCOCC(=O)c1cccc(c1)O 34a_100121572206_100009813753 [0,1,0,0,0,0|1,0,2]=4 802 B13R1.18 CCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210202 [0,1,0,0,0,0|3,0,0]=4 803 B13R1.18 CCOCN(C)c1cccc(c1)O 269982a_100000756613_100000739092 [0,1,0,0,0,0|3,0,0]=4 804 B13R1.18 CCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210202 [0,1,0,0,0,0|3,0,0]=4 805 B13R1.18 CCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210202 [0,1,0,0,0,0|3,0,0]=4 806 B13R1.18 CCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,1,0,0,0,0|3,0,0]=4 807 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100000210202_100009813753 [0,1,0,0,0,0|1,0,2]=4 808 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210202 [0,1,0,0,0,0|1,0,2]=4 809 B13R1.18 CN(CCCF)c1cccc(c1)O 2230a_100000756613_100011934791 [0,1,0,0,0,0|3,0,0]=4 810 B13R1.18 CN(CCCF)c1cccc(c1)O 269982a_100000756613_100011934791 [0,1,0,0,0,0|3,0,0]=4 811 B13R1.18 CN(CCCF)c1cccc(c1)O 34a_100000756613_100011934791 [0,1,0,0,0,0|3,0,0]=4 812 B13R1.18 CN(CCCO)c1cccc(c1)O 2230a_100000756613_100000230001 [0,1,0,0,0,0|3,0,0]=4 813 B13R1.18 CN(CCCO)c1cccc(c1)O 269982a_100000756613_100011215043 [0,1,0,0,0,0|3,0,0]=4 814 B13R1.18 CN(CCCO)c1cccc(c1)O 34a_100000756613_100000230001 [0,1,0,0,0,0|3,0,0]=4 815 B13R1.18 COCCC(=O)c1cccc(c1)O 1458a_100000183914_100000233755 [0,1,0,0,0,0|1,0,2]=4 816 B13R1.18 COCCC(N)c1cccc(c1)Br 34a_200011661555_200000210301 [0,1,0,0,0,0|3,0,0]=4 817 B13R1.18 COCCC(N)c1cccc(c1)C 34a_100011661531_200000210301 [0,1,0,0,0,0|3,0,0]=4 818 B13R1.18 COCCC(N)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.18 COCCC(N)c1cccc(c1)F 34a_100011661530_200000210301 [0,1,0,0,0,0|3,0,0]=4 820 B13R1.18 COCCN(C)c1cccc(c1)O 2230a_100000756613_100011201679 [0,1,0,0,0,0|3,0,0]=4 821 B13R1.18 COCCN(C)c1cccc(c1)O 269982a_100000756613_100000233755 [0,1,0,0,0,0|3,0,0]=4 822 B13R1.18 COCCN(C)c1cccc(c1)O 34a_100000756613_100011201679 [0,1,0,0,0,0|3,0,0]=4 823 B13R1.18 COCNC(C)c1cccc(c1)Br 2230a_100020642005_100000766300 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.18 COCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000766300 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.18 COCNC(C)c1cccc(c1)O 2230a_100000740644_100000766300 [0,1,0,0,0,0|2,0,0]=3 826 B13R1.18 COCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000766300 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.18 COCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000766300 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.18 CSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000751147 [0,1,0,0,0,0|1,0,2]=4 829 B13R1.18 CSCCN(C)c1cccc(c1)O 2230a_100000756613_100000751147 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.18 CSCCN(C)c1cccc(c1)O 269982a_100000756613_100000212216 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.18 CSCCN(C)c1cccc(c1)O 34a_100000756613_100000212216 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.18 CSCNC(C)c1cccc(c1)Br 2230a_100020642005_100011218213 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.18 CSCNC(C)c1cccc(c1)Cl 2230a_100102723534_100011218213 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.18 CSCNC(C)c1cccc(c1)Cl 34a_100102723534_100011218213 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.18 CSCNC(C)c1cccc(c1)O 2230a_100000740644_100011218213 [0,1,0,0,0,0|2,0,0]=3 836 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100011218213 [0,1,0,0,0,0|3,0,0]=4 837 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 34a_100000698126_100011218213 [0,1,0,0,0,0|3,0,0]=4 838 B13R1.18 CSCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100011218213 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.18 CSCN[C@H](C)c1cccc(c1)F 34a_100015193778_100011218213 [0,1,0,0,0,0|3,0,0]=4 840 B13R1.18 CSCOC(C)c1cccc(c1)Br 34a_100000246457_100011218213 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.18 CSCOC(C)c1cccc(c1)C 34a_100000757818_100011218213 [0,1,0,0,0,0|3,0,0]=4 842 B13R1.18 CSCOC(C)c1cccc(c1)F 34a_100000744526_100011218213 [0,1,0,0,0,0|3,0,0]=4 843 B13R1.18 CSCOC(C)c1cccc(c1)I 34a_100013085317_100011218213 [0,1,0,0,0,0|3,0,0]=4 844 B13R1.18 CSCOC(C)c1cccc(c1)N 34a_100011217120_100011218213 [0,1,0,0,0,0|3,0,0]=4 845 B13R1.18 CSCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011218213 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.18 Cc1cccc(c1)C(N)CCO[13CH3] 34a_100011661531_200025704644 [0,1,0,0,0,0|3,0,0]=4 847 B13R1.18 Cc1cccc(c1)[C@H](N)COCF 34a_100009818812_100015361967 [0,1,0,0,0,0|3,0,0]=4 848 B13R1.18 NC(COCF)c1cccc(c1)Br 34a_100000690078_100015361967 [0,1,0,0,0,0|3,0,0]=4 849 B13R1.18 N[C@@H](COCF)c1cccc(c1)Cl 34a_100032004910_100015361967 [0,1,0,0,0,0|3,0,0]=4 850 B13R1.18 N[C@H](COCF)c1cccc(c1)F 34a_100020641251_100015361967 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.18 O=C(CCCF)c1cccc(c1)O 1458a_100000183914_100011934791 [0,1,0,0,0,0|1,0,2]=4 852 B13R1.18 O=C(CCCO)c1cccc(c1)O 1458a_100000183914_100011215043 [0,1,0,0,0,0|1,0,2]=4 853 B13R1.18 O=C(CSCF)c1cccc(c1)O 62a_100009813753_100015361967 [0,1,0,0,0,0|1,0,2]=4 854 B13R1.18 O=C(CSCF)c1cccc(c1)O 62a_100015361967_100009813753 [0,1,0,0,0,0|1,0,2]=4 855 B13R1.18 Oc1cccc(c1)C(O)CNCF 34a_100020657549_100015361967 [0,1,0,0,0,0|0,0,0]=1 856 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Br 34a_200011661555_200025704644 [0,1,0,0,0,0|3,0,0]=4 857 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)F 34a_100011661530_200025704644 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.22 CCC(=O)C(O)c1cccc(c1)C 1458a_100011434945_100000210202 [0,1,0,0,0,0|2,0,1]=4 860 B13R1.22 CCC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000210202 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.22 CCC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210202 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.22 CCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000758301 [0,1,0,0,0,0|1,0,2]=4 863 B13R1.22 CCC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000758301 [0,1,0,0,0,0|3,0,0]=4 864 B13R1.22 CCC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000758301 [0,1,0,0,0,0|3,0,0]=4 865 B13R1.22 CCC(C)N(C)c1cccc(c1)O 34a_100000756613_100011215416 [0,1,0,0,0,0|3,0,0]=4 866 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 11a_106832991635_100000722698 [0,1,0,0,0,0|2,0,1]=4 867 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 1626a_100102657272_100000722698 [0,1,0,0,0,0|2,0,1]=4 868 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 240690a_100102657272_100000722698 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 527a_100102657272_100000722698 [0,1,0,0,0,0|2,0,1]=4 870 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 11a_106832991635_100000762818 [0,1,0,0,0,0|2,0,1]=4 871 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 1626a_100102657272_100000762818 [0,1,0,0,0,0|2,0,1]=4 872 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 240690a_100102657272_100000762818 [0,1,0,0,0,0|2,0,1]=4 873 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 527a_100102657272_100000762818 [0,1,0,0,0,0|2,0,1]=4 874 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 11a_106832991635_100000762896 [0,1,0,0,0,0|2,0,1]=4 875 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 1626a_100102657272_100000762896 [0,1,0,0,0,0|2,0,1]=4 876 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 240690a_100102657272_100000762896 [0,1,0,0,0,0|2,0,1]=4 877 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 527a_100102657272_100000762896 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,1,0,0,0,0|1,0,1]=3 879 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,1,0,0,0,0|1,0,1]=3 880 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,1,0,0,0,0|1,0,1]=3 881 B13R1.22 CNC(=O)N(C)c1cccc(c1)O 512a_100000756613_100102657272 [0,1,0,0,0,0|2,0,1]=4 882 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 11a_106832991635_200009911544 [0,1,0,0,0,0|2,0,1]=4 883 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 1626a_100102657272_200009911544 [0,1,0,0,0,0|2,0,1]=4 884 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 240690a_100102657272_200009911544 [0,1,0,0,0,0|2,0,1]=4 885 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 527a_100102657272_200009911544 [0,1,0,0,0,0|2,0,1]=4 886 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 2230a_106832991635_100012349134 [0,1,0,0,0,0|1,0,2]=4 887 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 34a_100102657272_100012349134 [0,1,0,0,0,0|1,0,2]=4 888 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 7a_106832991635_100012349134 [0,1,0,0,0,0|1,0,2]=4 889 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 2230a_106832991635_100000184413 [0,1,0,0,0,0|1,0,2]=4 890 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 34a_100102657272_100000184413 [0,1,0,0,0,0|1,0,2]=4 891 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 7a_106832991635_100000184413 [0,1,0,0,0,0|1,0,2]=4 892 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 2230a_106832991635_100012356231 [0,1,0,0,0,0|1,0,2]=4 893 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 34a_100102657272_100012356231 [0,1,0,0,0,0|1,0,2]=4 894 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 7a_106832991635_100012356231 [0,1,0,0,0,0|1,0,2]=4 895 B13R1.22 COC(=O)C(C)c1cccc(c1)O 271570a_203496583355_100010077029 [0,1,0,0,0,0|2,0,1]=4 896 B13R1.22 COC(=O)C(N)c1cccc(c1)O 271570a_203496583355_100015207118 [0,1,0,0,0,0|2,0,1]=4 897 B13R1.22 COC(C)N(C)c1cccc(c1)O 269982a_100000756613_100009879195 [0,1,0,0,0,0|3,0,0]=4 898 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)Br 2230a_100000749542_200025704644 [0,1,0,0,0,0|2,0,0]=3 899 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)Cl 2230a_100000747265_200025704644 [0,1,0,0,0,0|2,0,0]=3 900 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)F 2230a_100000757675_200025704644 [0,1,0,0,0,0|2,0,0]=3 901 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)F 34a_100000757675_200025704644 [0,1,0,0,0,0|2,0,0]=3 902 B13R1.30 CC(C)(CO[13CH3])c1cccc(c1)Br 34a_200010233077_200025704644 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.30 CC(C)(CO[13CH3])c1cccc(c1)Br 7a_200010233077_200025704644 [0,1,0,0,0,0|3,0,0]=4 904 B13R1.30 CNCC(C)(C)c1cccc(c1)Br 2230a_100000749542_200000210301 [0,1,0,0,0,0|2,0,0]=3 905 B13R1.30 CNCC(C)(C)c1cccc(c1)Cl 2230a_100000747265_200000210301 [0,1,0,0,0,0|2,0,0]=3 906 B13R1.30 CNCC(C)(C)c1cccc(c1)F 2230a_100000757675_200000210301 [0,1,0,0,0,0|2,0,0]=3 907 B13R1.30 CNCC(C)(C)c1cccc(c1)F 34a_100000757675_200000210301 [0,1,0,0,0,0|2,0,0]=3 908 B13R1.30 COCC(C)(C)c1cccc(c1)Br 34a_200010233077_200000210301 [0,1,0,0,0,0|3,0,0]=4 909 B13R1.30 COCC(C)(C)c1cccc(c1)Br 7a_200010233077_200000210301 [0,1,0,0,0,0|3,0,0]=4 910 B13R1.147 C=C(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000748629 [0,1,0,0,0,0|1,0,2]=4 911 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000748629 [0,1,0,0,0,0|3,0,0]=4 912 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000748629 [0,1,0,0,0,0|3,0,0]=4 913 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 34a_100000756613_100000748629 [0,1,0,0,0,0|3,0,0]=4 914 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,1,0,0,0,0|1,0,2]=4 915 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,1,0,0,0,0|2,0,0]=3 916 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_100015343762 [0,1,0,0,0,0|3,0,0]=4 917 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 527a_100000740644_100103153847 [0,1,0,0,0,0|3,0,0]=4 918 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000210624 [0,1,0,0,0,0|1,0,2]=4 919 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 271570a_203496583355_100000723889 [0,1,0,0,0,0|1,0,2]=4 920 B13R1.147 CC(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000210760 [0,1,0,0,0,0|3,0,0]=4 921 B13R1.147 CC(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000210624 [0,1,0,0,0,0|3,0,0]=4 922 B13R1.147 CC(C)CN(C)c1cccc(c1)O 34a_100000756613_100000210624 [0,1,0,0,0,0|3,0,0]=4 923 B13R1.147 CC(C)C[C@H](N)c1cc(ccn1)O 271570a_100015190218_100000762945 [0,1,0,0,0,0|3,0,0]=4 924 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Br 271570a_100015190218_100000691529 [0,1,0,0,0,0|3,0,0]=4 925 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Cl 271570a_100015190218_100000699651 [0,1,0,0,0,0|3,0,0]=4 926 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)F 271570a_100015190218_100000685547 [0,1,0,0,0,0|3,0,0]=4 927 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)N 271570a_100015190218_100000210019 [0,1,0,0,0,0|3,0,0]=4 928 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [0,1,0,0,0,0|2,0,0]=3 929 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)[S] 271570a_100015190218_114929384022 [0,1,0,0,0,0|2,1,0]=4 930 B13R1.147 CC(C)C[C@H](N)c1cncc(c1)O 271570a_100015190218_100000754920 [0,1,0,0,0,0|3,0,0]=4 931 B13R1.147 CC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000210206 [0,1,0,0,0,0|3,0,0]=4 932 B13R1.147 CC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218427 [0,1,0,0,0,0|1,0,2]=4 933 B13R1.147 CC(O)CN(C)c1cccc(c1)O 2230a_100000756613_100011218427 [0,1,0,0,0,0|3,0,0]=4 934 B13R1.147 CC(O)CN(C)c1cccc(c1)O 269982a_100000756613_100011218427 [0,1,0,0,0,0|3,0,0]=4 935 B13R1.147 CC(O)CN(C)c1cccc(c1)O 34a_100000756613_100011218427 [0,1,0,0,0,0|3,0,0]=4 936 B13R1.147 CN(C)CC(=O)c1cccc(c1)Br 2230a_100102631434_100000212080 [0,1,0,0,0,0|1,0,2]=4 937 B13R1.147 CN(C)CC(=O)c1cccc(c1)Br 269982a_100102631434_100000212080 [0,1,0,0,0,0|1,0,2]=4 938 B13R1.147 CN(C)CC(=O)c1cccc(c1)Cl 2230a_100102631434_100000211444 [0,1,0,0,0,0|1,0,2]=4 939 B13R1.147 CN(C)CC(=O)c1cccc(c1)Cl 269982a_100102631434_100000211444 [0,1,0,0,0,0|1,0,2]=4 940 B13R1.147 CN(C)CC(=O)c1cccc(c1)F 2230a_100102631434_100000215616 [0,1,0,0,0,0|1,0,2]=4 941 B13R1.147 CN(C)CC(=O)c1cccc(c1)F 269982a_100102631434_100000215616 [0,1,0,0,0,0|1,0,2]=4 942 B13R1.147 CN(C)CC(=O)c1cccc(c1)O 269982a_100102631434_100009813753 [0,1,0,0,0,0|0,0,2]=3 943 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [0,1,0,0,0,0|1,0,0]=2 944 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [0,1,0,0,0,0|1,0,0]=2 945 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [0,1,0,0,0,0|0,0,0]=1 946 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [0,1,0,0,0,0|0,0,0]=1 947 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [0,1,0,0,0,0|1,0,0]=2 948 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [0,1,0,0,0,0|1,0,0]=2 949 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [0,1,0,0,0,0|0,0,0]=1 950 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [0,1,0,0,0,0|0,0,0]=1 951 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 2230a_100000756613_100009817552 [0,1,0,0,0,0|3,0,0]=4 952 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 269982a_100000756613_100009817552 [0,1,0,0,0,0|3,0,0]=4 953 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 34a_100000756613_100009817552 [0,1,0,0,0,0|3,0,0]=4 954 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 2230a_100102631434_100000739480 [0,1,0,0,0,0|1,0,2]=4 955 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 269982a_100102631434_100000739480 [0,1,0,0,0,0|1,0,2]=4 956 B13R1.147 Cc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100011215228 [0,1,0,0,0,0|3,0,0]=4 957 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,1,0,0,0,0|2,0,0]=3 958 B13R1.446 CCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210303 [0,1,0,0,0,0|1,0,2]=4 959 B13R1.446 CCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210303 [0,1,0,0,0,0|1,0,2]=4 960 B13R1.446 CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210303 [0,1,0,0,0,0|1,0,2]=4 961 B13R1.446 CCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210303 [0,1,0,0,0,0|1,0,2]=4 962 B13R1.446 CCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210303 [0,1,0,0,0,0|1,0,2]=4 963 B13R1.446 CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210303 [0,1,0,0,0,0|1,0,2]=4 964 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 2230a_106832991635_100012361344 [0,1,0,0,0,0|1,0,2]=4 965 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 34a_100102657272_100012361344 [0,1,0,0,0,0|1,0,2]=4 966 B13R1.446 CNCC(=O)c1cc(ccc1C)C 2230a_106832991635_100000183774 [0,1,0,0,0,0|1,0,2]=4 967 B13R1.446 CNCC(=O)c1cc(ccc1C)C 34a_100102657272_100000183774 [0,1,0,0,0,0|1,0,2]=4 968 B13R1.446 CNCC(=O)c1cc(ccc1C)C 7a_106832991635_100000183774 [0,1,0,0,0,0|1,0,2]=4 969 B13R1.446 CNCC(=O)c1cc(ccc1Cl)Cl 2230a_106832991635_100000183120 [0,1,0,0,0,0|1,0,2]=4 970 B13R1.446 CNCC(=O)c1cc(ccc1Cl)F 34a_100102657272_200010187420 [0,1,0,0,0,0|1,0,2]=4 971 B13R1.446 CNCC(=O)c1cc(ccc1F)F 34a_100102657272_100000211571 [0,1,0,0,0,0|1,0,2]=4 972 B13R1.446 CNCC(=O)c1cc(ccc1F)F 7a_106832991635_100000211571 [0,1,0,0,0,0|1,0,2]=4 973 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 34a_100102657272_200009828000 [0,1,0,0,0,0|1,0,2]=4 974 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 7a_106832991635_200009828000 [0,1,0,0,0,0|1,0,2]=4 975 B13R1.446 CNCC(=O)c1cc(ccc1O)F 34a_100102657272_100009814381 [0,1,0,0,0,0|1,0,2]=4 976 B13R1.446 CNCC(=O)c1cc(ccc1O)F 7a_106832991635_100000047744 [0,1,0,0,0,0|1,0,2]=4 977 B13R1.446 CNCC(=O)c1cc(ccc1O)O 34a_100102657272_100009814097 [0,1,0,0,0,0|0,0,2]=3 978 B13R1.446 CNCC(=O)c1cc(ccc1O)O 7a_106832991635_100009814097 [0,1,0,0,0,0|0,0,2]=3 979 B13R1.446 CNNC(=O)c1cc(ccc1Br)O 22a_100016993582_100012352043 [0,1,0,0,0,0|1,0,2]=4 980 B13R1.446 CNNC(=O)c1cc(ccc1C)O 22a_100016993582_100000687834 [0,1,0,0,0,0|1,0,2]=4 981 B13R1.446 CNNC(=O)c1cc(ccc1Cl)O 22a_100016993582_100000719527 [0,1,0,0,0,0|1,0,2]=4 982 B13R1.446 CNNC(=O)c1cc(ccc1F)O 22a_100016993582_100000037260 [0,1,0,0,0,0|1,0,2]=4 983 B13R1.446 CNNC(=O)c1cc(ccc1I)O 22a_100016993582_200009995701 [0,1,0,0,0,0|1,0,2]=4 984 B13R1.446 COCC(=O)c1cc(ccc1O)O 34a_100138415774_100009814097 [0,1,0,0,0,0|1,0,2]=4 985 B13R1.446 COC[C@@H](N)c1cc(ccc1F)Br 34a_100010142275_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_100009814097_200000210301 [0,1,0,0,0,0|1,0,2]=4 987 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_200000210301_100009814097 [0,1,0,0,0,0|1,0,2]=4 988 B13R1.446 [13CH3]OC[C@@H](N)c1cc(ccc1F)Br 34a_100010142275_200025704644 [0,1,0,0,0,0|3,0,0]=4 989 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_100009814097_200025704644 [0,1,0,0,0,0|1,0,2]=4 990 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_200025704644_100009814097 [0,1,0,0,0,0|1,0,2]=4 991 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210303 [0,1,0,0,0,0|1,0,2]=4 992 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210303 [0,1,0,0,0,0|1,0,2]=4 993 B13R1.450 CCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210303 [0,1,0,0,0,0|1,0,2]=4 994 B13R1.450 CCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210303 [0,1,0,0,0,0|1,0,2]=4 995 B13R1.450 CCNC(C)c1cc(cc(c1)O)C 269862a_100015525214_100009855872 [0,1,0,0,0,0|3,0,0]=4 996 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 2230a_106832991635_200012340517 [0,1,0,0,0,0|1,0,2]=4 997 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 34a_100102657272_200012340517 [0,1,0,0,0,0|1,0,2]=4 998 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 7a_106832991635_200012340517 [0,1,0,0,0,0|1,0,2]=4 999 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 2230a_106832991635_100011216790 [0,1,0,0,0,0|1,0,2]=4 1000 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 34a_100102657272_100011216790 [0,1,0,0,0,0|1,0,2]=4 1001 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 7a_106832991635_100011216790 [0,1,0,0,0,0|1,0,2]=4 1002 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 2230a_106832991635_100010006762 [0,1,0,0,0,0|0,0,2]=3 1003 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 34a_100102657272_100010006762 [0,1,0,0,0,0|0,0,2]=3 1004 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)O 22a_100016993582_100011934545 [0,1,0,0,0,0|1,0,2]=4 1005 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)O 22a_100016993582_100011997059 [0,1,0,0,0,0|1,0,2]=4 1006 B13R1.450 CNNC(=O)c1cc(cc(c1)F)O 22a_100016993582_100012017291 [0,1,0,0,0,0|1,0,2]=4 1007 B13R1.450 CNNC(=O)c1cc(cc(c1)O)C 22a_100016993582_100000094094 [0,1,0,0,0,0|1,0,2]=4 1008 B13R1.450 CNNC(=O)c1cc(cc(c1)O)O 22a_100016993582_100000690292 [0,1,0,0,0,0|1,0,2]=4 1009 B13R1.450 COCC(=O)c1cc(cc(c1)O)O 34a_100138415774_100010006762 [0,1,0,0,0,0|1,0,2]=4 1010 B13R1.450 COCC(N)c1cc(cc(c1)F)F 34a_100012004969_200000210301 [0,1,0,0,0,0|3,0,0]=4 1011 B13R1.450 COC[C@@H](N)c1cc(cc(c1)Br)F 34a_100138412358_200000210301 [0,1,0,0,0,0|3,0,0]=4 1012 B13R1.450 CSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_200000210301 [0,1,0,0,0,0|1,0,2]=4 1013 B13R1.450 CSCC(=O)c1cc(cc(c1)O)O 62a_200000210301_100010006762 [0,1,0,0,0,0|1,0,2]=4 1014 B13R1.450 [13CH3]OCC(N)c1cc(cc(c1)F)F 34a_100012004969_200025704644 [0,1,0,0,0,0|3,0,0]=4 1015 B13R1.450 [13CH3]OC[C@@H](N)c1cc(cc(c1)Br)F 34a_100138412358_200025704644 [0,1,0,0,0,0|3,0,0]=4 1016 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_200025704644 [0,1,0,0,0,0|1,0,2]=4 1017 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)O)O 62a_200025704644_100010006762 [0,1,0,0,0,0|1,0,2]=4 1018 B13R1.460 C=Cc1cccc(c1)C(O)CNC 271570a_100011290941_200000733937 [0,1,0,0,0,0|1,0,0]=2 1019 B13R1.460 CCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210303 [0,1,0,0,0,0|1,0,2]=4 1020 B13R1.460 CCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210303 [0,1,0,0,0,0|1,0,2]=4 1021 B13R1.460 CCCN(C)c1cccc(c1)OC 2230a_100000219725_100000210303 [0,1,0,0,0,0|3,0,0]=4 1022 B13R1.460 CCCN(C)c1cccc(c1)OC 269982a_100000219725_100000210303 [0,1,0,0,0,0|3,0,0]=4 1023 B13R1.460 CCCN(C)c1cccc(c1)OC 34a_100000219725_100000210303 [0,1,0,0,0,0|3,0,0]=4 1024 B13R1.460 CCNC(C)c1cccc(c1)OC 2230a_100000737859_100000210202 [0,1,0,0,0,0|3,0,0]=4 1025 B13R1.460 CCNC(C)c1cccc(c1)OC 269862a_100015525214_100000171656 [0,1,0,0,0,0|3,0,0]=4 1026 B13R1.460 CCOC(C)c1cccc(c1)OC 34a_100000246466_100000210202 [0,1,0,0,0,0|3,0,0]=4 1027 B13R1.460 CCOC(C)c1cccc(c1)OC 7a_100000246466_100000210202 [0,1,0,0,0,0|3,0,0]=4 1028 B13R1.460 CNCC(=O)c1cccc(c1)C#N 2230a_106832991635_100000751541 [0,1,0,0,0,0|1,0,2]=4 1029 B13R1.460 CNCC(=O)c1cccc(c1)C#N 34a_100102657272_100000751541 [0,1,0,0,0,0|1,0,2]=4 1030 B13R1.460 CNCC(=O)c1cccc(c1)C#N 7a_106832991635_100000751541 [0,1,0,0,0,0|1,0,2]=4 1031 B13R1.460 CNCC(=O)c1cccc(c1)OC 34a_100102657272_100000211451 [0,1,0,0,0,0|0,0,2]=3 1032 B13R1.460 CNCC(=O)c1cccc(c1)OC 7a_106832991635_100000211451 [0,1,0,0,0,0|0,0,2]=3 1033 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000210301_200000733937 [0,1,0,0,0,0|0,1,0]=2 1034 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000733937_200000210301 [0,1,0,0,0,0|0,1,0]=2 1035 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200000733937_200025704644 [0,1,0,0,0,0|0,1,0]=2 1036 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200000733937 [0,1,0,0,0,0|0,1,0]=2 1037 B13R1.460 CNC[C@H](O)c1cccc(c1)OC 34a_100009815823_200000210301 [0,1,0,0,0,0|0,0,0]=1 1038 B13R1.460 CNC[C@H](O)c1cccc(c1)O[13CH3] 34a_100009815823_200025704644 [0,1,0,0,0,0|0,0,0]=1 1039 B13R1.460 CNNC(=O)c1cccc(c1)CO 22a_100016993582_100000746274 [0,1,0,0,0,0|1,0,2]=4 1040 B13R1.460 CNNC(=O)c1cccc(c1)OC 22a_100016993582_100000188888 [0,1,0,0,0,0|1,0,2]=4 1041 B13R1.460 COCC(=O)c1cccc(c1)OC 34a_100138415774_100000211451 [0,1,0,0,0,0|1,0,2]=4 1042 B13R1.460 COCC(N)c1cccc(c1)OC 34a_100020589383_200000210301 [0,1,0,0,0,0|2,0,0]=3 1043 B13R1.460 COCN(C)c1cccc(c1)OC 2230a_100000219725_100000766300 [0,1,0,0,0,0|3,0,0]=4 1044 B13R1.460 COCN(C)c1cccc(c1)OC 269982a_100000219725_100000766300 [0,1,0,0,0,0|3,0,0]=4 1045 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_100000211451_200000210301 [0,1,0,0,0,0|1,0,2]=4 1046 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_200000210301_100000211451 [0,1,0,0,0,0|1,0,2]=4 1047 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_100000211451_200025704644 [0,1,0,0,0,0|1,0,2]=4 1048 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000211451 [0,1,0,0,0,0|1,0,2]=4 1049 B13R1.460 COc1cccc(c1)C(N)CO[13CH3] 34a_100020589383_200025704644 [0,1,0,0,0,0|2,0,0]=3 1050 B13R1.460 COc1cccc(c1)N(C)CSC 2230a_100000219725_100011218213 [0,1,0,0,0,0|3,0,0]=4 1051 B13R1.460 COc1cccc(c1)N(C)CSC 269982a_100000219725_100011218213 [0,1,0,0,0,0|3,0,0]=4 1052 B13R1.460 COc1cccc(c1)N(C)CSC 34a_100000219725_100011218213 [0,1,0,0,0,0|3,0,0]=4 1053 B13R1.460 COc1cccc(c1)[C@@H](N)CCO 34a_100025705919_200000210301 [0,1,0,0,0,0|3,0,0]=4 1054 B13R1.460 [13CH3]Oc1cccc(c1)[C@@H](N)CCO 34a_100025705919_200025704644 [0,1,0,0,0,0|3,0,0]=4 1055 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210303 [0,1,0,0,0,0|1,0,2]=4 1056 B13R1.466 CCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210303 [0,1,0,0,0,0|1,0,2]=4 1057 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [0,1,0,0,0,0|1,0,2]=4 1058 B13R1.466 CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210303 [0,1,0,0,0,0|1,0,2]=4 1059 B13R1.466 CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210303 [0,1,0,0,0,0|1,0,2]=4 1060 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [0,1,0,0,0,0|1,0,2]=4 1061 B13R1.466 CCNC(C)c1ccc(c(c1)O)C 269862a_100015525214_100000084092 [0,1,0,0,0,0|3,0,0]=4 1062 B13R1.466 CCNC(C)c1ccc(c(c1)O)F 269862a_100015525214_100000117923 [0,1,0,0,0,0|3,0,0]=4 1063 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 2230a_106832991635_100012346676 [0,1,0,0,0,0|1,0,2]=4 1064 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 34a_100102657272_100012346676 [0,1,0,0,0,0|1,0,2]=4 1065 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 7a_106832991635_100012346676 [0,1,0,0,0,0|1,0,2]=4 1066 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 2230a_106832991635_100011217175 [0,1,0,0,0,0|1,0,2]=4 1067 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 34a_100102657272_100011217175 [0,1,0,0,0,0|1,0,2]=4 1068 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 7a_106832991635_100011217175 [0,1,0,0,0,0|1,0,2]=4 1069 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183365 [0,1,0,0,0,0|1,0,2]=4 1070 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183365 [0,1,0,0,0,0|1,0,2]=4 1071 B13R1.466 CNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991635_200011216723 [0,1,0,0,0,0|1,0,2]=4 1072 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 2230a_106832991635_200012349649 [0,1,0,0,0,0|1,0,2]=4 1073 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 34a_100102657272_200012349649 [0,1,0,0,0,0|1,0,2]=4 1074 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_106832991635_100000211430 [0,1,0,0,0,0|1,0,2]=4 1075 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991635_100000211430 [0,1,0,0,0,0|1,0,2]=4 1076 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 2230a_106832991635_100000757878 [0,1,0,0,0,0|1,0,2]=4 1077 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 34a_100102657272_100000757878 [0,1,0,0,0,0|1,0,2]=4 1078 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 7a_106832991635_100000757878 [0,1,0,0,0,0|1,0,2]=4 1079 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [0,1,0,0,0,0|1,0,2]=4 1080 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 2230a_106832991635_100012361357 [0,1,0,0,0,0|1,0,2]=4 1081 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 34a_100102657272_100012361357 [0,1,0,0,0,0|1,0,2]=4 1082 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 7a_106832991635_100012361357 [0,1,0,0,0,0|1,0,2]=4 1083 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 2230a_106832991635_100011219196 [0,1,0,0,0,0|1,0,2]=4 1084 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 34a_100102657272_100011219196 [0,1,0,0,0,0|1,0,2]=4 1085 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 7a_106832991635_100011219196 [0,1,0,0,0,0|1,0,2]=4 1086 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 2230a_106832991635_100012351892 [0,1,0,0,0,0|1,0,2]=4 1087 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 34a_100102657272_100012351892 [0,1,0,0,0,0|1,0,2]=4 1088 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 7a_106832991635_100012351892 [0,1,0,0,0,0|1,0,2]=4 1089 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 2230a_106832991635_100000183380 [0,1,0,0,0,0|1,0,2]=4 1090 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 34a_100102657272_100000183380 [0,1,0,0,0,0|1,0,2]=4 1091 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 7a_106832991635_100000183380 [0,1,0,0,0,0|1,0,2]=4 1092 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [0,1,0,0,0,0|0,0,2]=3 1093 B13R1.466 CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000210301 [0,1,0,0,0,0|0,0,0]=1 1094 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_106832991635_100000761251 [0,1,0,0,0,0|1,0,0]=2 1095 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100102657272_100000761251 [0,1,0,0,0,0|1,0,0]=2 1096 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 7a_106832991635_100000761251 [0,1,0,0,0,0|1,0,0]=2 1097 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Br 22a_100016993582_100000689001 [0,1,0,0,0,0|1,0,2]=4 1098 B13R1.466 CNNC(=O)c1ccc(c(c1)O)C 22a_100016993582_100000233767 [0,1,0,0,0,0|1,0,2]=4 1099 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Cl 22a_100016993582_100011933997 [0,1,0,0,0,0|1,0,2]=4 1100 B13R1.466 CNNC(=O)c1ccc(c(c1)O)F 22a_100016993582_100000035894 [0,1,0,0,0,0|1,0,2]=4 1101 B13R1.466 CNNC(=O)c1ccc(c(c1)O)I 22a_100016993582_100000239334 [0,1,0,0,0,0|1,0,2]=4 1102 B13R1.466 COCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_200000210301 [0,1,0,0,0,0|3,0,0]=4 1103 B13R1.466 COC[C@@H](O)c1ccc(c(c1)F)F 34a_100138415774_100000761251 [0,1,0,0,0,0|2,0,0]=3 1104 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [0,1,0,0,0,0|1,0,2]=4 1105 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200000210301 [0,1,0,0,0,0|2,0,0]=3 1106 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_200000210301_100000761251 [0,1,0,0,0,0|2,0,0]=3 1107 B13R1.466 [13CH3]NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200025704644 [0,1,0,0,0,0|0,0,0]=1 1108 B13R1.466 [13CH3]OCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_200025704644 [0,1,0,0,0,0|3,0,0]=4 1109 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [0,1,0,0,0,0|1,0,2]=4 1110 B13R1.466 [13CH3]SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200025704644 [0,1,0,0,0,0|2,0,0]=3 1111 B13R1.466 [13CH3]SC[C@@H](O)c1ccc(c(c1)F)F 62a_200025704644_100000761251 [0,1,0,0,0,0|2,0,0]=3 1112 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_100000089523_100000211634 [0,0,0,1,0,0|2,0,1]=4 1113 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_203496583355_200010203063 [0,0,0,1,0,0|2,0,1]=4 1114 B13R2.13 Oc1cccc(c1)C2=CCOC2 271570a_100009872500_100000211634 [0,0,0,1,0,0|2,0,1]=4 1115 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [0,0,0,1,0,0|2,0,0]=3 1116 B13R2.13 Oc1cccc(c1)C2OCCO2 271570a_203496583355_100009813323 [0,0,0,1,0,0|2,0,0]=3 1117 B13R2.13 Oc1cccc(c1)N2CCCC2 271570a_203496583355_100020633440 [0,0,0,1,0,0|3,0,0]=4 1118 B13R2.13 Oc1ccnc(c1)C2OCCO2 271570a_203496583355_100010879467 [0,0,0,1,0,0|3,0,0]=4 1119 B13R2.13 Oc1cncc(c1)C2CCCN2 271570a_203496583355_100012340264 [0,0,0,1,0,0|3,0,0]=4 1120 B13R2.13 Oc1cncc(c1)C2OCCO2 271570a_203496583355_100010134100 [0,0,0,1,0,0|3,0,0]=4 1121 B13R2.162 CC1CCNc2c1cc(cc2)O 271570a_203496583355_200013856564 [0,0,0,1,0,0|3,0,0]=4 1122 B13R2.162 NC1CCCc2c1cc(cc2)O 271570a_203496583355_100011742594 [0,0,0,1,0,0|2,0,0]=3 1123 B13R2.162 NC1CCSc2c1cc(cc2)O 271570a_203496583355_100000744474 [0,0,0,1,0,0|3,0,0]=4 1124 B13R2.162 N[C@H]1CCOc2c1cc(cc2)O 271570a_203496583355_100020639276 [0,0,0,1,0,0|3,0,0]=4 1125 B13R2.162 O=C1CCCc2c1cc(cc2)O 271570a_203496583355_100000760428 [0,0,0,1,0,0|1,0,2]=4 1126 B13R2.162 O=C1COCc2c1cc(cc2)O 271570a_203496583355_100010205901 [0,0,0,1,0,0|1,0,2]=4 1127 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [0,0,0,1,0,0|1,0,0]=2 1128 B13R2.162 Oc1ccc2c(c1)C(CCO2)O 271570a_203496583355_100000760992 [0,0,0,1,0,0|2,0,0]=3 1129 B13R2.342 NC1CCCc2c1cccc2O 271570a_203496583355_100020639248 [0,0,0,1,0,0|2,0,0]=3 1130 B13R2.342 NC1CCOc2c1cccc2O 271570a_203496583355_100000727345 [0,0,0,1,0,0|3,0,0]=4 1131 B13R2.342 O=C1CCCc2c1cccc2O 271570a_203496583355_100000691372 [0,0,0,1,0,0|1,0,2]=4 1132 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [0,0,0,1,0,0|1,0,0]=2 1133 B13R2.3018 Oc1cccc(c1)C2(CCC2)O 271570a_203496583355_200010765678 [0,0,0,1,0,0|1,0,0]=2 1134 B13R2.5187 Cc1ccc2c(c1)c(nn2C)O 271570a_203496583355_100000123007 [0,0,0,1,0,0|2,0,1]=4 1135 B13R2.5187 Cc1nn(c2c1cc(cc2)O)C 271570a_203496583355_100010255089 [0,0,0,1,0,0|2,0,1]=4 1136 B13R2.5187 Cn1nc(c2c1ccc(c2)Br)O 271570a_203496583355_100010161270 [0,0,0,1,0,0|2,0,1]=4 1137 B13R2.5187 Cn1nc(c2c1ccc(c2)F)O 271570a_203496583355_200000123018 [0,0,0,1,0,0|2,0,1]=4 1138 B13R2.5187 Cn1nc(c2c1ccc(c2)N)O 271570a_203496583355_100010234897 [0,0,0,1,0,0|2,0,1]=4 1139 B13R2.5187 Cn1nc(c2c1ccc(c2)O)N 271570a_203496583355_100010240166 [0,0,0,1,0,0|2,0,1]=4 1140 B13R2.5187 Cn1nc(c2c1ccc(c2)O)O 271570a_203496583355_100015481540 [0,0,0,1,0,0|1,0,1]=3 1141 B13R2.5324 C=C(c1cccc(c1)O)C2CC2 271570a_100010895485_100000211634 [0,0,0,1,0,0|2,0,1]=4 1142 B13R2.5324 CN(c1cccc(c1)O)C2CC2 269982a_100000756613_100000211595 [0,0,0,1,0,0|3,0,0]=4 1143 B13R2.5324 CN(c1cccc(c1)O)C2CC2 34a_100000756613_100000211595 [0,0,0,1,0,0|3,0,0]=4 1144 B13R1.20 CC(CC#N)Sc1cccc(c1)O 62a_100009813641_100000211634 [0,0,0,0,0,1|3,0,0]=4 1145 B13R1.20 CC(CCO)Nc1cccc(c1)O 34a_100000210217_100009893172 [0,0,0,0,0,1|3,0,0]=4 1146 B13R1.20 CC(CCO)Sc1cccc(c1)O 62a_100009893172_100000211634 [0,0,0,0,0,1|3,0,0]=4 1147 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [0,0,0,0,0,1|1,0,2]=4 1148 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [0,0,0,0,0,1|1,0,2]=4 1149 B13R1.20 CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211992 [0,0,0,0,0,1|1,0,2]=4 1150 B13R1.20 CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211992 [0,0,0,0,0,1|1,0,2]=4 1151 B13R1.20 CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211992 [0,0,0,0,0,1|1,0,2]=4 1152 B13R1.20 CCCC(C)Nc1cccc(c1)Br 34a_100000210019_100000766640 [0,0,0,0,0,1|3,0,0]=4 1153 B13R1.20 CCCC(C)Nc1cccc(c1)C 2230a_100000188690_100000766640 [0,0,0,0,0,1|3,0,0]=4 1154 B13R1.20 CCCC(C)Nc1cccc(c1)C 34a_100000188690_100000766640 [0,0,0,0,0,1|3,0,0]=4 1155 B13R1.20 CCCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000766640 [0,0,0,0,0,1|3,0,0]=4 1156 B13R1.20 CCCC(C)Nc1cccc(c1)F 34a_100000210047_100000766640 [0,0,0,0,0,1|3,0,0]=4 1157 B13R1.20 CCCC(C)Nc1cccc(c1)I 34a_100000211102_100000766640 [0,0,0,0,0,1|3,0,0]=4 1158 B13R1.20 CCCC(C)Nc1cccc(c1)O 34a_100000210217_100000766640 [0,0,0,0,0,1|2,0,0]=3 1159 B13R1.20 CCCC(C)Oc1cccc(c1)Br 34a_100000210342_100000766640 [0,0,0,0,0,1|3,0,0]=4 1160 B13R1.20 CCCC(C)Oc1cccc(c1)Br 7a_100000210342_100000766640 [0,0,0,0,0,1|3,0,0]=4 1161 B13R1.20 CCCC(C)Oc1cccc(c1)C 34a_100000210337_100000766640 [0,0,0,0,0,1|3,0,0]=4 1162 B13R1.20 CCCC(C)Oc1cccc(c1)C 7a_100000210337_100000766640 [0,0,0,0,0,1|3,0,0]=4 1163 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000766640 [0,0,0,0,0,1|3,0,0]=4 1164 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000766640 [0,0,0,0,0,1|3,0,0]=4 1165 B13R1.20 CCCC(C)Oc1cccc(c1)F 34a_100000210426_100000766640 [0,0,0,0,0,1|3,0,0]=4 1166 B13R1.20 CCCC(C)Oc1cccc(c1)F 7a_100000210426_100000766640 [0,0,0,0,0,1|3,0,0]=4 1167 B13R1.20 CCCC(C)Oc1cccc(c1)I 34a_100000211634_100000766640 [0,0,0,0,0,1|3,0,0]=4 1168 B13R1.20 CCCC(C)Oc1cccc(c1)I 7a_100000211634_100000766640 [0,0,0,0,0,1|3,0,0]=4 1169 B13R1.20 CCCC(C)Oc1cccc(c1)N 34a_100000210217_100000766640 [0,0,0,0,0,1|3,0,0]=4 1170 B13R1.20 CCCC(C)Sc1cc(ccn1)O 62a_100000766640_100000762945 [0,0,0,0,0,1|3,0,0]=4 1171 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000691529_100000766640 [0,0,0,0,0,1|3,0,0]=4 1172 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000766640_100000691529 [0,0,0,0,0,1|3,0,0]=4 1173 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100000766640_100011215228 [0,0,0,0,0,1|3,0,0]=4 1174 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100011215228_100000766640 [0,0,0,0,0,1|3,0,0]=4 1175 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000766640 [0,0,0,0,0,1|3,0,0]=4 1176 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000766640_100000699651 [0,0,0,0,0,1|3,0,0]=4 1177 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000685547_100000766640 [0,0,0,0,0,1|3,0,0]=4 1178 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000766640_100000685547 [0,0,0,0,0,1|3,0,0]=4 1179 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000210019_100000766640 [0,0,0,0,0,1|3,0,0]=4 1180 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000766640_100000210019 [0,0,0,0,0,1|3,0,0]=4 1181 B13R1.20 CCCC(C)Sc1cccc(c1)O 62a_100000766640_100000211634 [0,0,0,0,0,1|2,0,0]=3 1182 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_100000766640_114929384022 [0,0,0,0,0,1|2,1,0]=4 1183 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000766640 [0,0,0,0,0,1|2,1,0]=4 1184 B13R1.20 CCCC(C)Sc1cncc(c1)O 62a_100000754920_100000766640 [0,0,0,0,0,1|3,0,0]=4 1185 B13R1.20 CCCC(C)Sc1cncc(c1)O 62a_100000766640_100000754920 [0,0,0,0,0,1|3,0,0]=4 1186 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210303 [0,0,0,0,0,1|3,0,0]=4 1187 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000747261_100011660834 [0,0,0,0,0,1|3,0,0]=4 1188 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210303 [0,0,0,0,0,1|3,0,0]=4 1189 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000747261_100000084143 [0,0,0,0,0,1|3,0,0]=4 1190 B13R1.20 CCCN(C)Cc1cccc(c1)O 270004a_100000747261_100000188321 [0,0,0,0,0,1|3,0,0]=4 1191 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 2230a_106832991635_100000183509 [0,0,0,0,0,1|1,0,2]=4 1192 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 34a_100102657272_100000183509 [0,0,0,0,0,1|1,0,2]=4 1193 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 7a_106832991635_100000183509 [0,0,0,0,0,1|1,0,2]=4 1194 B13R1.20 CNCC(=O)Nc1cccc(c1)C 2230a_106832991635_100000182861 [0,0,0,0,0,1|1,0,2]=4 1195 B13R1.20 CNCC(=O)Nc1cccc(c1)C 34a_100102657272_100000182861 [0,0,0,0,0,1|1,0,2]=4 1196 B13R1.20 CNCC(=O)Nc1cccc(c1)C 7a_106832991635_100000182861 [0,0,0,0,0,1|1,0,2]=4 1197 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200000210301 [0,0,0,0,0,1|1,0,2]=4 1198 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_106832991635_100000182995 [0,0,0,0,0,1|1,0,2]=4 1199 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 34a_100102657272_100000182995 [0,0,0,0,0,1|1,0,2]=4 1200 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 7a_106832991635_100000182995 [0,0,0,0,0,1|1,0,2]=4 1201 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_100000168492_200000210301 [0,0,0,0,0,1|1,0,2]=4 1202 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_106832991635_100000183335 [0,0,0,0,0,1|1,0,2]=4 1203 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100000168492_200000210301 [0,0,0,0,0,1|1,0,2]=4 1204 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100102657272_100000183335 [0,0,0,0,0,1|1,0,2]=4 1205 B13R1.20 CNCC(=O)Nc1cccc(c1)F 7a_106832991635_100000183335 [0,0,0,0,0,1|1,0,2]=4 1206 B13R1.20 CNCC(=O)Nc1cccc(c1)O 2230a_106832991635_100011236192 [0,0,0,0,0,1|0,0,2]=3 1207 B13R1.20 CNCC(=O)Nc1cccc(c1)O 34a_100102657272_100011236192 [0,0,0,0,0,1|0,0,2]=3 1208 B13R1.20 CNCC(=O)Nc1cccc(c1)O 7a_106832991635_100011236192 [0,0,0,0,0,1|0,0,2]=3 1209 B13R1.20 CNNC(=O)Cc1cccc(c1)O 22a_100016993582_100000745134 [0,0,0,0,0,1|1,0,2]=4 1210 B13R1.20 CNNC(=O)Nc1cccc(c1)O 512a_100000210217_100016993582 [0,0,0,0,0,1|1,0,2]=4 1211 B13R1.20 COCC(=O)Cc1cccc(c1)O 1458a_100000210968_100011660834 [0,0,0,0,0,1|1,0,2]=4 1212 B13R1.20 COCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210968 [0,0,0,0,0,1|1,0,2]=4 1213 B13R1.20 COCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210968 [0,0,0,0,0,1|1,0,2]=4 1214 B13R1.20 COCC(=O)Nc1cccc(c1)O 271570a_203496583355_100000158352 [0,0,0,0,0,1|1,0,2]=4 1215 B13R1.20 COCC(=O)Nc1cccc(c1)O 34a_100138415774_100011236192 [0,0,0,0,0,1|1,0,2]=4 1216 B13R1.20 COCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210968 [0,0,0,0,0,1|1,0,2]=4 1217 B13R1.20 COCC(C)Nc1cccc(c1)Br 34a_100000210019_100000765312 [0,0,0,0,0,1|3,0,0]=4 1218 B13R1.20 COCC(C)Nc1cccc(c1)C 2230a_100000188690_100000765312 [0,0,0,0,0,1|3,0,0]=4 1219 B13R1.20 COCC(C)Nc1cccc(c1)C 34a_100000188690_100000765312 [0,0,0,0,0,1|3,0,0]=4 1220 B13R1.20 COCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000765312 [0,0,0,0,0,1|3,0,0]=4 1221 B13R1.20 COCC(C)Nc1cccc(c1)F 34a_100000210047_100000765312 [0,0,0,0,0,1|3,0,0]=4 1222 B13R1.20 COCC(C)Nc1cccc(c1)I 34a_100000211102_100000765312 [0,0,0,0,0,1|3,0,0]=4 1223 B13R1.20 COCC(C)Nc1cccc(c1)O 34a_100000210217_100000765312 [0,0,0,0,0,1|2,0,0]=3 1224 B13R1.20 COCC(C)Oc1cccc(c1)Br 34a_100000210342_100000765312 [0,0,0,0,0,1|3,0,0]=4 1225 B13R1.20 COCC(C)Oc1cccc(c1)Br 7a_100000210342_100000765312 [0,0,0,0,0,1|3,0,0]=4 1226 B13R1.20 COCC(C)Oc1cccc(c1)C 34a_100000210337_100000765312 [0,0,0,0,0,1|3,0,0]=4 1227 B13R1.20 COCC(C)Oc1cccc(c1)C 7a_100000210337_100000765312 [0,0,0,0,0,1|3,0,0]=4 1228 B13R1.20 COCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000765312 [0,0,0,0,0,1|3,0,0]=4 1229 B13R1.20 COCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000765312 [0,0,0,0,0,1|3,0,0]=4 1230 B13R1.20 COCC(C)Oc1cccc(c1)F 34a_100000210426_100000765312 [0,0,0,0,0,1|3,0,0]=4 1231 B13R1.20 COCC(C)Oc1cccc(c1)F 7a_100000210426_100000765312 [0,0,0,0,0,1|3,0,0]=4 1232 B13R1.20 COCC(C)Oc1cccc(c1)I 34a_100000211634_100000765312 [0,0,0,0,0,1|3,0,0]=4 1233 B13R1.20 COCC(C)Oc1cccc(c1)I 7a_100000211634_100000765312 [0,0,0,0,0,1|3,0,0]=4 1234 B13R1.20 COCC(C)Oc1cccc(c1)N 34a_100000210217_100000765312 [0,0,0,0,0,1|3,0,0]=4 1235 B13R1.20 COCC(C)Sc1cc(ccn1)O 62a_100000765312_100000762945 [0,0,0,0,0,1|3,0,0]=4 1236 B13R1.20 COCC(C)Sc1cccc(c1)Br 62a_100000691529_100000765312 [0,0,0,0,0,1|3,0,0]=4 1237 B13R1.20 COCC(C)Sc1cccc(c1)Br 62a_100000765312_100000691529 [0,0,0,0,0,1|3,0,0]=4 1238 B13R1.20 COCC(C)Sc1cccc(c1)C 62a_100000765312_100011215228 [0,0,0,0,0,1|3,0,0]=4 1239 B13R1.20 COCC(C)Sc1cccc(c1)C 62a_100011215228_100000765312 [0,0,0,0,0,1|3,0,0]=4 1240 B13R1.20 COCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000765312 [0,0,0,0,0,1|3,0,0]=4 1241 B13R1.20 COCC(C)Sc1cccc(c1)Cl 62a_100000765312_100000699651 [0,0,0,0,0,1|3,0,0]=4 1242 B13R1.20 COCC(C)Sc1cccc(c1)F 62a_100000685547_100000765312 [0,0,0,0,0,1|3,0,0]=4 1243 B13R1.20 COCC(C)Sc1cccc(c1)F 62a_100000765312_100000685547 [0,0,0,0,0,1|3,0,0]=4 1244 B13R1.20 COCC(C)Sc1cccc(c1)N 62a_100000210019_100000765312 [0,0,0,0,0,1|3,0,0]=4 1245 B13R1.20 COCC(C)Sc1cccc(c1)N 62a_100000765312_100000210019 [0,0,0,0,0,1|3,0,0]=4 1246 B13R1.20 COCC(C)Sc1cccc(c1)O 62a_100000765312_100000211634 [0,0,0,0,0,1|2,0,0]=3 1247 B13R1.20 COCC(C)Sc1cccc(c1)[S] 62a_100000765312_114929384022 [0,0,0,0,0,1|2,1,0]=4 1248 B13R1.20 COCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000765312 [0,0,0,0,0,1|2,1,0]=4 1249 B13R1.20 COCC(C)Sc1cncc(c1)O 62a_100000754920_100000765312 [0,0,0,0,0,1|3,0,0]=4 1250 B13R1.20 COCC(C)Sc1cncc(c1)O 62a_100000765312_100000754920 [0,0,0,0,0,1|3,0,0]=4 1251 B13R1.20 COCC(N)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,0,0,0,0,1|3,0,0]=4 1252 B13R1.20 COCC(N)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,0,0,0,0,1|3,0,0]=4 1253 B13R1.20 COCC(N)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,0,0,0,0,1|3,0,0]=4 1254 B13R1.20 COCN(C)Cc1cccc(c1)O 2230a_100000207540_100000766300 [0,0,0,0,0,1|3,0,0]=4 1255 B13R1.20 COCN(C)Cc1cccc(c1)O 269982a_100000207540_100000766300 [0,0,0,0,0,1|3,0,0]=4 1256 B13R1.20 CSCC(=O)Cc1cccc(c1)O 1458a_100000184570_100011660834 [0,0,0,0,0,1|1,0,2]=4 1257 B13R1.20 CSCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000184570 [0,0,0,0,0,1|1,0,2]=4 1258 B13R1.20 CSCC(=O)Nc1cccc(c1)O 22a_100000210217_100000184570 [0,0,0,0,0,1|1,0,2]=4 1259 B13R1.20 CSCC(=O)Nc1cccc(c1)O 527a_100000210217_100000184570 [0,0,0,0,0,1|1,0,2]=4 1260 B13R1.20 CSCC(=O)Nc1cccc(c1)O 62a_200000210301_100011236192 [0,0,0,0,0,1|1,0,2]=4 1261 B13R1.20 CSCN(C)Cc1cccc(c1)O 2230a_100000207540_100011218213 [0,0,0,0,0,1|3,0,0]=4 1262 B13R1.20 CSCN(C)Cc1cccc(c1)O 269982a_100000207540_100011218213 [0,0,0,0,0,1|3,0,0]=4 1263 B13R1.20 Cc1cccc(c1)CC(N)CO[13CH3] 34a_100000716799_200025704644 [0,0,0,0,0,1|3,0,0]=4 1264 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200025704644 [0,0,0,0,0,1|1,0,2]=4 1265 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 2230a_100000168492_200025704644 [0,0,0,0,0,1|1,0,2]=4 1266 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 34a_100000168492_200025704644 [0,0,0,0,0,1|1,0,2]=4 1267 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,0,0,0,0,1|3,0,0]=4 1268 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,0,0,0,0,1|3,0,0]=4 1269 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)O 62a_200025704644_100011236192 [0,0,0,0,0,1|1,0,2]=4 1270 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [2,0,0,0,0,0|2,0,0]=4 1271 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [2,0,0,0,0,0|2,0,0]=4 1272 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [2,0,0,0,0,0|2,0,0]=4 1273 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [2,0,0,0,0,0|2,0,0]=4 1274 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [2,0,0,0,0,0|2,0,0]=4 1275 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [2,0,0,0,0,0|0,0,2]=4 1276 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [2,0,0,0,0,0|2,0,0]=4 1277 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1278 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [2,0,0,0,0,0|2,0,0]=4 1279 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1280 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [2,0,0,0,0,0|2,0,0]=4 1281 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1282 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1283 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1284 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1285 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [2,0,0,0,0,0|0,0,2]=4 1286 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 1287 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 1288 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 1289 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [2,0,0,0,0,0|1,0,0]=3 1290 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [2,0,0,0,0,0|1,0,0]=3 1291 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [2,0,0,0,0,0|1,0,0]=3 1292 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [2,0,0,0,0,0|1,0,0]=3 1293 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [2,0,0,0,0,0|2,0,0]=4 1294 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [2,0,0,0,0,0|2,0,0]=4 1295 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [2,0,0,0,0,0|2,0,0]=4 1296 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [2,0,0,0,0,0|2,0,0]=4 1297 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [2,0,0,0,0,0|2,0,0]=4 1298 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [2,0,0,0,0,0|2,0,0]=4 1299 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [2,0,0,0,0,0|1,0,0]=3 1300 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|2,0,0]=4 1301 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|2,0,0]=4 1302 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|2,0,0]=4 1303 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [2,0,0,0,0,0|2,0,0]=4 1304 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [2,0,0,0,0,0|2,0,0]=4 1305 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [2,0,0,0,0,0|1,0,0]=3 1306 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|2,0,0]=4 1307 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|2,0,0]=4 1308 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|1,0,0]=3 1309 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|2,0,0]=4 1310 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|2,0,0]=4 1311 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [2,0,0,0,0,0|2,0,0]=4 1312 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|2,0,0]=4 1313 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|2,0,0]=4 1314 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|2,0,0]=4 1315 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|2,0,0]=4 1316 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|2,0,0]=4 1317 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|2,0,0]=4 1318 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|2,0,0]=4 1319 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|2,0,0]=4 1320 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|2,0,0]=4 1321 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|2,0,0]=4 1322 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|2,0,0]=4 1323 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|2,0,0]=4 1324 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|2,0,0]=4 1325 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|2,0,0]=4 1326 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|2,0,0]=4 1327 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|0,0,0]=2 1328 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|0,0,0]=2 1329 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|0,0,0]=2 1330 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|0,0,0]=2 1331 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|0,0,0]=2 1332 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [2,0,0,0,0,0|1,0,0]=3 1333 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [2,0,0,0,0,0|1,0,0]=3 1334 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [2,0,0,0,0,0|1,0,0]=3 1335 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [2,0,0,0,0,0|1,0,0]=3 1336 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [2,0,0,0,0,0|1,0,0]=3 1337 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [2,0,0,0,0,0|1,0,0]=3 1338 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [2,0,0,0,0,0|1,0,0]=3 1339 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [2,0,0,0,0,0|1,0,0]=3 1340 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 1341 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|1,0,0]=3 1342 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 1343 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [2,0,0,0,0,0|2,0,0]=4 1344 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [2,0,0,0,0,0|2,0,0]=4 1345 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [2,0,0,0,0,0|2,0,0]=4 1346 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|2,0,0]=4 1347 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|2,0,0]=4 1348 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|1,0,0]=3 1349 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|1,0,0]=3 1350 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [2,0,0,0,0,0|2,0,0]=4 1351 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [2,0,0,0,0,0|2,0,0]=4 1352 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [2,0,0,0,0,0|2,0,0]=4 1353 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [2,0,0,0,0,0|2,0,0]=4 1354 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [2,0,0,0,0,0|2,0,0]=4 1355 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [2,0,0,0,0,0|2,0,0]=4 1356 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [2,0,0,0,0,0|2,0,0]=4 1357 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [2,0,0,0,0,0|2,0,0]=4 1358 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [2,0,0,0,0,0|2,0,0]=4 1359 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [2,0,0,0,0,0|2,0,0]=4 1360 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [2,0,0,0,0,0|2,0,0]=4 1361 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [2,0,0,0,0,0|2,0,0]=4 1362 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|0,0,0]=2 1363 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|0,0,0]=2 1364 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [2,0,0,0,0,0|1,0,0]=3 1365 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 1366 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 1367 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [2,0,0,0,0,0|2,0,0]=4 1368 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [2,0,0,0,0,0|2,0,0]=4 1369 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [2,0,0,0,0,0|2,0,0]=4 1370 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|1,0,0]=3 1371 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|1,0,0]=3 1372 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [2,0,0,0,0,0|2,0,0]=4 1373 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [2,0,0,0,0,0|2,0,0]=4 1374 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [2,0,0,0,0,0|2,0,0]=4 1375 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [2,0,0,0,0,0|2,0,0]=4 1376 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [2,0,0,0,0,0|2,0,0]=4 1377 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [2,0,0,0,0,0|2,0,0]=4 1378 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [2,0,0,0,0,0|2,0,0]=4 1379 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [2,0,0,0,0,0|2,0,0]=4 1380 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [2,0,0,0,0,0|0,0,2]=4 1381 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [2,0,0,0,0,0|0,0,2]=4 1382 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [2,0,0,0,0,0|0,0,2]=4 1383 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [2,0,0,0,0,0|0,0,0]=2 1384 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [2,0,0,0,0,0|2,0,0]=4 1385 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [2,0,0,0,0,0|2,0,0]=4 1386 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [2,0,0,0,0,0|2,0,0]=4 1387 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [2,0,0,0,0,0|2,0,0]=4 1388 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [2,0,0,0,0,0|2,0,0]=4 1389 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [2,0,0,0,0,0|2,0,0]=4 1390 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [2,0,0,0,0,0|1,0,0]=3 1391 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [2,0,0,0,0,0|1,0,0]=3 1392 B10R1.10 CCNc1cccc(n1)O 271570a_203496583355_200020678610 [2,0,0,0,0,0|2,0,0]=4 1393 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [2,0,0,0,0,0|2,0,0]=4 1394 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [2,0,0,0,0,0|2,0,0]=4 1395 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [2,0,0,0,0,0|2,0,0]=4 1396 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [2,0,0,0,0,0|2,0,0]=4 1397 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [2,0,0,0,0,0|2,0,0]=4 1398 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [2,0,0,0,0,0|2,0,0]=4 1399 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [2,0,0,0,0,0|2,0,0]=4 1400 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [2,0,0,0,0,0|2,0,0]=4 1401 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [2,0,0,0,0,0|2,0,0]=4 1402 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [2,0,0,0,0,0|2,0,0]=4 1403 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [2,0,0,0,0,0|2,0,0]=4 1404 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [2,0,0,0,0,0|2,0,0]=4 1405 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [2,0,0,0,0,0|1,0,0]=3 1406 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [2,0,0,0,0,0|2,0,0]=4 1407 B10R1.10 CCOc1ccnc(c1)O 271570a_203496583355_100011922638 [2,0,0,0,0,0|2,0,0]=4 1408 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [2,0,0,0,0,0|2,0,0]=4 1409 B10R1.10 CCSc1cc(ccn1)O 62a_100000210202_100000762945 [2,0,0,0,0,0|2,0,0]=4 1410 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [2,0,0,0,0,0|2,0,0]=4 1411 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [2,0,0,0,0,0|2,0,0]=4 1412 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [2,0,0,0,0,0|2,0,0]=4 1413 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [2,0,0,0,0,0|2,0,0]=4 1414 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [2,0,0,0,0,0|2,0,0]=4 1415 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [2,0,0,0,0,0|2,0,0]=4 1416 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [2,0,0,0,0,0|2,0,0]=4 1417 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [2,0,0,0,0,0|2,0,0]=4 1418 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [2,0,0,0,0,0|2,0,0]=4 1419 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [2,0,0,0,0,0|2,0,0]=4 1420 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [2,0,0,0,0,0|1,0,0]=3 1421 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [2,0,0,0,0,0|1,0,0]=3 1422 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [2,0,0,0,0,0|1,1,0]=4 1423 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [2,0,0,0,0,0|1,1,0]=4 1424 B10R1.10 CCSc1cncc(c1)O 62a_100000210202_100000754920 [2,0,0,0,0,0|2,0,0]=4 1425 B10R1.10 CCSc1cncc(c1)O 62a_100000754920_100000210202 [2,0,0,0,0,0|2,0,0]=4 1426 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [2,0,0,0,0,0|2,0,0]=4 1427 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [2,0,0,0,0,0|2,0,0]=4 1428 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [2,0,0,0,0,0|2,0,0]=4 1429 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [2,0,0,0,0,0|2,0,0]=4 1430 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [2,0,0,0,0,0|2,0,0]=4 1431 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [2,0,0,0,0,0|2,0,0]=4 1432 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [2,0,0,0,0,0|2,0,0]=4 1433 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [2,0,0,0,0,0|2,0,0]=4 1434 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [2,0,0,0,0,0|2,0,0]=4 1435 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [2,0,0,0,0,0|2,0,0]=4 1436 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [2,0,0,0,0,0|2,0,0]=4 1437 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [2,0,0,0,0,0|2,0,0]=4 1438 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [2,0,0,0,0,0|2,0,0]=4 1439 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [2,0,0,0,0,0|1,0,0]=3 1440 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [2,0,0,0,0,0|1,0,1]=4 1441 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [2,0,0,0,0,0|1,0,1]=4 1442 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [2,0,0,0,0,0|1,0,0]=3 1443 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [2,0,0,0,0,0|1,0,0]=3 1444 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [2,0,0,0,0,0|1,0,0]=3 1445 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [2,0,0,0,0,0|1,0,0]=3 1446 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [2,0,0,0,0,0|1,0,0]=3 1447 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [2,0,0,0,0,0|1,0,0]=3 1448 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [2,0,0,0,0,0|1,0,0]=3 1449 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [2,0,0,0,0,0|1,0,0]=3 1450 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [2,0,0,0,0,0|1,0,0]=3 1451 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [2,0,0,0,0,0|1,0,0]=3 1452 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [2,0,0,0,0,0|1,0,0]=3 1453 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [2,0,0,0,0,0|1,0,0]=3 1454 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [2,0,0,0,0,0|1,0,0]=3 1455 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [2,0,0,0,0,0|1,0,0]=3 1456 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [2,0,0,0,0,0|1,0,0]=3 1457 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [2,0,0,0,0,0|1,0,0]=3 1458 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [2,0,0,0,0,0|1,0,0]=3 1459 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [2,0,0,0,0,0|1,0,0]=3 1460 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [2,0,0,0,0,0|1,0,0]=3 1461 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [2,0,0,0,0,0|1,0,0]=3 1462 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [2,0,0,0,0,0|1,0,0]=3 1463 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [2,0,0,0,0,0|1,0,0]=3 1464 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [2,0,0,0,0,0|1,0,0]=3 1465 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [2,0,0,0,0,0|1,0,0]=3 1466 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [2,0,0,0,0,0|1,0,0]=3 1467 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [2,0,0,0,0,0|1,0,0]=3 1468 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [2,0,0,0,0,0|1,0,0]=3 1469 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [2,0,0,0,0,0|1,0,0]=3 1470 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [2,0,0,0,0,0|1,0,0]=3 1471 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [2,0,0,0,0,0|1,0,0]=3 1472 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [2,0,0,0,0,0|1,0,0]=3 1473 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [2,0,0,0,0,0|1,0,0]=3 1474 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [2,0,0,0,0,0|1,0,0]=3 1475 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [2,0,0,0,0,0|1,0,0]=3 1476 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [2,0,0,0,0,0|1,0,0]=3 1477 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [2,0,0,0,0,0|1,0,0]=3 1478 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [2,0,0,0,0,0|0,0,0]=2 1479 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [2,0,0,0,0,0|0,0,0]=2 1480 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [2,0,0,0,0,0|0,0,0]=2 1481 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [2,0,0,0,0,0|0,0,0]=2 1482 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [2,0,0,0,0,0|0,0,0]=2 1483 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [2,0,0,0,0,0|0,0,0]=2 1484 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [2,0,0,0,0,0|0,0,0]=2 1485 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [2,0,0,0,0,0|0,0,0]=2 1486 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [2,0,0,0,0,0|2,0,0]=4 1487 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [2,0,0,0,0,0|2,0,0]=4 1488 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [2,0,0,0,0,0|2,0,0]=4 1489 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [2,0,0,0,0,0|2,0,0]=4 1490 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [2,0,0,0,0,0|2,0,0]=4 1491 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [2,0,0,0,0,0|2,0,0]=4 1492 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [2,0,0,0,0,0|2,0,0]=4 1493 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [2,0,0,0,0,0|2,0,0]=4 1494 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [2,0,0,0,0,0|2,0,0]=4 1495 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [2,0,0,0,0,0|2,0,0]=4 1496 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [2,0,0,0,0,0|2,0,0]=4 1497 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [2,0,0,0,0,0|2,0,0]=4 1498 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [2,0,0,0,0,0|2,0,0]=4 1499 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [2,0,0,0,0,0|2,0,0]=4 1500 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [2,0,0,0,0,0|2,0,0]=4 1501 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [2,0,0,0,0,0|2,0,0]=4 1502 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [2,0,0,0,0,0|2,0,0]=4 1503 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [2,0,0,0,0,0|2,0,0]=4 1504 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [2,0,0,0,0,0|2,0,0]=4 1505 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [2,0,0,0,0,0|2,0,0]=4 1506 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [2,0,0,0,0,0|2,0,0]=4 1507 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [2,0,0,0,0,0|2,0,0]=4 1508 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [2,0,0,0,0,0|1,0,0]=3 1509 B10R1.10 CNCc1ccnc(c1)Br 2230a_100025757509_200000210301 [2,0,0,0,0,0|2,0,0]=4 1510 B10R1.10 CNCc1ccnc(c1)Br 2230a_106832991635_100010243470 [2,0,0,0,0,0|2,0,0]=4 1511 B10R1.10 CNCc1ccnc(c1)Br 270004a_106832991635_100009814634 [2,0,0,0,0,0|2,0,0]=4 1512 B10R1.10 CNCc1ccnc(c1)Br 34a_100025757509_200000210301 [2,0,0,0,0,0|2,0,0]=4 1513 B10R1.10 CNCc1ccnc(c1)Br 34a_100102657272_100010243470 [2,0,0,0,0,0|2,0,0]=4 1514 B10R1.10 CNCc1ccnc(c1)Br 7a_106832991635_100010254460 [2,0,0,0,0,0|2,0,0]=4 1515 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [2,0,0,0,0,0|2,0,0]=4 1516 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [2,0,0,0,0,0|2,0,0]=4 1517 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [2,0,0,0,0,0|2,0,0]=4 1518 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [2,0,0,0,0,0|2,0,0]=4 1519 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [2,0,0,0,0,0|2,0,0]=4 1520 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [2,0,0,0,0,0|2,0,0]=4 1521 B10R1.10 CNCc1ccnc(c1)Cl 2230a_100015205668_200000210301 [2,0,0,0,0,0|2,0,0]=4 1522 B10R1.10 CNCc1ccnc(c1)Cl 2230a_106832991635_100000764220 [2,0,0,0,0,0|2,0,0]=4 1523 B10R1.10 CNCc1ccnc(c1)Cl 270004a_106832991635_100011290808 [2,0,0,0,0,0|2,0,0]=4 1524 B10R1.10 CNCc1ccnc(c1)Cl 34a_100015205668_200000210301 [2,0,0,0,0,0|2,0,0]=4 1525 B10R1.10 CNCc1ccnc(c1)Cl 34a_100102657272_100000764220 [2,0,0,0,0,0|2,0,0]=4 1526 B10R1.10 CNCc1ccnc(c1)Cl 7a_106832991635_100000764220 [2,0,0,0,0,0|2,0,0]=4 1527 B10R1.10 CNCc1ccnc(c1)F 2230a_100015188774_200000210301 [2,0,0,0,0,0|2,0,0]=4 1528 B10R1.10 CNCc1ccnc(c1)F 270004a_106832991635_100000068331 [2,0,0,0,0,0|2,0,0]=4 1529 B10R1.10 CNCc1ccnc(c1)F 34a_100015188774_200000210301 [2,0,0,0,0,0|2,0,0]=4 1530 B10R1.10 CNCc1ccnc(c1)O 207a_100102657272_100000688113 [2,0,0,0,0,0|1,0,0]=3 1531 B10R1.10 CNCc1cncc(c1)Br 207a_100102657272_100000687066 [2,0,0,0,0,0|2,0,0]=4 1532 B10R1.10 CNCc1cncc(c1)Br 2230a_106832991635_100000738771 [2,0,0,0,0,0|2,0,0]=4 1533 B10R1.10 CNCc1cncc(c1)Br 270004a_106832991635_100000687066 [2,0,0,0,0,0|2,0,0]=4 1534 B10R1.10 CNCc1cncc(c1)Br 34a_100102657272_100000738771 [2,0,0,0,0,0|2,0,0]=4 1535 B10R1.10 CNCc1cncc(c1)Br 7a_106832991635_100000738771 [2,0,0,0,0,0|2,0,0]=4 1536 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [2,0,0,0,0,0|2,0,0]=4 1537 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [2,0,0,0,0,0|2,0,0]=4 1538 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [2,0,0,0,0,0|2,0,0]=4 1539 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [2,0,0,0,0,0|2,0,0]=4 1540 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [2,0,0,0,0,0|2,0,0]=4 1541 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [2,0,0,0,0,0|2,0,0]=4 1542 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [2,0,0,0,0,0|2,0,0]=4 1543 B10R1.10 CNCc1cncc(c1)Cl 207a_100102657272_100000088910 [2,0,0,0,0,0|2,0,0]=4 1544 B10R1.10 CNCc1cncc(c1)Cl 2230a_106832991635_100016992070 [2,0,0,0,0,0|2,0,0]=4 1545 B10R1.10 CNCc1cncc(c1)Cl 2230a_200020614424_200000210301 [2,0,0,0,0,0|2,0,0]=4 1546 B10R1.10 CNCc1cncc(c1)Cl 270004a_106832991635_100000088910 [2,0,0,0,0,0|2,0,0]=4 1547 B10R1.10 CNCc1cncc(c1)Cl 34a_100102657272_100016992070 [2,0,0,0,0,0|2,0,0]=4 1548 B10R1.10 CNCc1cncc(c1)Cl 7a_106832991635_100016992070 [2,0,0,0,0,0|2,0,0]=4 1549 B10R1.10 CNCc1cncc(c1)F 207a_100102657272_100011361476 [2,0,0,0,0,0|2,0,0]=4 1550 B10R1.10 CNCc1cncc(c1)F 2230a_100011962886_200000210301 [2,0,0,0,0,0|2,0,0]=4 1551 B10R1.10 CNCc1cncc(c1)F 2230a_106832991635_100000725299 [2,0,0,0,0,0|2,0,0]=4 1552 B10R1.10 CNCc1cncc(c1)F 270004a_106832991635_100011361476 [2,0,0,0,0,0|2,0,0]=4 1553 B10R1.10 CNCc1cncc(c1)F 34a_100011962886_200000210301 [2,0,0,0,0,0|2,0,0]=4 1554 B10R1.10 CNCc1cncc(c1)F 34a_100102657272_100000725299 [2,0,0,0,0,0|2,0,0]=4 1555 B10R1.10 CNCc1cncc(c1)F 7a_106832991635_100000725299 [2,0,0,0,0,0|2,0,0]=4 1556 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [2,0,0,0,0,0|1,0,0]=3 1557 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [2,0,0,0,0,0|1,0,0]=3 1558 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [2,0,0,0,0,0|1,0,0]=3 1559 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [2,0,0,0,0,0|2,0,0]=4 1560 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [2,0,0,0,0,0|2,0,0]=4 1561 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [2,0,0,0,0,0|2,0,0]=4 1562 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [2,0,0,0,0,0|2,0,0]=4 1563 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [2,0,0,0,0,0|2,0,0]=4 1564 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [2,0,0,0,0,0|2,0,0]=4 1565 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1566 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [2,0,0,0,0,0|2,0,0]=4 1567 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1568 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [2,0,0,0,0,0|2,0,0]=4 1569 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [2,0,0,0,0,0|2,0,0]=4 1570 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [2,0,0,0,0,0|2,0,0]=4 1571 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [2,0,0,0,0,0|2,0,0]=4 1572 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [2,0,0,0,0,0|2,0,0]=4 1573 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [2,0,0,0,0,0|2,0,0]=4 1574 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [2,0,0,0,0,0|2,0,0]=4 1575 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [2,0,0,0,0,0|1,0,0]=3 1576 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [2,0,0,0,0,0|1,0,0]=3 1577 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [2,0,0,0,0,0|2,0,0]=4 1578 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [2,0,0,0,0,0|2,0,0]=4 1579 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [2,0,0,0,0,0|2,0,0]=4 1580 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [2,0,0,0,0,0|2,0,0]=4 1581 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [2,0,0,0,0,0|2,0,0]=4 1582 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [2,0,0,0,0,0|2,0,0]=4 1583 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [2,0,0,0,0,0|2,0,0]=4 1584 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [2,0,0,0,0,0|2,0,0]=4 1585 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [2,0,0,0,0,0|2,0,0]=4 1586 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [2,0,0,0,0,0|2,0,0]=4 1587 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [2,0,0,0,0,0|1,0,0]=3 1588 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [2,0,0,0,0,0|1,0,0]=3 1589 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [2,0,0,0,0,0|2,0,0]=4 1590 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [2,0,0,0,0,0|1,0,0]=3 1591 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [2,0,0,0,0,0|1,0,0]=3 1592 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [2,0,0,0,0,0|2,0,0]=4 1593 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [2,0,0,0,0,0|2,0,0]=4 1594 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [2,0,0,0,0,0|2,0,0]=4 1595 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [2,0,0,0,0,0|2,0,0]=4 1596 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [2,0,0,0,0,0|2,0,0]=4 1597 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [2,0,0,0,0,0|2,0,0]=4 1598 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [2,0,0,0,0,0|2,0,0]=4 1599 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [2,0,0,0,0,0|0,0,2]=4 1600 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [2,0,0,0,0,0|0,0,0]=2 1601 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [2,0,0,0,0,0|1,0,0]=3 1602 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [2,0,0,0,0,0|1,0,1]=4 1603 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [2,0,0,0,0,0|1,0,0]=3 1604 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [2,0,0,0,0,0|2,0,0]=4 1605 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [2,0,0,0,0,0|2,0,0]=4 1606 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [2,0,0,0,0,0|2,0,0]=4 1607 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [2,0,0,0,0,0|1,0,1]=4 1608 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [2,0,0,0,0,0|1,0,0]=3 1609 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [2,0,0,0,0,0|1,0,0]=3 1610 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [2,0,0,0,0,0|1,0,0]=3 1611 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [2,0,0,0,0,0|1,0,0]=3 1612 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [2,0,0,0,0,0|1,0,0]=3 1613 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [2,0,0,0,0,0|1,0,0]=3 1614 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [2,0,0,0,0,0|1,0,0]=3 1615 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [2,0,0,0,0,0|1,0,0]=3 1616 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [2,0,0,0,0,0|0,0,0]=2 1617 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [2,0,0,0,0,0|0,0,0]=2 1618 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [2,0,0,0,0,0|2,0,0]=4 1619 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [2,0,0,0,0,0|2,0,0]=4 1620 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [2,0,0,0,0,0|2,0,0]=4 1621 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [2,0,0,0,0,0|2,0,0]=4 1622 B10R1.10 [13CH3]NCc1ccnc(c1)Br 2230a_100025757509_200025704644 [2,0,0,0,0,0|2,0,0]=4 1623 B10R1.10 [13CH3]NCc1ccnc(c1)Br 34a_100025757509_200025704644 [2,0,0,0,0,0|2,0,0]=4 1624 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 2230a_100015205668_200025704644 [2,0,0,0,0,0|2,0,0]=4 1625 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 34a_100015205668_200025704644 [2,0,0,0,0,0|2,0,0]=4 1626 B10R1.10 [13CH3]NCc1ccnc(c1)F 2230a_100015188774_200025704644 [2,0,0,0,0,0|2,0,0]=4 1627 B10R1.10 [13CH3]NCc1ccnc(c1)F 34a_100015188774_200025704644 [2,0,0,0,0,0|2,0,0]=4 1628 B10R1.10 [13CH3]NCc1cncc(c1)Cl 2230a_200020614424_200025704644 [2,0,0,0,0,0|2,0,0]=4 1629 B10R1.10 [13CH3]NCc1cncc(c1)F 2230a_100011962886_200025704644 [2,0,0,0,0,0|2,0,0]=4 1630 B10R1.10 [13CH3]NCc1cncc(c1)F 34a_100011962886_200025704644 [2,0,0,0,0,0|2,0,0]=4 1631 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [2,0,0,0,0,0|2,0,0]=4 1632 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [2,0,0,0,0,0|2,0,0]=4 1633 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1634 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1635 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [2,0,0,0,0,0|2,0,0]=4 1636 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [2,0,0,0,0,0|2,0,0]=4 1637 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [2,0,0,0,0,0|2,0,0]=4 1638 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [2,0,0,0,0,0|2,0,0]=4 1639 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [2,0,0,0,0,0|2,0,0]=4 1640 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [2,0,0,0,0,0|2,0,0]=4 1641 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [2,0,0,0,0,0|2,0,0]=4 1642 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [2,0,0,0,0,0|2,0,0]=4 1643 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [2,0,0,0,0,0|2,0,0]=4 1644 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [2,0,0,0,0,0|2,0,0]=4 1645 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [2,0,0,0,0,0|2,0,0]=4 1646 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [2,0,0,0,0,0|2,0,0]=4 1647 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [2,0,0,0,0,0|2,0,0]=4 1648 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [2,0,0,0,0,0|1,0,0]=3 1649 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [2,0,0,0,0,0|1,0,0]=3 1650 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [2,0,0,0,0,0|1,0,1]=4 1651 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [2,0,0,0,0,0|1,0,1]=4 1652 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [2,0,0,0,0,0|0,0,2]=4 1653 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [2,0,0,0,0,0|0,0,2]=4 1654 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [2,0,0,0,0,0|2,0,0]=4 1655 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [2,0,0,0,0,0|1,0,0]=3 1656 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [2,0,0,0,0,0|2,0,0]=4 1657 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [2,0,0,0,0,0|2,0,0]=4 1658 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [2,0,0,0,0,0|2,0,0]=4 1659 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [2,0,0,0,0,0|1,0,0]=3 1660 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [2,0,0,0,0,0|2,0,0]=4 1661 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [2,0,0,0,0,0|1,0,0]=3 1662 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [2,0,0,0,0,0|0,0,0]=2 1663 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [2,0,0,0,0,0|1,0,0]=3 1664 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [2,0,0,0,0,0|1,0,0]=3 1665 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 1666 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 1667 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [2,0,0,0,0,0|2,0,0]=4 1668 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 1669 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 1670 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 1671 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 1672 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [2,0,0,0,0,0|1,0,1]=4 1673 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [2,0,0,0,0,0|2,0,0]=4 1674 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [2,0,0,0,0,0|0,0,2]=4 1675 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [2,0,0,0,0,0|2,0,0]=4 1676 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [2,0,0,0,0,0|2,0,0]=4 1677 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [2,0,0,0,0,0|0,0,2]=4 1678 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [1,1,0,0,0,0|1,0,1]=4 1679 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [1,1,0,0,0,0|1,0,1]=4 1680 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [1,1,0,0,0,0|1,0,1]=4 1681 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [1,1,0,0,0,0|1,0,1]=4 1682 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,1,0,0,0,0|1,0,0]=3 1683 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,1,0,0,0,0|2,0,0]=4 1684 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,1,0,0,0,0|2,0,0]=4 1685 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1686 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1687 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1688 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [1,1,0,0,0,0|2,0,0]=4 1689 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1690 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1691 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1692 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [1,1,0,0,0,0|1,0,0]=3 1693 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [1,1,0,0,0,0|1,0,0]=3 1694 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [1,1,0,0,0,0|1,0,0]=3 1695 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [1,1,0,0,0,0|1,0,0]=3 1696 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 1697 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 1698 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [1,1,0,0,0,0|2,0,0]=4 1699 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 1700 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 1701 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1702 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1703 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1704 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1705 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1706 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 1707 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 1708 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [1,1,0,0,0,0|2,0,0]=4 1709 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 1710 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 1711 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1712 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [1,1,0,0,0,0|2,0,0]=4 1713 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 1714 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 1715 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [1,1,0,0,0,0|1,0,1]=4 1716 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [1,1,0,0,0,0|1,0,0]=3 1717 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [1,1,0,0,0,0|1,0,0]=3 1718 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [1,1,0,0,0,0|0,0,2]=4 1719 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [1,1,0,0,0,0|0,0,2]=4 1720 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [1,1,0,0,0,0|0,0,2]=4 1721 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [1,1,0,0,0,0|0,0,2]=4 1722 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [1,1,0,0,0,0|0,0,2]=4 1723 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [1,1,0,0,0,0|0,0,2]=4 1724 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [1,1,0,0,0,0|0,0,2]=4 1725 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [1,1,0,0,0,0|0,0,2]=4 1726 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [1,1,0,0,0,0|0,0,2]=4 1727 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [1,1,0,0,0,0|0,0,2]=4 1728 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [1,1,0,0,0,0|0,0,2]=4 1729 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [1,1,0,0,0,0|1,0,0]=3 1730 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [1,1,0,0,0,0|0,0,0]=2 1731 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [1,1,0,0,0,0|0,0,0]=2 1732 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [1,1,0,0,0,0|0,0,0]=2 1733 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [1,1,0,0,0,0|0,0,0]=2 1734 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [1,1,0,0,0,0|0,0,0]=2 1735 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [1,1,0,0,0,0|0,0,0]=2 1736 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [1,1,0,0,0,0|0,0,0]=2 1737 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [1,1,0,0,0,0|0,0,0]=2 1738 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [1,1,0,0,0,0|0,0,0]=2 1739 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [1,1,0,0,0,0|0,0,0]=2 1740 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [1,1,0,0,0,0|0,0,0]=2 1741 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [1,1,0,0,0,0|0,0,0]=2 1742 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [1,1,0,0,0,0|0,0,0]=2 1743 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [1,1,0,0,0,0|2,0,0]=4 1744 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [1,1,0,0,0,0|2,0,0]=4 1745 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [1,1,0,0,0,0|1,0,0]=3 1746 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1747 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1748 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [1,1,0,0,0,0|1,0,0]=3 1749 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [1,1,0,0,0,0|1,0,0]=3 1750 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [1,1,0,0,0,0|1,0,0]=3 1751 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [1,1,0,0,0,0|1,0,0]=3 1752 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [1,1,0,0,0,0|1,0,0]=3 1753 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [1,1,0,0,0,0|0,0,0]=2 1754 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [1,1,0,0,0,0|0,0,0]=2 1755 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1756 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [1,1,0,0,0,0|0,0,0]=2 1757 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [1,1,0,0,0,0|0,0,0]=2 1758 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [1,1,0,0,0,0|0,0,0]=2 1759 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [1,1,0,0,0,0|0,0,0]=2 1760 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [1,1,0,0,0,0|0,0,0]=2 1761 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [1,1,0,0,0,0|2,0,0]=4 1762 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [1,1,0,0,0,0|2,0,0]=4 1763 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1764 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [1,1,0,0,0,0|1,0,0]=3 1765 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [1,1,0,0,0,0|1,0,0]=3 1766 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [1,1,0,0,0,0|1,0,0]=3 1767 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [1,1,0,0,0,0|1,0,0]=3 1768 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,1,0,0,0,0|1,0,0]=3 1769 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,1,0,0,0,0|2,0,0]=4 1770 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,1,0,0,0,0|2,0,0]=4 1771 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [1,1,0,0,0,0|2,0,0]=4 1772 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [1,1,0,0,0,0|2,0,0]=4 1773 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,1,0,0,0,0|2,0,0]=4 1774 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,1,0,0,0,0|2,0,0]=4 1775 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,1,0,0,0,0|2,0,0]=4 1776 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,1,0,0,0,0|2,0,0]=4 1777 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,1,0,0,0,0|2,0,0]=4 1778 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,1,0,0,0,0|2,0,0]=4 1779 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,1,0,0,0,0|2,0,0]=4 1780 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,1,0,0,0,0|1,0,0]=3 1781 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,1,0,0,0,0|1,0,0]=3 1782 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,1,0,0,0,0|1,0,0]=3 1783 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,1,0,0,0,0|1,0,0]=3 1784 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [1,1,0,0,0,0|0,0,0]=2 1785 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [1,1,0,0,0,0|0,0,0]=2 1786 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [1,1,0,0,0,0|1,0,0]=3 1787 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [1,1,0,0,0,0|1,0,0]=3 1788 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [1,1,0,0,0,0|0,0,0]=2 1789 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,1,0,0,0,0|2,0,0]=4 1790 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,1,0,0,0,0|2,0,0]=4 1791 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,1,0,0,0,0|2,0,0]=4 1792 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [1,1,0,0,0,0|1,0,0]=3 1793 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 1794 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [1,1,0,0,0,0|1,0,0]=3 1795 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [1,1,0,0,0,0|2,0,0]=4 1796 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [1,1,0,0,0,0|2,0,0]=4 1797 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [1,1,0,0,0,0|1,0,0]=3 1798 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [1,1,0,0,0,0|1,0,0]=3 1799 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [1,1,0,0,0,0|1,0,0]=3 1800 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [1,1,0,0,0,0|1,0,0]=3 1801 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [1,1,0,0,0,0|0,0,2]=4 1802 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [1,1,0,0,0,0|0,0,2]=4 1803 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,1,0,0,0,0|1,0,0]=3 1804 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,1,0,0,0,0|0,0,0]=2 1805 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [1,1,0,0,0,0|1,0,1]=4 1806 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [1,1,0,0,0,0|1,0,1]=4 1807 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,1,0,0,0,0|0,0,0]=2 1808 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,1,0,0,0,0|0,0,0]=2 1809 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,1,0,0,0,0|0,0,0]=2 1810 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [1,1,0,0,0,0|0,0,2]=4 1811 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,1,0,0,0,0|1,0,0]=3 1812 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [1,1,0,0,0,0|2,0,0]=4 1813 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,1,0,0,0,0|2,0,0]=4 1814 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [1,1,0,0,0,0|2,0,0]=4 1815 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,1,0,0,0,0|1,0,0]=3 1817 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,1,0,0,0,0|1,0,0]=3 1818 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [1,1,0,0,0,0|2,0,0]=4 1820 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [1,1,0,0,0,0|1,0,0]=3 1824 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [1,1,0,0,0,0|1,0,0]=3 1825 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [1,1,0,0,0,0|1,0,0]=3 1826 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [1,1,0,0,0,0|1,0,0]=3 1827 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,1,0,0,0,0|0,0,0]=2 1828 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [1,1,0,0,0,0|2,0,0]=4 1829 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,1,0,0,0,0|1,0,0]=3 1830 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,1,0,0,0,0|1,0,0]=3 1831 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [1,1,0,0,0,0|1,0,1]=4 1832 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [1,1,0,0,0,0|1,0,1]=4 1833 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [1,1,0,0,0,0|1,0,1]=4 1834 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [1,1,0,0,0,0|1,0,1]=4 1835 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [1,1,0,0,0,0|1,0,1]=4 1836 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [1,1,0,0,0,0|1,0,1]=4 1837 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [1,1,0,0,0,0|1,0,1]=4 1838 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [1,1,0,0,0,0|1,0,1]=4 1839 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [1,1,0,0,0,0|1,0,1]=4 1840 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [1,1,0,0,0,0|0,0,1]=3 1841 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [1,1,0,0,0,0|0,0,2]=4 1842 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [1,1,0,0,0,0|0,0,2]=4 1843 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [1,1,0,0,0,0|2,0,0]=4 1844 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [1,1,0,0,0,0|2,0,0]=4 1845 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [1,1,0,0,0,0|1,0,0]=3 1846 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [1,1,0,0,0,0|2,0,0]=4 1847 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [1,1,0,0,0,0|2,0,0]=4 1848 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [1,1,0,0,0,0|2,0,0]=4 1849 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [1,1,0,0,0,0|0,0,0]=2 1850 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [1,1,0,0,0,0|1,0,0]=3 1851 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [1,1,0,0,0,0|0,0,0]=2 1852 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [1,1,0,0,0,0|1,0,0]=3 1853 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [1,1,0,0,0,0|1,0,0]=3 1854 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [1,1,0,0,0,0|1,0,1]=4 1855 B12R1.39 CNC[Si](C)(C)c1ccccc1 2230a_106832991635_100000038972 [1,1,0,0,0,0|1,1,0]=4 1856 B12R1.39 CNC[Si](C)(C)c1ccccc1 7a_106832991635_100000038972 [1,1,0,0,0,0|1,1,0]=4 1857 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [1,1,0,0,0,0|2,0,0]=4 1858 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [1,1,0,0,0,0|2,0,0]=4 1859 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [1,1,0,0,0,0|2,0,0]=4 1860 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [1,1,0,0,0,0|2,0,0]=4 1861 B12R1.39 CSCC(F)(F)c1ccccc1 62a_100009875531_200000210301 [1,1,0,0,0,0|2,0,0]=4 1862 B12R1.39 CSCC(F)(F)c1ccccc1 62a_200000210301_100009875531 [1,1,0,0,0,0|2,0,0]=4 1863 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [1,1,0,0,0,0|1,0,0]=3 1864 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_100009875531_200025704644 [1,1,0,0,0,0|2,0,0]=4 1865 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_200025704644_100009875531 [1,1,0,0,0,0|2,0,0]=4 1866 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,1,0,0,0,0|2,0,0]=4 1867 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,1,0,0,0,0|1,0,0]=3 1869 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,1,0,0,0,0|1,0,0]=3 1870 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,1,0,0,0,0|1,0,0]=3 1871 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,1,0,0,0,0|2,0,0]=4 1872 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,1,0,0,0,0|2,0,0]=4 1873 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [1,1,0,0,0,0|1,0,0]=3 1874 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [1,1,0,0,0,0|1,0,0]=3 1875 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [1,1,0,0,0,0|1,0,0]=3 1876 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [1,1,0,0,0,0|0,0,2]=4 1877 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [1,1,0,0,0,0|0,0,0]=2 1878 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [1,1,0,0,0,0|0,0,0]=2 1879 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [1,1,0,0,0,0|0,0,0]=2 1880 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [1,1,0,0,0,0|1,0,1]=4 1881 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [1,1,0,0,0,0|0,0,0]=2 1882 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [1,1,0,0,0,0|0,0,0]=2 1883 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [1,1,0,0,0,0|0,0,0]=2 1884 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,1,0,0,0,0|1,0,0]=3 1885 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [1,1,0,0,0,0|0,0,2]=4 1886 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [1,1,0,0,0,0|0,0,2]=4 1887 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [1,1,0,0,0,0|0,0,2]=4 1888 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [1,1,0,0,0,0|0,0,2]=4 1889 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [1,1,0,0,0,0|0,0,2]=4 1890 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [1,1,0,0,0,0|0,0,2]=4 1891 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [1,1,0,0,0,0|0,0,2]=4 1892 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [1,1,0,0,0,0|0,0,2]=4 1893 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [1,1,0,0,0,0|0,0,0]=2 1894 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [1,1,0,0,0,0|0,0,0]=2 1895 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [1,1,0,0,0,0|0,0,0]=2 1896 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [1,1,0,0,0,0|2,0,0]=4 1897 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [1,1,0,0,0,0|2,0,0]=4 1898 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [1,1,0,0,0,0|2,0,0]=4 1899 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [1,1,0,0,0,0|0,0,0]=2 1900 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [1,1,0,0,0,0|0,0,0]=2 1901 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [1,1,0,0,0,0|0,0,0]=2 1902 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [1,1,0,0,0,0|2,0,0]=4 1903 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [1,1,0,0,0,0|2,0,0]=4 1904 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [1,1,0,0,0,0|2,0,0]=4 1905 B12R1.10 CC(C)(CN)c1cccc(c1)O 271570a_203496583355_100000749542 [1,1,0,0,0,0|1,0,0]=3 1906 B12R1.10 CC(C)(CO)c1cccc(c1)O 271570a_203496583355_200010233077 [1,1,0,0,0,0|2,0,0]=4 1907 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)Br 2230a_100016995529_200025704644 [1,1,0,0,0,0|2,0,0]=4 1908 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)Cl 2230a_100020605014_200025704644 [1,1,0,0,0,0|2,0,0]=4 1909 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)F 2230a_100016993694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1910 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)F 34a_100016993694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1911 B12R1.10 CCS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815775 [1,1,0,0,0,0|1,0,1]=4 1912 B12R1.10 CNC(C)(C)c1cccc(c1)Br 2230a_100016995529_200000210301 [1,1,0,0,0,0|2,0,0]=4 1913 B12R1.10 CNC(C)(C)c1cccc(c1)Cl 2230a_100020605014_200000210301 [1,1,0,0,0,0|2,0,0]=4 1914 B12R1.10 CNC(C)(C)c1cccc(c1)F 2230a_100016993694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1915 B12R1.10 CNC(C)(C)c1cccc(c1)F 34a_100016993694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1916 B12R1.10 CNS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000165148 [1,1,0,0,0,0|1,0,1]=4 1917 B12R1.13 CCC(NC)c1cccc(c1)Br 269862a_106832991636_100000211677 [1,1,0,0,0,0|2,0,0]=4 1918 B12R1.13 CCC(NC)c1cccc(c1)C 269862a_106832991636_100000730664 [1,1,0,0,0,0|2,0,0]=4 1919 B12R1.13 CCC(NC)c1cccc(c1)Cl 2230a_100000737531_200000210301 [1,1,0,0,0,0|2,0,0]=4 1920 B12R1.13 CCC(NC)c1cccc(c1)Cl 269862a_106832991636_100000211052 [1,1,0,0,0,0|2,0,0]=4 1921 B12R1.13 CCC(NC)c1cccc(c1)Cl 34a_100000737531_200000210301 [1,1,0,0,0,0|2,0,0]=4 1922 B12R1.13 CCC(NC)c1cccc(c1)F 2230a_100159265421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1923 B12R1.13 CCC(NC)c1cccc(c1)F 269862a_106832991636_100000687998 [1,1,0,0,0,0|2,0,0]=4 1924 B12R1.13 CCC(NC)c1cccc(c1)F 34a_100159265421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1925 B12R1.13 CCC(NC)c1cccc(c1)O 2230a_100159312145_200000210301 [1,1,0,0,0,0|1,0,0]=3 1926 B12R1.13 CCC(NC)c1cccc(c1)O 269862a_106832991636_100011996911 [1,1,0,0,0,0|1,0,0]=3 1927 B12R1.13 CCC(NC)c1cccc(c1)O 34a_100159312145_200000210301 [1,1,0,0,0,0|1,0,0]=3 1928 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 2230a_100000737531_200025704644 [1,1,0,0,0,0|2,0,0]=4 1929 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 34a_100000737531_200025704644 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 2230a_100159265421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1931 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 34a_100159265421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1932 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 2230a_100159312145_200025704644 [1,1,0,0,0,0|1,0,0]=3 1933 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 34a_100159312145_200025704644 [1,1,0,0,0,0|1,0,0]=3 1934 B12R1.13 CCC(OC)c1cccc(c1)Cl 34a_100000766619_200000210301 [1,1,0,0,0,0|1,0,0]=3 1935 B12R1.13 CCC(OC)c1cccc(c1)Cl 7a_100000766619_200000210301 [1,1,0,0,0,0|1,0,0]=3 1936 B12R1.13 CCC(OC)c1cccc(c1)F 34a_100011350881_200000210301 [1,1,0,0,0,0|1,0,0]=3 1937 B12R1.13 CCC(OC)c1cccc(c1)F 7a_100011350881_200000210301 [1,1,0,0,0,0|1,0,0]=3 1938 B12R1.13 CCC(OC)c1cccc(c1)I 34a_200013212081_200000210301 [1,1,0,0,0,0|1,0,0]=3 1939 B12R1.13 CCC(OC)c1cccc(c1)I 7a_200013212081_200000210301 [1,1,0,0,0,0|1,0,0]=3 1940 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 34a_100000766619_200025704644 [1,1,0,0,0,0|1,0,0]=3 1941 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 7a_100000766619_200025704644 [1,1,0,0,0,0|1,0,0]=3 1942 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 34a_100011350881_200025704644 [1,1,0,0,0,0|1,0,0]=3 1943 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 7a_100011350881_200025704644 [1,1,0,0,0,0|1,0,0]=3 1944 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 34a_200013212081_200025704644 [1,1,0,0,0,0|1,0,0]=3 1945 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 7a_200013212081_200025704644 [1,1,0,0,0,0|1,0,0]=3 1946 B12R1.13 CCN(CC)c1cccc(c1)O 2230a_100000717746_100000210202 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.13 CCN(CC)c1cccc(c1)O 269982a_100000717746_100000204670 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.13 CCN(CC)c1cccc(c1)O 34a_100000717746_100000210202 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.13 CCN(CF)c1cccc(c1)O 269982a_100000717746_100015361967 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.13 CCN(CF)c1cccc(c1)O 34a_100000717746_100015361967 [1,1,0,0,0,0|2,0,0]=4 1951 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 2230a_200016991486_200000210301 [1,1,0,0,0,0|2,0,0]=4 1952 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 34a_200016991486_200000210301 [1,1,0,0,0,0|2,0,0]=4 1953 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 2230a_200016991486_200025704644 [1,1,0,0,0,0|2,0,0]=4 1954 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 34a_200016991486_200025704644 [1,1,0,0,0,0|2,0,0]=4 1955 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 2230a_100102422761_200000210301 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 34a_100102422761_200000210301 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 2230a_100102422761_200025704644 [1,1,0,0,0,0|2,0,0]=4 1958 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 34a_100102422761_200025704644 [1,1,0,0,0,0|2,0,0]=4 1959 B12R1.13 CNC(CO)c1cccc(c1)Br 2230a_100000690078_200000210301 [1,1,0,0,0,0|1,0,0]=3 1960 B12R1.13 CNC(CO)c1cccc(c1)Br 34a_100000690078_200000210301 [1,1,0,0,0,0|1,0,0]=3 1961 B12R1.13 CNC(CO)c1cccc(c1)O 2230a_100025717460_200000210301 [1,1,0,0,0,0|0,0,0]=2 1962 B12R1.13 CNC(CO)c1cccc(c1)O 34a_100025717460_200000210301 [1,1,0,0,0,0|0,0,0]=2 1963 B12R1.13 CNC(CO)c1cccc(n1)F 2230a_200020642391_200000210301 [1,1,0,0,0,0|2,0,0]=4 1964 B12R1.13 CNC(CO)c1cccc(n1)F 34a_200020642391_200000210301 [1,1,0,0,0,0|2,0,0]=4 1965 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200000210301 [1,1,0,0,0,0|1,0,0]=3 1966 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200000210301 [1,1,0,0,0,0|1,0,0]=3 1967 B12R1.13 CN[C@H](CO)c1cccc(c1)C 2230a_100009818812_200000210301 [1,1,0,0,0,0|1,0,0]=3 1968 B12R1.13 CN[C@H](CO)c1cccc(c1)C 34a_100009818812_200000210301 [1,1,0,0,0,0|1,0,0]=3 1969 B12R1.13 CN[C@H](CO)c1cccc(c1)F 2230a_100020641251_200000210301 [1,1,0,0,0,0|1,0,0]=3 1970 B12R1.13 CN[C@H](CO)c1cccc(c1)F 34a_100020641251_200000210301 [1,1,0,0,0,0|1,0,0]=3 1971 B12R1.13 COC(OC)c1cccc(c1)O 271570a_203496583355_100009816312 [1,1,0,0,0,0|1,0,0]=3 1972 B12R1.13 COC(OC)c1cncc(c1)O 271570a_203496583355_100010232022 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 2230a_100009818812_200025704644 [1,1,0,0,0,0|1,0,0]=3 1974 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 34a_100009818812_200025704644 [1,1,0,0,0,0|1,0,0]=3 1975 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 2230a_100000690078_200025704644 [1,1,0,0,0,0|1,0,0]=3 1976 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 34a_100000690078_200025704644 [1,1,0,0,0,0|1,0,0]=3 1977 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 2230a_100025717460_200025704644 [1,1,0,0,0,0|0,0,0]=2 1978 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 34a_100025717460_200025704644 [1,1,0,0,0,0|0,0,0]=2 1979 B12R1.13 [13CH3]NC(CO)c1cccc(n1)F 2230a_200020642391_200025704644 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.13 [13CH3]NC(CO)c1cccc(n1)F 34a_200020642391_200025704644 [1,1,0,0,0,0|2,0,0]=4 1981 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200025704644 [1,1,0,0,0,0|1,0,0]=3 1982 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200025704644 [1,1,0,0,0,0|1,0,0]=3 1983 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 2230a_100020641251_200025704644 [1,1,0,0,0,0|1,0,0]=3 1984 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 34a_100020641251_200025704644 [1,1,0,0,0,0|1,0,0]=3 1985 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)Cl 2230a_100015335525_200025704644 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)Cl 34a_100015335525_200025704644 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)F 2230a_100103153465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)F 34a_100103153465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [1,1,0,0,0,0|0,0,2]=4 1990 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [1,1,0,0,0,0|0,0,2]=4 1991 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [1,1,0,0,0,0|0,0,2]=4 1992 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [1,1,0,0,0,0|0,0,2]=4 1993 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [1,1,0,0,0,0|0,0,2]=4 1994 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [1,1,0,0,0,0|0,0,2]=4 1995 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [1,1,0,0,0,0|0,0,2]=4 1996 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [1,1,0,0,0,0|0,0,2]=4 1997 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [1,1,0,0,0,0|0,0,2]=4 1998 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [1,1,0,0,0,0|0,0,2]=4 1999 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [1,1,0,0,0,0|0,0,2]=4 2000 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [1,1,0,0,0,0|0,0,2]=4 2001 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [1,1,0,0,0,0|0,0,2]=4 2002 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [1,1,0,0,0,0|0,0,2]=4 2003 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [1,1,0,0,0,0|0,0,2]=4 2004 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [1,1,0,0,0,0|0,0,2]=4 2005 B12R1.24 CNC(C)c1cccc(c1Br)Cl 269862a_106832991636_100010145520 [1,1,0,0,0,0|2,0,0]=4 2006 B12R1.24 CNC(C)c1cccc(c1Br)F 269862a_106832991636_100012362612 [1,1,0,0,0,0|2,0,0]=4 2007 B12R1.24 CNC(C)c1cccc(c1C)Br 269862a_106832991636_100012706834 [1,1,0,0,0,0|2,0,0]=4 2008 B12R1.24 CNC(C)c1cccc(c1C)C 2230a_106832991635_100012183177 [1,1,0,0,0,0|2,0,0]=4 2009 B12R1.24 CNC(C)c1cccc(c1C)C 269862a_106832991636_100000756305 [1,1,0,0,0,0|2,0,0]=4 2010 B12R1.24 CNC(C)c1cccc(c1C)C 34a_100102657272_100012183177 [1,1,0,0,0,0|2,0,0]=4 2011 B12R1.24 CNC(C)c1cccc(c1C)C 7a_106832991635_100012183177 [1,1,0,0,0,0|2,0,0]=4 2012 B12R1.24 CNC(C)c1cccc(c1C)Cl 269862a_106832991636_100012002460 [1,1,0,0,0,0|2,0,0]=4 2013 B12R1.24 CNC(C)c1cccc(c1C)F 269862a_106832991636_100000061526 [1,1,0,0,0,0|2,0,0]=4 2014 B12R1.24 CNC(C)c1cccc(c1C)I 269862a_106832991636_100010725598 [1,1,0,0,0,0|2,0,0]=4 2015 B12R1.24 CNC(C)c1cccc(c1Cl)Br 269862a_106832991636_100012349481 [1,1,0,0,0,0|2,0,0]=4 2016 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 2230a_100015335525_200000210301 [1,1,0,0,0,0|2,0,0]=4 2017 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 269862a_106832991636_100000756844 [1,1,0,0,0,0|2,0,0]=4 2018 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 34a_100015335525_200000210301 [1,1,0,0,0,0|2,0,0]=4 2019 B12R1.24 CNC(C)c1cccc(c1Cl)F 2230a_100103153465_200000210301 [1,1,0,0,0,0|2,0,0]=4 2020 B12R1.24 CNC(C)c1cccc(c1Cl)F 269862a_106832991636_100000699253 [1,1,0,0,0,0|2,0,0]=4 2021 B12R1.24 CNC(C)c1cccc(c1Cl)F 34a_100103153465_200000210301 [1,1,0,0,0,0|2,0,0]=4 2022 B12R1.24 CNC(C)c1cccc(c1F)Br 269862a_106832991636_100012355707 [1,1,0,0,0,0|2,0,0]=4 2023 B12R1.24 CNC(C)c1cccc(c1F)C 269862a_106832991636_100012182731 [1,1,0,0,0,0|2,0,0]=4 2024 B12R1.24 CNC(C)c1cccc(c1F)Cl 269862a_106832991636_100011830330 [1,1,0,0,0,0|2,0,0]=4 2025 B12R1.24 CNC(C)c1cccc(c1F)F 269862a_106832991636_100000696358 [1,1,0,0,0,0|2,0,0]=4 2026 B12R1.24 CNC(C)c1cccc(c1O)Br 269862a_106832991636_100009815558 [1,1,0,0,0,0|2,0,0]=4 2027 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [1,1,0,0,0,0|2,0,0]=4 2028 B12R1.24 CNC(C)c1cccc(c1O)Cl 269862a_106832991636_100000043392 [1,1,0,0,0,0|2,0,0]=4 2029 B12R1.24 CNC(C)c1cccc(c1O)F 269862a_106832991636_100011246037 [1,1,0,0,0,0|2,0,0]=4 2030 B12R1.24 CN[C@@H](C)c1cccc(c1F)F 2230a_100020612118_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B12R1.24 CN[C@@H](C)c1cccc(c1F)F 34a_100020612118_200000210301 [1,1,0,0,0,0|2,0,0]=4 2032 B12R1.24 CN[C@H](C)c1cccc(c1F)Cl 2230a_100016987989_200000210301 [1,1,0,0,0,0|2,0,0]=4 2033 B12R1.24 CN[C@H](C)c1cccc(c1F)Cl 34a_100016987989_200000210301 [1,1,0,0,0,0|2,0,0]=4 2034 B12R1.24 COC(C)c1cccc(c1F)O 271570a_203496583355_200010365929 [1,1,0,0,0,0|2,0,0]=4 2035 B12R1.24 C[C@@H](N[13CH3])c1cccc(c1F)Cl 2230a_100016987989_200025704644 [1,1,0,0,0,0|2,0,0]=4 2036 B12R1.24 C[C@@H](N[13CH3])c1cccc(c1F)Cl 34a_100016987989_200025704644 [1,1,0,0,0,0|2,0,0]=4 2037 B12R1.24 C[C@H](N[13CH3])c1cccc(c1F)F 2230a_100020612118_200025704644 [1,1,0,0,0,0|2,0,0]=4 2038 B12R1.24 C[C@H](N[13CH3])c1cccc(c1F)F 34a_100020612118_200025704644 [1,1,0,0,0,0|2,0,0]=4 2039 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [1,1,0,0,0,0|1,0,1]=4 2040 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [1,1,0,0,0,0|1,0,1]=4 2041 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [1,1,0,0,0,0|1,0,1]=4 2042 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [1,1,0,0,0,0|0,0,2]=4 2043 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [1,1,0,0,0,0|0,0,2]=4 2044 B12R1.225 CC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000210206 [1,1,0,0,0,0|2,0,0]=4 2045 B12R1.225 CC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000210206 [1,1,0,0,0,0|2,0,0]=4 2046 B12R1.225 CC(C)N(C)c1cccc(c1)O 34a_100000756613_100000210206 [1,1,0,0,0,0|2,0,0]=4 2047 B12R1.225 CC(c1cccc(c1)Br)N(C)C 2230a_100025717457_200000210301 [1,1,0,0,0,0|2,0,0]=4 2048 B12R1.225 CC(c1cccc(c1)Br)N(C)C 269982a_100025717457_200000210301 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 2230a_100025717457_200025704644 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 269982a_100025717457_200025704644 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.225 CC(c1cccc(c1)F)N(C)C 2230a_100000231114_200000210301 [1,1,0,0,0,0|2,0,0]=4 2052 B12R1.225 CC(c1cccc(c1)F)N(C)C 269982a_100000231114_200000210301 [1,1,0,0,0,0|2,0,0]=4 2053 B12R1.225 CC(c1cccc(c1)F)N(C)C 34a_100000231114_200000210301 [1,1,0,0,0,0|2,0,0]=4 2054 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 2230a_100000231114_200025704644 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 269982a_100000231114_200025704644 [1,1,0,0,0,0|2,0,0]=4 2056 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 34a_100000231114_200025704644 [1,1,0,0,0,0|2,0,0]=4 2057 B12R1.225 CN(C)C(=O)c1cccc(c1)O 240690a_100102631434_100000183914 [1,1,0,0,0,0|0,0,2]=4 2058 B12R1.225 CN(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000159571 [1,1,0,0,0,0|0,0,2]=4 2059 B12R1.225 CN(C)C(=O)c1cccc(c1)O 527a_100102631434_100000183914 [1,1,0,0,0,0|0,0,2]=4 2060 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [1,1,0,0,0,0|1,0,1]=4 2061 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [1,1,0,0,0,0|1,0,1]=4 2062 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [1,1,0,0,0,0|1,0,1]=4 2063 B12R1.354 CC(N[13CH3])c1cc(ccc1Br)F 2230a_100012343209_200025704644 [1,1,0,0,0,0|2,0,0]=4 2064 B12R1.354 CC(N[13CH3])c1cc(ccc1Br)F 34a_100012343209_200025704644 [1,1,0,0,0,0|2,0,0]=4 2065 B12R1.354 CC(N[13CH3])c1cc(ccc1Cl)Cl 2230a_100000737532_200025704644 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.354 CC(N[13CH3])c1cc(ccc1Cl)Cl 34a_100000737532_200025704644 [1,1,0,0,0,0|2,0,0]=4 2067 B12R1.354 CC(N[13CH3])c1cc(ccc1F)F 2230a_100000737541_200025704644 [1,1,0,0,0,0|2,0,0]=4 2068 B12R1.354 CC(N[13CH3])c1cc(ccc1F)F 34a_100000737541_200025704644 [1,1,0,0,0,0|2,0,0]=4 2069 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [1,1,0,0,0,0|0,0,2]=4 2070 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [1,1,0,0,0,0|0,0,2]=4 2071 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [1,1,0,0,0,0|0,0,2]=4 2072 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [1,1,0,0,0,0|0,0,2]=4 2073 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [1,1,0,0,0,0|0,0,2]=4 2074 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [1,1,0,0,0,0|0,0,2]=4 2075 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [1,1,0,0,0,0|0,0,2]=4 2076 B12R1.354 CCN(C)c1cc(ccc1C)O 269982a_100000211784_200000210301 [1,1,0,0,0,0|2,0,0]=4 2077 B12R1.354 CCN(C)c1cc(ccc1C)O 34a_100000211784_200000210301 [1,1,0,0,0,0|2,0,0]=4 2078 B12R1.354 CCN([13CH3])c1cc(ccc1C)O 269982a_100000211784_200025704644 [1,1,0,0,0,0|2,0,0]=4 2079 B12R1.354 CCN([13CH3])c1cc(ccc1C)O 34a_100000211784_200025704644 [1,1,0,0,0,0|2,0,0]=4 2080 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [1,1,0,0,0,0|0,0,2]=4 2081 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [1,1,0,0,0,0|0,0,2]=4 2082 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [1,1,0,0,0,0|0,0,2]=4 2083 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [1,1,0,0,0,0|0,0,2]=4 2084 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [1,1,0,0,0,0|0,0,2]=4 2085 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [1,1,0,0,0,0|0,0,2]=4 2086 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [1,1,0,0,0,0|0,0,2]=4 2087 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [1,1,0,0,0,0|0,0,2]=4 2088 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [1,1,0,0,0,0|0,0,2]=4 2089 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [1,1,0,0,0,0|0,0,2]=4 2090 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [1,1,0,0,0,0|0,0,2]=4 2091 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [1,1,0,0,0,0|0,0,2]=4 2092 B12R1.354 CNC(C)c1cc(ccc1Br)Br 269862a_106832991636_100011206948 [1,1,0,0,0,0|2,0,0]=4 2093 B12R1.354 CNC(C)c1cc(ccc1Br)C 269862a_106832991636_100012361225 [1,1,0,0,0,0|2,0,0]=4 2094 B12R1.354 CNC(C)c1cc(ccc1Br)Cl 269862a_106832991636_100012361343 [1,1,0,0,0,0|2,0,0]=4 2095 B12R1.354 CNC(C)c1cc(ccc1Br)F 2230a_100012343209_200000210301 [1,1,0,0,0,0|2,0,0]=4 2096 B12R1.354 CNC(C)c1cc(ccc1Br)F 269862a_106832991636_100012353695 [1,1,0,0,0,0|2,0,0]=4 2097 B12R1.354 CNC(C)c1cc(ccc1Br)F 34a_100012343209_200000210301 [1,1,0,0,0,0|2,0,0]=4 2098 B12R1.354 CNC(C)c1cc(ccc1C)Br 269862a_106832991636_100012706819 [1,1,0,0,0,0|2,0,0]=4 2099 B12R1.354 CNC(C)c1cc(ccc1C)C 269862a_106832991636_100000211711 [1,1,0,0,0,0|2,0,0]=4 2100 B12R1.354 CNC(C)c1cc(ccc1C)Cl 269862a_106832991636_100012002457 [1,1,0,0,0,0|2,0,0]=4 2101 B12R1.354 CNC(C)c1cc(ccc1C)F 2230a_100011191733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2102 B12R1.354 CNC(C)c1cc(ccc1C)F 269862a_106832991636_100011220403 [1,1,0,0,0,0|2,0,0]=4 2103 B12R1.354 CNC(C)c1cc(ccc1C)F 34a_100011191733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2104 B12R1.354 CNC(C)c1cc(ccc1Cl)Br 269862a_106832991636_100011934286 [1,1,0,0,0,0|2,0,0]=4 2105 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 2230a_100000737532_200000210301 [1,1,0,0,0,0|2,0,0]=4 2106 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 269862a_106832991636_100000184594 [1,1,0,0,0,0|2,0,0]=4 2107 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 34a_100000737532_200000210301 [1,1,0,0,0,0|2,0,0]=4 2108 B12R1.354 CNC(C)c1cc(ccc1Cl)F 269862a_106832991636_100011218795 [1,1,0,0,0,0|2,0,0]=4 2109 B12R1.354 CNC(C)c1cc(ccc1Cl)I 269862a_106832991636_100010712560 [1,1,0,0,0,0|2,0,0]=4 2110 B12R1.354 CNC(C)c1cc(ccc1F)Br 269862a_106832991636_100000689017 [1,1,0,0,0,0|2,0,0]=4 2111 B12R1.354 CNC(C)c1cc(ccc1F)C 269862a_106832991636_100000760338 [1,1,0,0,0,0|2,0,0]=4 2112 B12R1.354 CNC(C)c1cc(ccc1F)Cl 269862a_106832991636_100011218796 [1,1,0,0,0,0|2,0,0]=4 2113 B12R1.354 CNC(C)c1cc(ccc1F)F 2230a_100000737541_200000210301 [1,1,0,0,0,0|2,0,0]=4 2114 B12R1.354 CNC(C)c1cc(ccc1F)F 269862a_106832991636_100000185199 [1,1,0,0,0,0|2,0,0]=4 2115 B12R1.354 CNC(C)c1cc(ccc1F)F 34a_100000737541_200000210301 [1,1,0,0,0,0|2,0,0]=4 2116 B12R1.354 CNC(C)c1cc(ccc1F)I 269862a_106832991636_100010254839 [1,1,0,0,0,0|2,0,0]=4 2117 B12R1.354 CNC(C)c1cc(ccc1I)Br 269862a_106832991636_100012349576 [1,1,0,0,0,0|2,0,0]=4 2118 B12R1.354 CNC(C)c1cc(ccc1I)F 269862a_106832991636_100010200798 [1,1,0,0,0,0|2,0,0]=4 2119 B12R1.354 CNC(C)c1cc(ccc1O)Br 269862a_106832991636_100000212127 [1,1,0,0,0,0|2,0,0]=4 2120 B12R1.354 CNC(C)c1cc(ccc1O)C 269862a_106832991636_100000195442 [1,1,0,0,0,0|2,0,0]=4 2121 B12R1.354 CNC(C)c1cc(ccc1O)Cl 269862a_106832991636_100000185566 [1,1,0,0,0,0|2,0,0]=4 2122 B12R1.354 CNC(C)c1cc(ccc1O)F 269862a_106832991636_100000182812 [1,1,0,0,0,0|2,0,0]=4 2123 B12R1.354 CNC(C)c1cc(ccc1O)I 269862a_106832991636_100010712555 [1,1,0,0,0,0|2,0,0]=4 2124 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_200000210301 [1,1,0,0,0,0|2,0,0]=4 2125 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_200000210301 [1,1,0,0,0,0|2,0,0]=4 2126 B12R1.354 CN[C@@H](C)c1cc(ccc1F)Cl 2230a_100000695052_200000210301 [1,1,0,0,0,0|2,0,0]=4 2127 B12R1.354 CN[C@@H](C)c1cc(ccc1F)Cl 34a_100000695052_200000210301 [1,1,0,0,0,0|2,0,0]=4 2128 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 2230a_100160469477_200000210301 [1,1,0,0,0,0|2,0,0]=4 2129 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 34a_100160469477_200000210301 [1,1,0,0,0,0|2,0,0]=4 2130 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 2230a_100011853016_200000210301 [1,1,0,0,0,0|2,0,0]=4 2131 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 34a_100011853016_200000210301 [1,1,0,0,0,0|2,0,0]=4 2132 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 2230a_100011853016_200025704644 [1,1,0,0,0,0|2,0,0]=4 2133 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 34a_100011853016_200025704644 [1,1,0,0,0,0|2,0,0]=4 2134 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1F)Cl 2230a_100000695052_200025704644 [1,1,0,0,0,0|2,0,0]=4 2135 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1F)Cl 34a_100000695052_200025704644 [1,1,0,0,0,0|2,0,0]=4 2136 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 2230a_100160469477_200025704644 [1,1,0,0,0,0|2,0,0]=4 2137 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 34a_100160469477_200025704644 [1,1,0,0,0,0|2,0,0]=4 2138 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 2230a_100000695983_200025704644 [1,1,0,0,0,0|2,0,0]=4 2139 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 34a_100000695983_200025704644 [1,1,0,0,0,0|2,0,0]=4 2140 B12R1.354 Cc1ccc(cc1C(C)N[13CH3])F 2230a_100011191733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2141 B12R1.354 Cc1ccc(cc1C(C)N[13CH3])F 34a_100011191733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2142 B12R1.354 N[C@H](CO)c1cc(ccc1F)O 271570a_203496583355_100010142275 [1,1,0,0,0,0|2,0,0]=4 2143 B12R1.358 CC(N[13CH3])c1cc(cc(c1)Cl)Cl 2230a_100020620772_200025704644 [1,1,0,0,0,0|2,0,0]=4 2144 B12R1.358 CC(N[13CH3])c1cc(cc(c1)Cl)Cl 34a_100020620772_200025704644 [1,1,0,0,0,0|2,0,0]=4 2145 B12R1.358 CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210202 [1,1,0,0,0,0|0,0,2]=4 2146 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210202 [1,1,0,0,0,0|0,0,2]=4 2147 B12R1.358 CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210202 [1,1,0,0,0,0|0,0,2]=4 2148 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [1,1,0,0,0,0|0,0,2]=4 2149 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 240690a_100102657272_100011934545 [1,1,0,0,0,0|0,0,2]=4 2150 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 527a_100102657272_100011934545 [1,1,0,0,0,0|0,0,2]=4 2151 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 240690a_100102657272_100011997059 [1,1,0,0,0,0|0,0,2]=4 2152 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 527a_100102657272_100011997059 [1,1,0,0,0,0|0,0,2]=4 2153 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 11a_106832991635_100012017291 [1,1,0,0,0,0|0,0,2]=4 2154 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 240690a_100102657272_100012017291 [1,1,0,0,0,0|0,0,2]=4 2155 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295653 [1,1,0,0,0,0|0,0,2]=4 2156 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 527a_100102657272_100012017291 [1,1,0,0,0,0|0,0,2]=4 2157 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [1,1,0,0,0,0|0,0,2]=4 2158 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [1,1,0,0,0,0|0,0,2]=4 2159 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 240690a_100102657272_100000690292 [1,1,0,0,0,0|0,0,2]=4 2160 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 527a_100102657272_100000690292 [1,1,0,0,0,0|0,0,2]=4 2161 B12R1.358 CNC(C)c1cc(cc(c1)Br)Br 269862a_106832991636_100012339319 [1,1,0,0,0,0|2,0,0]=4 2162 B12R1.358 CNC(C)c1cc(cc(c1)Br)C 269862a_106832991636_100000694479 [1,1,0,0,0,0|2,0,0]=4 2163 B12R1.358 CNC(C)c1cc(cc(c1)Br)Cl 269862a_106832991636_100012351652 [1,1,0,0,0,0|2,0,0]=4 2164 B12R1.358 CNC(C)c1cc(cc(c1)Br)F 269862a_106832991636_100012361402 [1,1,0,0,0,0|2,0,0]=4 2165 B12R1.358 CNC(C)c1cc(cc(c1)C)C 2230a_100000753145_200000210301 [1,1,0,0,0,0|2,0,0]=4 2166 B12R1.358 CNC(C)c1cc(cc(c1)C)C 269862a_106832991636_100000753124 [1,1,0,0,0,0|2,0,0]=4 2167 B12R1.358 CNC(C)c1cc(cc(c1)C)C 34a_100000753145_200000210301 [1,1,0,0,0,0|2,0,0]=4 2168 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 2230a_100020620772_200000210301 [1,1,0,0,0,0|2,0,0]=4 2169 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 269862a_106832991636_100000686458 [1,1,0,0,0,0|2,0,0]=4 2170 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 34a_100020620772_200000210301 [1,1,0,0,0,0|2,0,0]=4 2171 B12R1.358 CNC(C)c1cc(cc(c1)Cl)F 269862a_106832991636_100000062022 [1,1,0,0,0,0|2,0,0]=4 2172 B12R1.358 CNC(C)c1cc(cc(c1)F)C 269862a_106832991636_100011830400 [1,1,0,0,0,0|2,0,0]=4 2173 B12R1.358 CNC(C)c1cc(cc(c1)F)F 269862a_106832991636_100000748097 [1,1,0,0,0,0|2,0,0]=4 2174 B12R1.358 CNC(C)c1cc(cc(c1)I)Br 269862a_106832991636_100010005435 [1,1,0,0,0,0|2,0,0]=4 2175 B12R1.358 CNC(C)c1cc(cc(c1)O)C 269862a_106832991636_100009855872 [1,1,0,0,0,0|1,0,0]=3 2176 B12R1.358 CN[C@@H](C)c1cc(cc(c1)Cl)F 2230a_100020639286_200000210301 [1,1,0,0,0,0|2,0,0]=4 2177 B12R1.358 CN[C@@H](C)c1cc(cc(c1)Cl)F 34a_100020639286_200000210301 [1,1,0,0,0,0|2,0,0]=4 2178 B12R1.358 CN[C@H](C)c1cc(cc(c1)F)F 2230a_100016987943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2179 B12R1.358 CN[C@H](C)c1cc(cc(c1)F)F 34a_100016987943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2180 B12R1.358 C[C@@H](N[13CH3])c1cc(cc(c1)F)F 2230a_100016987943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2181 B12R1.358 C[C@@H](N[13CH3])c1cc(cc(c1)F)F 34a_100016987943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2182 B12R1.358 C[C@H](N[13CH3])c1cc(cc(c1)Cl)F 2230a_100020639286_200025704644 [1,1,0,0,0,0|2,0,0]=4 2183 B12R1.358 C[C@H](N[13CH3])c1cc(cc(c1)Cl)F 34a_100020639286_200025704644 [1,1,0,0,0,0|2,0,0]=4 2184 B12R1.358 Cc1cc(cc(c1)C(C)N[13CH3])C 2230a_100000753145_200025704644 [1,1,0,0,0,0|2,0,0]=4 2185 B12R1.358 Cc1cc(cc(c1)C(C)N[13CH3])C 34a_100000753145_200025704644 [1,1,0,0,0,0|2,0,0]=4 2186 B12R1.358 N[C@H](CO)c1cc(cc(c1)F)O 271570a_203496583355_100138412358 [1,1,0,0,0,0|2,0,0]=4 2187 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000743459_200025704644 [1,1,0,0,0,0|2,0,0]=4 2188 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000743459_200025704644 [1,1,0,0,0,0|2,0,0]=4 2189 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 2230a_100000756309_200025704644 [1,1,0,0,0,0|2,0,0]=4 2190 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 34a_100000756309_200025704644 [1,1,0,0,0,0|2,0,0]=4 2191 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [1,1,0,0,0,0|0,0,2]=4 2192 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [1,1,0,0,0,0|0,0,2]=4 2193 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [1,1,0,0,0,0|0,0,2]=4 2194 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [1,1,0,0,0,0|0,0,2]=4 2195 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [1,1,0,0,0,0|0,0,2]=4 2196 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [1,1,0,0,0,0|0,0,2]=4 2197 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [1,1,0,0,0,0|0,0,2]=4 2198 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [1,1,0,0,0,0|0,0,2]=4 2199 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [1,1,0,0,0,0|0,0,2]=4 2200 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [1,1,0,0,0,0|0,0,2]=4 2201 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [1,1,0,0,0,0|0,0,2]=4 2202 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [1,1,0,0,0,0|0,0,2]=4 2203 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [1,1,0,0,0,0|0,0,2]=4 2204 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [1,1,0,0,0,0|0,0,2]=4 2205 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [1,1,0,0,0,0|0,0,2]=4 2206 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [1,1,0,0,0,0|0,0,2]=4 2207 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [1,1,0,0,0,0|0,0,2]=4 2208 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [1,1,0,0,0,0|0,0,2]=4 2209 B12R1.367 CNC(C)c1ccc(c(c1)Br)Br 269862a_106832991636_100009814466 [1,1,0,0,0,0|2,0,0]=4 2210 B12R1.367 CNC(C)c1ccc(c(c1)Br)C 269862a_106832991636_100011934287 [1,1,0,0,0,0|2,0,0]=4 2211 B12R1.367 CNC(C)c1ccc(c(c1)Br)Cl 269862a_106832991636_100012356427 [1,1,0,0,0,0|2,0,0]=4 2212 B12R1.367 CNC(C)c1ccc(c(c1)Br)F 269862a_106832991636_100000239719 [1,1,0,0,0,0|2,0,0]=4 2213 B12R1.367 CNC(C)c1ccc(c(c1)Br)I 269862a_106832991636_100010146554 [1,1,0,0,0,0|2,0,0]=4 2214 B12R1.367 CNC(C)c1ccc(c(c1)Br)O 269862a_106832991636_100011772453 [1,1,0,0,0,0|2,0,0]=4 2215 B12R1.367 CNC(C)c1ccc(c(c1)C)Br 269862a_106832991636_100000697869 [1,1,0,0,0,0|2,0,0]=4 2216 B12R1.367 CNC(C)c1ccc(c(c1)C)C 269862a_106832991636_100000210971 [1,1,0,0,0,0|2,0,0]=4 2217 B12R1.367 CNC(C)c1ccc(c(c1)C)Cl 269862a_106832991636_100011216000 [1,1,0,0,0,0|2,0,0]=4 2218 B12R1.367 CNC(C)c1ccc(c(c1)C)F 2230a_100000705826_200000210301 [1,1,0,0,0,0|2,0,0]=4 2219 B12R1.367 CNC(C)c1ccc(c(c1)C)F 269862a_106832991636_100000754758 [1,1,0,0,0,0|2,0,0]=4 2220 B12R1.367 CNC(C)c1ccc(c(c1)C)F 34a_100000705826_200000210301 [1,1,0,0,0,0|2,0,0]=4 2221 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [1,1,0,0,0,0|2,0,0]=4 2222 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Br 269862a_106832991636_100012353846 [1,1,0,0,0,0|2,0,0]=4 2223 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2224 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 269862a_106832991636_100012002458 [1,1,0,0,0,0|2,0,0]=4 2225 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2226 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_200000210301 [1,1,0,0,0,0|2,0,0]=4 2227 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 269862a_106832991636_100000210641 [1,1,0,0,0,0|2,0,0]=4 2228 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_200000210301 [1,1,0,0,0,0|2,0,0]=4 2229 B12R1.367 CNC(C)c1ccc(c(c1)Cl)F 269862a_106832991636_100000737303 [1,1,0,0,0,0|2,0,0]=4 2230 B12R1.367 CNC(C)c1ccc(c(c1)Cl)O 269862a_106832991636_100000188625 [1,1,0,0,0,0|2,0,0]=4 2231 B12R1.367 CNC(C)c1ccc(c(c1)F)Br 269862a_106832991636_100000690002 [1,1,0,0,0,0|2,0,0]=4 2232 B12R1.367 CNC(C)c1ccc(c(c1)F)C 269862a_106832991636_100000767010 [1,1,0,0,0,0|2,0,0]=4 2233 B12R1.367 CNC(C)c1ccc(c(c1)F)Cl 269862a_106832991636_100000693814 [1,1,0,0,0,0|2,0,0]=4 2234 B12R1.367 CNC(C)c1ccc(c(c1)F)F 2230a_100000756309_200000210301 [1,1,0,0,0,0|2,0,0]=4 2235 B12R1.367 CNC(C)c1ccc(c(c1)F)F 269862a_106832991636_100000184692 [1,1,0,0,0,0|2,0,0]=4 2236 B12R1.367 CNC(C)c1ccc(c(c1)F)F 34a_100000756309_200000210301 [1,1,0,0,0,0|2,0,0]=4 2237 B12R1.367 CNC(C)c1ccc(c(c1)F)O 269862a_106832991636_100000751691 [1,1,0,0,0,0|2,0,0]=4 2238 B12R1.367 CNC(C)c1ccc(c(c1)I)Br 269862a_106832991636_100010146556 [1,1,0,0,0,0|2,0,0]=4 2239 B12R1.367 CNC(C)c1ccc(c(c1)O)C 269862a_106832991636_100000084092 [1,1,0,0,0,0|1,0,0]=3 2240 B12R1.367 CNC(C)c1ccc(c(c1)O)F 269862a_106832991636_100000117923 [1,1,0,0,0,0|1,0,0]=3 2241 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_200000210301 [1,1,0,0,0,0|2,0,0]=4 2242 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_200000210301 [1,1,0,0,0,0|2,0,0]=4 2243 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_200000210301 [1,1,0,0,0,0|2,0,0]=4 2244 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_200000210301 [1,1,0,0,0,0|2,0,0]=4 2245 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_200000210301 [1,1,0,0,0,0|2,0,0]=4 2246 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_200000210301 [1,1,0,0,0,0|2,0,0]=4 2247 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_200000210301 [1,1,0,0,0,0|2,0,0]=4 2248 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_200000210301 [1,1,0,0,0,0|2,0,0]=4 2249 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_200000210301 [1,1,0,0,0,0|2,0,0]=4 2250 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_200000210301 [1,1,0,0,0,0|2,0,0]=4 2251 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_200000210301 [1,1,0,0,0,0|2,0,0]=4 2252 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_200000210301 [1,1,0,0,0,0|2,0,0]=4 2253 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 2230a_100016987892_200025704644 [1,1,0,0,0,0|2,0,0]=4 2254 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 34a_100016987892_200025704644 [1,1,0,0,0,0|2,0,0]=4 2255 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 2230a_100016987903_200025704644 [1,1,0,0,0,0|2,0,0]=4 2256 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 34a_100016987903_200025704644 [1,1,0,0,0,0|2,0,0]=4 2257 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 2230a_100000753309_200025704644 [1,1,0,0,0,0|2,0,0]=4 2258 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 34a_100000753309_200025704644 [1,1,0,0,0,0|2,0,0]=4 2259 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 2230a_100134618348_200025704644 [1,1,0,0,0,0|2,0,0]=4 2260 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 34a_100134618348_200025704644 [1,1,0,0,0,0|2,0,0]=4 2261 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 2230a_100000705826_200025704644 [1,1,0,0,0,0|2,0,0]=4 2262 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 34a_100000705826_200025704644 [1,1,0,0,0,0|2,0,0]=4 2263 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 2230a_100015184928_200025704644 [1,1,0,0,0,0|2,0,0]=4 2264 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 34a_100015184928_200025704644 [1,1,0,0,0,0|2,0,0]=4 2265 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 2230a_100012005020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2266 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 34a_100012005020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2267 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 2230a_100011997884_200025704644 [1,1,0,0,0,0|2,0,0]=4 2268 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 34a_100011997884_200025704644 [1,1,0,0,0,0|2,0,0]=4 2269 B12R1.435 C=Cc1cccc(c1)C(C)NC 271570a_100011290941_100025717457 [1,1,0,0,0,0|2,0,0]=4 2270 B12R1.435 C=Cc1cccc(c1)C(O)CC 271570a_100011290941_200013212081 [1,1,0,0,0,0|1,0,0]=3 2271 B12R1.435 C=Cc1cccc(c1)[C@@H](N)CC 271570a_100011290941_100102422761 [1,1,0,0,0,0|2,0,0]=4 2272 B12R1.435 CC(N[13CH3])c1cccc(c1)C#N 2230a_100016987922_200025704644 [1,1,0,0,0,0|2,0,0]=4 2273 B12R1.435 CC(N[13CH3])c1cccc(c1)C#N 34a_100016987922_200025704644 [1,1,0,0,0,0|2,0,0]=4 2274 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [1,1,0,0,0,0|0,0,2]=4 2275 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [1,1,0,0,0,0|0,0,2]=4 2276 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [1,1,0,0,0,0|0,0,2]=4 2277 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [1,1,0,0,0,0|0,0,2]=4 2278 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [1,1,0,0,0,0|0,0,2]=4 2279 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [1,1,0,0,0,0|0,0,2]=4 2280 B12R1.435 CCC(N)c1cccc(c1)OC 34a_100159312145_200000210301 [1,1,0,0,0,0|1,0,0]=3 2281 B12R1.435 CCC(N)c1cccc(c1)O[13CH3] 34a_100159312145_200025704644 [1,1,0,0,0,0|1,0,0]=3 2282 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200000210301_200013212081 [1,1,0,0,0,0|0,1,0]=3 2283 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200013212081_200000210301 [1,1,0,0,0,0|0,1,0]=3 2284 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200013212081_200025704644 [1,1,0,0,0,0|0,1,0]=3 2285 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200013212081 [1,1,0,0,0,0|0,1,0]=3 2286 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2287 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2288 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219725_100000204670 [1,1,0,0,0,0|2,0,0]=4 2289 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2290 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2291 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2292 B12R1.435 CCN([13CH3])c1cccc(c1)OC 2230a_100000219733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2293 B12R1.435 CCN([13CH3])c1cccc(c1)OC 269982a_100000219733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2294 B12R1.435 CCN([13CH3])c1cccc(c1)OC 34a_100000219733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2295 B12R1.435 CC[C@H](N)c1cccc(c1)SC 62a_100102422761_200000210301 [1,1,0,0,0,0|1,1,0]=4 2296 B12R1.435 CC[C@H](N)c1cccc(c1)SC 62a_200000210301_100102422761 [1,1,0,0,0,0|1,1,0]=4 2297 B12R1.435 CC[C@H](N)c1cccc(c1)S[13CH3] 62a_100102422761_200025704644 [1,1,0,0,0,0|1,1,0]=4 2298 B12R1.435 CC[C@H](N)c1cccc(c1)S[13CH3] 62a_200025704644_100102422761 [1,1,0,0,0,0|1,1,0]=4 2299 B12R1.435 CCc1cccc(c1)C(C)NC 269862a_106832991636_100011220055 [1,1,0,0,0,0|2,0,0]=4 2300 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [1,1,0,0,0,0|0,0,2]=4 2301 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [1,1,0,0,0,0|0,0,2]=4 2302 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [1,1,0,0,0,0|0,0,2]=4 2303 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [1,1,0,0,0,0|0,0,2]=4 2304 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [1,1,0,0,0,0|0,0,2]=4 2305 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [1,1,0,0,0,0|0,0,2]=4 2306 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [1,1,0,0,0,0|0,0,2]=4 2307 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [1,1,0,0,0,0|0,0,2]=4 2308 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [1,1,0,0,0,0|0,0,2]=4 2309 B12R1.435 CNC(C)c1cc(ccn1)OC 2230a_100009966388_200000210301 [1,1,0,0,0,0|2,0,0]=4 2310 B12R1.435 CNC(C)c1cc(ccn1)OC 269862a_106832991636_100000099827 [1,1,0,0,0,0|2,0,0]=4 2311 B12R1.435 CNC(C)c1cc(ccn1)OC 270004a_106832991635_100000099827 [1,1,0,0,0,0|2,0,0]=4 2312 B12R1.435 CNC(C)c1cccc(c1)C#N 2230a_100016987922_200000210301 [1,1,0,0,0,0|2,0,0]=4 2313 B12R1.435 CNC(C)c1cccc(c1)C#N 269862a_106832991636_100000738961 [1,1,0,0,0,0|2,0,0]=4 2314 B12R1.435 CNC(C)c1cccc(c1)C#N 34a_100016987922_200000210301 [1,1,0,0,0,0|2,0,0]=4 2315 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [1,1,0,0,0,0|1,0,0]=3 2316 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [1,1,0,0,0,0|1,0,0]=3 2317 B12R1.435 CNC(C)c1cccc(c1)SC 62a_100025717457_200000210301 [1,1,0,0,0,0|1,1,0]=4 2318 B12R1.435 CNC(C)c1cccc(c1)SC 62a_200000210301_100025717457 [1,1,0,0,0,0|1,1,0]=4 2319 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_100025717457_200025704644 [1,1,0,0,0,0|1,1,0]=4 2320 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100025717457 [1,1,0,0,0,0|1,1,0]=4 2321 B12R1.435 CNC(C)c1cccc(n1)OC 269862a_106832991636_100000069440 [1,1,0,0,0,0|2,0,0]=4 2322 B12R1.435 CNC(C)c1ccnc(c1)OC 269862a_106832991636_100000708580 [1,1,0,0,0,0|2,0,0]=4 2323 B12R1.435 CNC(C)c1cncc(c1)OC 269862a_106832991636_200011998261 [1,1,0,0,0,0|2,0,0]=4 2324 B12R1.435 CN[C@@H](C)c1ccnc(c1)OC 2230a_100012186823_200000210301 [1,1,0,0,0,0|2,0,0]=4 2325 B12R1.435 CN[C@H](C)c1cccc(n1)OC 2230a_100016223015_200000210301 [1,1,0,0,0,0|2,0,0]=4 2326 B12R1.435 COc1cc(ccn1)[C@H](C)N[13CH3] 2230a_100012186823_200025704644 [1,1,0,0,0,0|2,0,0]=4 2327 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [1,1,0,0,0,0|1,0,0]=3 2328 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [1,1,0,0,0,0|2,0,0]=4 2329 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [1,1,0,0,0,0|2,0,0]=4 2330 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [1,1,0,0,0,0|2,0,0]=4 2331 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [1,1,0,0,0,0|2,0,0]=4 2332 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [1,1,0,0,0,0|2,0,0]=4 2333 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [1,1,0,0,0,0|0,0,0]=2 2334 B12R1.435 COc1cccc(n1)[C@@H](C)N[13CH3] 2230a_100016223015_200025704644 [1,1,0,0,0,0|2,0,0]=4 2335 B12R1.435 COc1ccnc(c1)C(C)N[13CH3] 2230a_100009966388_200025704644 [1,1,0,0,0,0|2,0,0]=4 2336 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [1,1,0,0,0,0|2,0,0]=4 2337 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [1,1,0,0,0,0|0,0,0]=2 2338 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [1,1,0,0,0,0|1,0,0]=3 2339 B12R1.25 CCCCc1cccc(c1C)Br 271570a_100020621405_100012353703 [1,1,0,0,0,0|2,0,0]=4 2340 B12R1.25 CCCCc1cccc(c1C)C 271570a_100020621405_100011214922 [1,1,0,0,0,0|2,0,0]=4 2341 B12R1.25 CCCCc1cccc(c1C)Cl 271570a_100020621405_100000726075 [1,1,0,0,0,0|2,0,0]=4 2342 B12R1.25 CCCCc1cccc(c1C)F 271570a_100020621405_100011216893 [1,1,0,0,0,0|2,0,0]=4 2343 B12R1.25 CCCCc1cccc(c1C)N 271570a_100020621405_100000761887 [1,1,0,0,0,0|2,0,0]=4 2344 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [1,1,0,0,0,0|1,0,0]=3 2345 B12R1.25 CCCCc1cccc(c1Cl)Br 271570a_100020621405_100010142854 [1,1,0,0,0,0|2,0,0]=4 2346 B12R1.25 CCCCc1cccc(c1Cl)C 271570a_100020621405_200012352035 [1,1,0,0,0,0|2,0,0]=4 2347 B12R1.25 CCCCc1cccc(c1Cl)Cl 271570a_100020621405_100011215384 [1,1,0,0,0,0|2,0,0]=4 2348 B12R1.25 CCCCc1cccc(c1Cl)F 271570a_100020621405_200010234923 [1,1,0,0,0,0|2,0,0]=4 2349 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [1,1,0,0,0,0|1,0,0]=3 2350 B12R1.25 CCCCc1cccc(c1F)Br 271570a_100020621405_100000702267 [1,1,0,0,0,0|2,0,0]=4 2351 B12R1.25 CCCCc1cccc(c1F)C 271570a_100020621405_100000717567 [1,1,0,0,0,0|2,0,0]=4 2352 B12R1.25 CCCCc1cccc(c1F)Cl 271570a_100020621405_100011217346 [1,1,0,0,0,0|2,0,0]=4 2353 B12R1.25 CCCCc1cccc(c1F)F 271570a_100020621405_100000694657 [1,1,0,0,0,0|2,0,0]=4 2354 B12R1.25 CCCCc1cccc(c1F)N 271570a_100020621405_100011935091 [1,1,0,0,0,0|2,0,0]=4 2355 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [1,1,0,0,0,0|1,0,0]=3 2356 B12R1.25 CCCCc1cccc(c1N)Br 271570a_100020621405_100010146558 [1,1,0,0,0,0|2,0,0]=4 2357 B12R1.25 CCCCc1cccc(c1N)C 271570a_100020621405_100011834072 [1,1,0,0,0,0|2,0,0]=4 2358 B12R1.25 CCCCc1cccc(c1N)Cl 271570a_100020621405_100010190421 [1,1,0,0,0,0|2,0,0]=4 2359 B12R1.25 CCCCc1cccc(c1N)F 271570a_100020621405_100000042321 [1,1,0,0,0,0|2,0,0]=4 2360 B12R1.25 CCCCc1cccc(c1N)N 271570a_100020621405_100015191791 [1,1,0,0,0,0|2,0,0]=4 2361 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [1,1,0,0,0,0|1,0,0]=3 2362 B12R1.25 CCCCc1cccc(c1O)Br 271570a_100020621405_100010084509 [1,1,0,0,0,0|2,0,0]=4 2363 B12R1.25 CCCCc1cccc(c1O)C 271570a_100020621405_100009817157 [1,1,0,0,0,0|2,0,0]=4 2364 B12R1.25 CCCCc1cccc(c1O)Cl 271570a_100020621405_100010202889 [1,1,0,0,0,0|2,0,0]=4 2365 B12R1.25 CCCCc1cccc(c1O)F 271570a_100020621405_100009813666 [1,1,0,0,0,0|2,0,0]=4 2366 B12R1.25 CCCCc1cccc(c1O)N 271570a_100020621405_100011934915 [1,1,0,0,0,0|2,0,0]=4 2367 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [1,1,0,0,0,0|1,0,0]=3 2368 B12R1.25 CCCCc1ccnc(c1C)O 271570a_100020621405_100009858498 [1,1,0,0,0,0|2,0,0]=4 2369 B12R1.25 CCCCc1nccc(c1F)O 271570a_100020621405_100009876375 [1,1,0,0,0,0|2,0,0]=4 2370 B12R1.25 CCCCc1nccc(c1N)O 271570a_100020621405_100000128729 [1,1,0,0,0,0|2,0,0]=4 2371 B12R1.25 CCCNc1cccc(c1Br)O 34a_100012183704_100000210303 [1,1,0,0,0,0|2,0,0]=4 2372 B12R1.25 CCCNc1cccc(c1Br)O 7a_100012183704_100000210303 [1,1,0,0,0,0|2,0,0]=4 2373 B12R1.25 CCCNc1cccc(c1C)O 34a_100011216573_100000210303 [1,1,0,0,0,0|2,0,0]=4 2374 B12R1.25 CCCNc1cccc(c1C)O 7a_100011216573_100000210303 [1,1,0,0,0,0|2,0,0]=4 2375 B12R1.25 CCCNc1cccc(c1Cl)O 34a_100012002038_100000210303 [1,1,0,0,0,0|2,0,0]=4 2376 B12R1.25 CCCNc1cccc(c1Cl)O 7a_100012002038_100000210303 [1,1,0,0,0,0|2,0,0]=4 2377 B12R1.25 CCCSc1cccc(c1Br)O 62a_100000210303_100010187914 [1,1,0,0,0,0|2,0,0]=4 2378 B12R1.25 CCCSc1cccc(c1Br)O 62a_100010187914_100000210303 [1,1,0,0,0,0|2,0,0]=4 2379 B12R1.25 CCCSc1cccc(c1C)O 62a_100000210303_100012002258 [1,1,0,0,0,0|2,0,0]=4 2380 B12R1.25 CCCSc1cccc(c1C)O 62a_100012002258_100000210303 [1,1,0,0,0,0|2,0,0]=4 2381 B12R1.25 CCCSc1cccc(c1Cl)O 62a_100000210303_100000049636 [1,1,0,0,0,0|2,0,0]=4 2382 B12R1.25 CCCSc1cccc(c1F)O 62a_100000210303_100009817021 [1,1,0,0,0,0|2,0,0]=4 2383 B12R1.25 CCCSc1cccc(c1F)O 62a_100009817021_100000210303 [1,1,0,0,0,0|2,0,0]=4 2384 B12R1.25 CCCSc1cccc(c1N)O 62a_100000210303_100011934926 [1,1,0,0,0,0|2,0,0]=4 2385 B12R1.25 CCCSc1cccc(c1O)O 62a_100000210303_100009815950 [1,1,0,0,0,0|2,0,0]=4 2386 B12R1.25 CCNCc1cccc(c1C)O 270004a_100015525214_100009868165 [1,1,0,0,0,0|2,0,0]=4 2387 B12R1.25 CCNCc1cccc(c1Cl)O 270004a_100015525214_100000050521 [1,1,0,0,0,0|2,0,0]=4 2388 B12R1.25 CCNCc1cccc(c1F)O 34a_100025773512_100000210202 [1,1,0,0,0,0|2,0,0]=4 2389 B12R1.25 CNCCc1cccc(c1C)Br 2230a_100161000114_200000210301 [1,1,0,0,0,0|1,0,0]=3 2390 B12R1.25 CNCCc1cccc(c1C)Br 34a_100161000114_200000210301 [1,1,0,0,0,0|1,0,0]=3 2391 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_100000741019_200000210301 [1,1,0,0,0,0|1,0,0]=3 2392 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_106832991635_100000723033 [1,1,0,0,0,0|1,0,0]=3 2393 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100000741019_200000210301 [1,1,0,0,0,0|1,0,0]=3 2394 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100102657272_100000723033 [1,1,0,0,0,0|1,0,0]=3 2395 B12R1.25 CNCCc1cccc(c1Cl)Cl 7a_106832991635_100000723033 [1,1,0,0,0,0|1,0,0]=3 2396 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100011754357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2397 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100138415774_100000723033 [1,1,0,0,0,0|2,0,0]=4 2398 B12R1.25 COCCc1cccc(c1Cl)Cl 7a_100011754357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2399 B12R1.25 COCCc1cccc(c1F)Cl 34a_100011830271_200000210301 [1,1,0,0,0,0|2,0,0]=4 2400 B12R1.25 COCCc1cccc(c1F)Cl 7a_100011830271_200000210301 [1,1,0,0,0,0|2,0,0]=4 2401 B12R1.25 COCCc1cccc(c1F)F 34a_100000698707_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B12R1.25 COCCc1cccc(c1F)F 7a_100000698707_200000210301 [1,1,0,0,0,0|2,0,0]=4 2403 B12R1.25 COCSc1cccc(c1Br)O 62a_100000766300_100010187914 [1,1,0,0,0,0|2,0,0]=4 2404 B12R1.25 COCSc1cccc(c1Br)O 62a_100010187914_100000766300 [1,1,0,0,0,0|2,0,0]=4 2405 B12R1.25 COCSc1cccc(c1C)O 62a_100000766300_100012002258 [1,1,0,0,0,0|2,0,0]=4 2406 B12R1.25 COCSc1cccc(c1C)O 62a_100012002258_100000766300 [1,1,0,0,0,0|2,0,0]=4 2407 B12R1.25 COCSc1cccc(c1Cl)O 62a_100000766300_100000049636 [1,1,0,0,0,0|2,0,0]=4 2408 B12R1.25 COCSc1cccc(c1F)O 62a_100000766300_100009817021 [1,1,0,0,0,0|2,0,0]=4 2409 B12R1.25 COCSc1cccc(c1F)O 62a_100009817021_100000766300 [1,1,0,0,0,0|2,0,0]=4 2410 B12R1.25 COCSc1cccc(c1N)O 62a_100000766300_100011934926 [1,1,0,0,0,0|2,0,0]=4 2411 B12R1.25 COCSc1cccc(c1O)O 62a_100000766300_100009815950 [1,1,0,0,0,0|2,0,0]=4 2412 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_100000723033_200000210301 [1,1,0,0,0,0|2,0,0]=4 2413 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_200000210301_100000723033 [1,1,0,0,0,0|2,0,0]=4 2414 B12R1.25 CSCNc1cccc(c1Br)O 34a_100012183704_100011218213 [1,1,0,0,0,0|2,0,0]=4 2415 B12R1.25 CSCNc1cccc(c1C)O 34a_100011216573_100011218213 [1,1,0,0,0,0|2,0,0]=4 2416 B12R1.25 CSCNc1cccc(c1Cl)O 34a_100012002038_100011218213 [1,1,0,0,0,0|2,0,0]=4 2417 B12R1.25 CSCSc1cccc(c1Br)O 62a_100010187914_100011218213 [1,1,0,0,0,0|2,0,0]=4 2418 B12R1.25 CSCSc1cccc(c1Br)O 62a_100011218213_100010187914 [1,1,0,0,0,0|2,0,0]=4 2419 B12R1.25 CSCSc1cccc(c1C)O 62a_100011218213_100012002258 [1,1,0,0,0,0|2,0,0]=4 2420 B12R1.25 CSCSc1cccc(c1C)O 62a_100012002258_100011218213 [1,1,0,0,0,0|2,0,0]=4 2421 B12R1.25 CSCSc1cccc(c1Cl)O 62a_100011218213_100000049636 [1,1,0,0,0,0|2,0,0]=4 2422 B12R1.25 CSCSc1cccc(c1F)O 62a_100009817021_100011218213 [1,1,0,0,0,0|2,0,0]=4 2423 B12R1.25 CSCSc1cccc(c1F)O 62a_100011218213_100009817021 [1,1,0,0,0,0|2,0,0]=4 2424 B12R1.25 CSCSc1cccc(c1N)O 62a_100011218213_100011934926 [1,1,0,0,0,0|2,0,0]=4 2425 B12R1.25 CSCSc1cccc(c1O)O 62a_100011218213_100009815950 [1,1,0,0,0,0|2,0,0]=4 2426 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 2230a_100161000114_200025704644 [1,1,0,0,0,0|1,0,0]=3 2427 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 34a_100161000114_200025704644 [1,1,0,0,0,0|1,0,0]=3 2428 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 2230a_100000741019_200025704644 [1,1,0,0,0,0|1,0,0]=3 2429 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 34a_100000741019_200025704644 [1,1,0,0,0,0|1,0,0]=3 2430 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 34a_100011754357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2431 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 7a_100011754357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2432 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 34a_100011830271_200025704644 [1,1,0,0,0,0|2,0,0]=4 2433 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 7a_100011830271_200025704644 [1,1,0,0,0,0|2,0,0]=4 2434 B12R1.25 [13CH3]OCCc1cccc(c1F)F 34a_100000698707_200025704644 [1,1,0,0,0,0|2,0,0]=4 2435 B12R1.25 [13CH3]OCCc1cccc(c1F)F 7a_100000698707_200025704644 [1,1,0,0,0,0|2,0,0]=4 2436 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_100000723033_200025704644 [1,1,0,0,0,0|2,0,0]=4 2437 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_200025704644_100000723033 [1,1,0,0,0,0|2,0,0]=4 2438 B12R1.28 C#CCCNc1cccc(c1)O 34a_100000210217_100000688953 [1,1,0,0,0,0|1,0,1]=4 2439 B12R1.28 C#CCCSc1cccc(c1)O 62a_100000688953_100000211634 [1,1,0,0,0,0|1,0,1]=4 2440 B12R1.28 C#CCNCc1cccc(c1)O 2230a_100000743036_100000038162 [1,1,0,0,0,0|1,0,1]=4 2441 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000212058_100011660834 [1,1,0,0,0,0|1,0,1]=4 2442 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000743036_100000184674 [1,1,0,0,0,0|1,0,1]=4 2443 B12R1.28 C#CCOCc1cccc(c1)O 34a_100000210247_100011660834 [1,1,0,0,0,0|1,0,1]=4 2444 B12R1.28 C#CCSCc1cccc(c1)O 62a_100000038162_100011660834 [1,1,0,0,0,0|1,0,1]=4 2445 B12R1.28 C/C=C/CNc1cccc(c1)O 34a_100000210217_100102629194 [1,1,0,0,0,0|1,0,1]=4 2446 B12R1.28 C/C=C/CSc1cccc(c1)O 62a_100102629194_100000211634 [1,1,0,0,0,0|1,0,1]=4 2447 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [1,1,0,0,0,0|1,0,1]=4 2448 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [1,1,0,0,0,0|1,0,1]=4 2449 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [1,1,0,0,0,0|1,0,1]=4 2450 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [1,1,0,0,0,0|1,0,1]=4 2451 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [1,1,0,0,0,0|1,0,1]=4 2452 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [1,1,0,0,0,0|1,0,1]=4 2453 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [1,1,0,0,0,0|1,0,1]=4 2454 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [1,1,0,0,0,0|1,0,1]=4 2455 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [1,1,0,0,0,0|1,0,1]=4 2456 B12R1.28 CC#CCNc1cccc(c1)O 34a_100000210217_100000748600 [1,1,0,0,0,0|1,0,1]=4 2457 B12R1.28 CC#CCSc1cccc(c1)O 62a_100000748600_100000211634 [1,1,0,0,0,0|1,0,1]=4 2458 B12R1.28 CC=CCNc1cccc(c1)O 34a_100000210217_100000070051 [1,1,0,0,0,0|1,0,1]=4 2459 B12R1.28 CC=CCSc1cccc(c1)O 62a_100000070051_100000211634 [1,1,0,0,0,0|1,0,1]=4 2460 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [1,1,0,0,0,0|1,0,1]=4 2461 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [1,1,0,0,0,0|2,0,0]=4 2462 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [1,1,0,0,0,0|2,0,0]=4 2463 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [1,1,0,0,0,0|2,0,0]=4 2464 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [1,1,0,0,0,0|2,0,0]=4 2465 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [1,1,0,0,0,0|2,0,0]=4 2466 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [1,1,0,0,0,0|2,0,0]=4 2467 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [1,1,0,0,0,0|1,0,0]=3 2468 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [1,1,0,0,0,0|2,0,0]=4 2469 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [1,1,0,0,0,0|2,0,0]=4 2470 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [1,1,0,0,0,0|2,0,0]=4 2471 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [1,1,0,0,0,0|2,0,0]=4 2472 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [1,1,0,0,0,0|2,0,0]=4 2474 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [1,1,0,0,0,0|2,0,0]=4 2475 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [1,1,0,0,0,0|2,0,0]=4 2476 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [1,1,0,0,0,0|2,0,0]=4 2477 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [1,1,0,0,0,0|2,0,0]=4 2478 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [1,1,0,0,0,0|2,0,0]=4 2479 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [1,1,0,0,0,0|1,0,0]=3 2480 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [1,1,0,0,0,0|2,0,0]=4 2481 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [1,1,0,0,0,0|2,0,0]=4 2482 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [1,1,0,0,0,0|2,0,0]=4 2484 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [1,1,0,0,0,0|2,0,0]=4 2485 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [1,1,0,0,0,0|2,0,0]=4 2486 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [1,1,0,0,0,0|2,0,0]=4 2487 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [1,1,0,0,0,0|2,0,0]=4 2488 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [1,1,0,0,0,0|2,0,0]=4 2489 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [1,1,0,0,0,0|2,0,0]=4 2490 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [1,1,0,0,0,0|2,0,0]=4 2491 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [1,1,0,0,0,0|2,0,0]=4 2492 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [1,1,0,0,0,0|1,0,0]=3 2493 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [1,1,0,0,0,0|1,0,0]=3 2494 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [1,1,0,0,0,0|1,1,0]=4 2495 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [1,1,0,0,0,0|1,1,0]=4 2496 B12R1.28 CCCCSc1cncc(c1)O 62a_100000210211_100000754920 [1,1,0,0,0,0|2,0,0]=4 2497 B12R1.28 CCCCSc1cncc(c1)O 62a_100000754920_100000210210 [1,1,0,0,0,0|2,0,0]=4 2498 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [1,1,0,0,0,0|2,0,0]=4 2499 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [1,1,0,0,0,0|2,0,0]=4 2500 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [1,1,0,0,0,0|2,0,0]=4 2501 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [1,1,0,0,0,0|2,0,0]=4 2502 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [1,1,0,0,0,0|2,0,0]=4 2503 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [1,1,0,0,0,0|2,0,0]=4 2505 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [1,1,0,0,0,0|2,0,0]=4 2506 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [1,1,0,0,0,0|2,0,0]=4 2507 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [1,1,0,0,0,0|2,0,0]=4 2508 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [1,1,0,0,0,0|2,0,0]=4 2509 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [1,1,0,0,0,0|2,0,0]=4 2510 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [1,1,0,0,0,0|2,0,0]=4 2511 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [1,1,0,0,0,0|2,0,0]=4 2512 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [1,1,0,0,0,0|2,0,0]=4 2513 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [1,1,0,0,0,0|2,0,0]=4 2514 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [1,1,0,0,0,0|2,0,0]=4 2515 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [1,1,0,0,0,0|2,0,0]=4 2516 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [1,1,0,0,0,0|2,0,0]=4 2517 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [1,1,0,0,0,0|2,0,0]=4 2518 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [1,1,0,0,0,0|1,0,0]=3 2519 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [1,1,0,0,0,0|1,0,0]=3 2520 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [1,1,0,0,0,0|1,0,0]=3 2521 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [1,1,0,0,0,0|1,0,0]=3 2522 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [1,1,0,0,0,0|1,0,0]=3 2523 B12R1.28 CCCNCc1ccnc(c1)O 207a_100020643023_100000688113 [1,1,0,0,0,0|2,0,0]=4 2524 B12R1.28 CCCNCc1cncc(c1)O 207a_100020643023_100012187055 [1,1,0,0,0,0|2,0,0]=4 2525 B12R1.28 CCCNCc1cncc(c1)O 270004a_100020643023_100012187055 [1,1,0,0,0,0|2,0,0]=4 2526 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [1,1,0,0,0,0|2,0,0]=4 2527 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [1,1,0,0,0,0|2,0,0]=4 2528 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [1,1,0,0,0,0|2,0,0]=4 2529 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [1,1,0,0,0,0|2,0,0]=4 2530 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [1,1,0,0,0,0|2,0,0]=4 2531 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [1,1,0,0,0,0|2,0,0]=4 2532 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [1,1,0,0,0,0|2,0,0]=4 2533 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [1,1,0,0,0,0|2,0,0]=4 2534 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [1,1,0,0,0,0|2,0,0]=4 2535 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [1,1,0,0,0,0|2,0,0]=4 2536 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [1,1,0,0,0,0|2,0,0]=4 2537 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [1,1,0,0,0,0|2,0,0]=4 2538 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [1,1,0,0,0,0|2,0,0]=4 2539 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [1,1,0,0,0,0|2,0,0]=4 2540 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [1,1,0,0,0,0|2,0,0]=4 2541 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [1,1,0,0,0,0|2,0,0]=4 2542 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [1,1,0,0,0,0|1,0,0]=3 2543 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [1,1,0,0,0,0|2,0,0]=4 2544 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [1,1,0,0,0,0|2,0,0]=4 2545 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [1,1,0,0,0,0|2,0,0]=4 2546 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [1,1,0,0,0,0|2,0,0]=4 2547 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [1,1,0,0,0,0|2,0,0]=4 2548 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [1,1,0,0,0,0|2,0,0]=4 2549 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [1,1,0,0,0,0|2,0,0]=4 2550 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [1,1,0,0,0,0|2,0,0]=4 2551 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [1,1,0,0,0,0|2,0,0]=4 2552 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [1,1,0,0,0,0|2,0,0]=4 2553 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [1,1,0,0,0,0|1,0,0]=3 2554 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [1,1,0,0,0,0|1,0,0]=3 2555 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [1,1,0,0,0,0|1,0,0]=3 2556 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [1,1,0,0,0,0|1,0,0]=3 2557 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [1,1,0,0,0,0|1,0,0]=3 2558 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [1,1,0,0,0,0|1,0,0]=3 2559 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [1,1,0,0,0,0|1,0,0]=3 2560 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [1,1,0,0,0,0|1,0,0]=3 2561 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [1,1,0,0,0,0|1,0,0]=3 2562 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [1,1,0,0,0,0|1,0,0]=3 2563 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [1,1,0,0,0,0|1,0,0]=3 2564 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [1,1,0,0,0,0|1,0,0]=3 2565 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [1,1,0,0,0,0|1,0,0]=3 2566 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [1,1,0,0,0,0|1,0,0]=3 2567 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [1,1,0,0,0,0|0,0,0]=2 2568 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [1,1,0,0,0,0|0,0,0]=2 2569 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [1,1,0,0,0,0|2,0,0]=4 2570 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [1,1,0,0,0,0|2,0,0]=4 2571 B12R1.28 CCNN=Cc1cccc(c1)O 4a_100000756455_100000188321 [1,1,0,0,0,0|1,0,1]=4 2572 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [1,1,0,0,0,0|2,0,0]=4 2573 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [1,1,0,0,0,0|2,0,0]=4 2574 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [1,1,0,0,0,0|2,0,0]=4 2575 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [1,1,0,0,0,0|2,0,0]=4 2576 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [1,1,0,0,0,0|2,0,0]=4 2577 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [1,1,0,0,0,0|2,0,0]=4 2578 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [1,1,0,0,0,0|2,0,0]=4 2579 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [1,1,0,0,0,0|2,0,0]=4 2580 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [1,1,0,0,0,0|2,0,0]=4 2581 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [1,1,0,0,0,0|2,0,0]=4 2582 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [1,1,0,0,0,0|2,0,0]=4 2583 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [1,1,0,0,0,0|2,0,0]=4 2584 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [1,1,0,0,0,0|2,0,0]=4 2585 B12R1.28 CCOCSc1cccc(c1)O 62a_100000739092_100000211634 [1,1,0,0,0,0|2,0,0]=4 2586 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [1,1,0,0,0,0|2,0,0]=4 2587 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [1,1,0,0,0,0|2,0,0]=4 2589 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [1,1,0,0,0,0|2,0,0]=4 2590 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [1,1,0,0,0,0|2,0,0]=4 2591 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [1,1,0,0,0,0|2,0,0]=4 2592 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [1,1,0,0,0,0|2,0,0]=4 2593 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [1,1,0,0,0,0|2,0,0]=4 2594 B12R1.28 CNCC#Cc1cccc(c1)Br 2230a_106832991635_100010706776 [1,1,0,0,0,0|1,0,1]=4 2595 B12R1.28 CNCC#Cc1cccc(c1)Br 34a_100102657272_100010706776 [1,1,0,0,0,0|1,0,1]=4 2596 B12R1.28 CNCC#Cc1cccc(c1)Br 7a_106832991635_100010706776 [1,1,0,0,0,0|1,0,1]=4 2597 B12R1.28 CNCC#Cc1cccc(c1)F 2230a_106832991635_100010402994 [1,1,0,0,0,0|1,0,1]=4 2598 B12R1.28 CNCC#Cc1cccc(c1)F 34a_100102657272_100010402994 [1,1,0,0,0,0|1,0,1]=4 2599 B12R1.28 CNCC#Cc1cccc(c1)F 7a_106832991635_100010402994 [1,1,0,0,0,0|1,0,1]=4 2600 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [1,1,0,0,0,0|1,0,1]=4 2601 B12R1.28 CNCC=Cc1cccc(c1)Cl 270004a_106832991635_100016268971 [1,1,0,0,0,0|1,0,1]=4 2602 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [1,1,0,0,0,0|1,0,0]=3 2603 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [1,1,0,0,0,0|1,0,0]=3 2604 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [1,1,0,0,0,0|1,0,0]=3 2605 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [1,1,0,0,0,0|1,0,0]=3 2606 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [1,1,0,0,0,0|1,0,0]=3 2607 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [1,1,0,0,0,0|1,0,0]=3 2608 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [1,1,0,0,0,0|1,0,0]=3 2609 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [1,1,0,0,0,0|1,0,0]=3 2610 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [1,1,0,0,0,0|1,0,0]=3 2611 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [1,1,0,0,0,0|1,0,0]=3 2612 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [1,1,0,0,0,0|1,0,0]=3 2613 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [1,1,0,0,0,0|1,0,0]=3 2614 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [1,1,0,0,0,0|1,0,0]=3 2615 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [1,1,0,0,0,0|1,0,0]=3 2616 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [1,1,0,0,0,0|1,0,0]=3 2617 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [1,1,0,0,0,0|1,0,0]=3 2618 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [1,1,0,0,0,0|1,0,0]=3 2619 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [1,1,0,0,0,0|1,0,0]=3 2620 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [1,1,0,0,0,0|1,0,0]=3 2621 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [1,1,0,0,0,0|1,0,0]=3 2622 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [1,1,0,0,0,0|1,0,0]=3 2623 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [1,1,0,0,0,0|1,0,0]=3 2624 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [1,1,0,0,0,0|1,0,0]=3 2625 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [1,1,0,0,0,0|1,0,0]=3 2626 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [1,1,0,0,0,0|1,0,0]=3 2627 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [1,1,0,0,0,0|1,0,0]=3 2628 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [1,1,0,0,0,0|1,0,0]=3 2629 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [1,1,0,0,0,0|1,0,0]=3 2630 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [1,1,0,0,0,0|1,0,0]=3 2631 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [1,1,0,0,0,0|1,0,0]=3 2632 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [1,1,0,0,0,0|1,0,0]=3 2633 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [1,1,0,0,0,0|0,0,0]=2 2634 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [1,1,0,0,0,0|1,0,1]=4 2635 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [1,1,0,0,0,0|2,0,0]=4 2636 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [1,1,0,0,0,0|2,0,0]=4 2637 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [1,1,0,0,0,0|2,0,0]=4 2638 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [1,1,0,0,0,0|2,0,0]=4 2639 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [1,1,0,0,0,0|2,0,0]=4 2640 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [1,1,0,0,0,0|2,0,0]=4 2641 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2642 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2643 B12R1.28 COCCNc1cccc(c1)Br 34a_100000210019_100011201679 [1,1,0,0,0,0|2,0,0]=4 2644 B12R1.28 COCCNc1cccc(c1)C 2230a_100000188690_100011201679 [1,1,0,0,0,0|2,0,0]=4 2645 B12R1.28 COCCNc1cccc(c1)C 34a_100000188690_100011201679 [1,1,0,0,0,0|2,0,0]=4 2646 B12R1.28 COCCNc1cccc(c1)Cl 34a_100000185859_100011201679 [1,1,0,0,0,0|2,0,0]=4 2647 B12R1.28 COCCNc1cccc(c1)F 34a_100000210047_100011201679 [1,1,0,0,0,0|2,0,0]=4 2648 B12R1.28 COCCNc1cccc(c1)I 34a_100000211102_100011201679 [1,1,0,0,0,0|2,0,0]=4 2649 B12R1.28 COCCNc1cccc(c1)O 34a_100000210217_100011201679 [1,1,0,0,0,0|1,0,0]=3 2650 B12R1.28 COCCOc1cc(ccn1)O 271570a_203496583355_200010734593 [1,1,0,0,0,0|2,0,0]=4 2651 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [1,1,0,0,0,0|2,0,0]=4 2652 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [1,1,0,0,0,0|2,0,0]=4 2653 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [1,1,0,0,0,0|2,0,0]=4 2654 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [1,1,0,0,0,0|2,0,0]=4 2655 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [1,1,0,0,0,0|2,0,0]=4 2656 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [1,1,0,0,0,0|2,0,0]=4 2657 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [1,1,0,0,0,0|2,0,0]=4 2658 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [1,1,0,0,0,0|2,0,0]=4 2659 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [1,1,0,0,0,0|2,0,0]=4 2660 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [1,1,0,0,0,0|2,0,0]=4 2661 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [1,1,0,0,0,0|2,0,0]=4 2662 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [1,1,0,0,0,0|2,0,0]=4 2663 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [1,1,0,0,0,0|2,0,0]=4 2664 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [1,1,0,0,0,0|2,0,0]=4 2665 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [1,1,0,0,0,0|2,0,0]=4 2666 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [1,1,0,0,0,0|2,0,0]=4 2667 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [1,1,0,0,0,0|2,0,0]=4 2668 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [1,1,0,0,0,0|2,0,0]=4 2669 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [1,1,0,0,0,0|2,0,0]=4 2670 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [1,1,0,0,0,0|2,0,0]=4 2671 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [1,1,0,0,0,0|2,0,0]=4 2672 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [1,1,0,0,0,0|1,0,0]=3 2673 B12R1.28 COCCSc1cc(ccn1)O 62a_100000233755_100000762945 [1,1,0,0,0,0|2,0,0]=4 2674 B12R1.28 COCCSc1cccc(c1)Br 62a_100000233755_100000691529 [1,1,0,0,0,0|2,0,0]=4 2675 B12R1.28 COCCSc1cccc(c1)Br 62a_100000691529_100000233755 [1,1,0,0,0,0|2,0,0]=4 2676 B12R1.28 COCCSc1cccc(c1)Br 7a_200011756134_200000210301 [1,1,0,0,0,0|2,0,0]=4 2677 B12R1.28 COCCSc1cccc(c1)C 34a_200011432187_200000210301 [1,1,0,0,0,0|2,0,0]=4 2678 B12R1.28 COCCSc1cccc(c1)C 62a_100000233755_100011215228 [1,1,0,0,0,0|2,0,0]=4 2679 B12R1.28 COCCSc1cccc(c1)C 62a_100011215228_100000233755 [1,1,0,0,0,0|2,0,0]=4 2680 B12R1.28 COCCSc1cccc(c1)C 7a_200011432187_200000210301 [1,1,0,0,0,0|2,0,0]=4 2681 B12R1.28 COCCSc1cccc(c1)Cl 34a_200011721761_200000210301 [1,1,0,0,0,0|2,0,0]=4 2682 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000233755_100000699651 [1,1,0,0,0,0|2,0,0]=4 2683 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000699651_100000233755 [1,1,0,0,0,0|2,0,0]=4 2684 B12R1.28 COCCSc1cccc(c1)Cl 7a_200011721761_200000210301 [1,1,0,0,0,0|2,0,0]=4 2685 B12R1.28 COCCSc1cccc(c1)F 34a_200011996949_200000210301 [1,1,0,0,0,0|2,0,0]=4 2686 B12R1.28 COCCSc1cccc(c1)F 62a_100000233755_100000685547 [1,1,0,0,0,0|2,0,0]=4 2687 B12R1.28 COCCSc1cccc(c1)F 62a_100000685547_100000233755 [1,1,0,0,0,0|2,0,0]=4 2688 B12R1.28 COCCSc1cccc(c1)F 7a_200011996949_200000210301 [1,1,0,0,0,0|2,0,0]=4 2689 B12R1.28 COCCSc1cccc(c1)N 62a_100000210019_100000233755 [1,1,0,0,0,0|2,0,0]=4 2690 B12R1.28 COCCSc1cccc(c1)N 62a_100000233755_100000210019 [1,1,0,0,0,0|2,0,0]=4 2691 B12R1.28 COCCSc1cccc(c1)O 271570a_203496583355_200009815756 [1,1,0,0,0,0|1,0,0]=3 2692 B12R1.28 COCCSc1cccc(c1)O 62a_100000233755_100000211634 [1,1,0,0,0,0|1,0,0]=3 2693 B12R1.28 COCCSc1cccc(c1)[S] 62a_100000233755_114929384022 [1,1,0,0,0,0|1,1,0]=4 2694 B12R1.28 COCCSc1cccc(c1)[S] 62a_114929384022_100000233755 [1,1,0,0,0,0|1,1,0]=4 2695 B12R1.28 COCCSc1cncc(c1)O 62a_100000233755_100000754920 [1,1,0,0,0,0|2,0,0]=4 2696 B12R1.28 COCCSc1cncc(c1)O 62a_100000754920_100000233755 [1,1,0,0,0,0|2,0,0]=4 2697 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [1,1,0,0,0,0|2,0,0]=4 2698 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [1,1,0,0,0,0|2,0,0]=4 2699 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [1,1,0,0,0,0|2,0,0]=4 2700 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [1,1,0,0,0,0|2,0,0]=4 2701 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [1,1,0,0,0,0|2,0,0]=4 2702 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [1,1,0,0,0,0|1,0,0]=3 2703 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [1,1,0,0,0,0|2,0,0]=4 2704 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [1,1,0,0,0,0|2,0,0]=4 2705 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [1,1,0,0,0,0|2,0,0]=4 2706 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [1,1,0,0,0,0|2,0,0]=4 2707 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [1,1,0,0,0,0|2,0,0]=4 2708 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [1,1,0,0,0,0|2,0,0]=4 2709 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [1,1,0,0,0,0|2,0,0]=4 2710 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [1,1,0,0,0,0|2,0,0]=4 2711 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [1,1,0,0,0,0|2,0,0]=4 2712 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [1,1,0,0,0,0|2,0,0]=4 2713 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [1,1,0,0,0,0|1,0,0]=3 2714 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [1,1,0,0,0,0|1,0,0]=3 2715 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [1,1,0,0,0,0|2,0,0]=4 2716 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [1,1,0,0,0,0|2,0,0]=4 2717 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [1,1,0,0,0,0|2,0,0]=4 2718 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [1,1,0,0,0,0|2,0,0]=4 2719 B12R1.28 CSCCNc1cccc(c1)Br 34a_100000210019_100000212216 [1,1,0,0,0,0|2,0,0]=4 2720 B12R1.28 CSCCNc1cccc(c1)C 2230a_100000188690_100000751147 [1,1,0,0,0,0|2,0,0]=4 2721 B12R1.28 CSCCNc1cccc(c1)C 34a_100000188690_100000212216 [1,1,0,0,0,0|2,0,0]=4 2722 B12R1.28 CSCCNc1cccc(c1)Cl 34a_100000185859_100000212216 [1,1,0,0,0,0|2,0,0]=4 2723 B12R1.28 CSCCNc1cccc(c1)F 34a_100000210047_100000212216 [1,1,0,0,0,0|2,0,0]=4 2724 B12R1.28 CSCCNc1cccc(c1)I 34a_100000211102_100000212216 [1,1,0,0,0,0|2,0,0]=4 2725 B12R1.28 CSCCNc1cccc(c1)O 34a_100000210217_100000212216 [1,1,0,0,0,0|1,0,0]=3 2726 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [1,1,0,0,0,0|2,0,0]=4 2727 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [1,1,0,0,0,0|2,0,0]=4 2728 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [1,1,0,0,0,0|2,0,0]=4 2729 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [1,1,0,0,0,0|2,0,0]=4 2730 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [1,1,0,0,0,0|2,0,0]=4 2731 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [1,1,0,0,0,0|2,0,0]=4 2732 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [1,1,0,0,0,0|2,0,0]=4 2733 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [1,1,0,0,0,0|2,0,0]=4 2734 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [1,1,0,0,0,0|2,0,0]=4 2735 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [1,1,0,0,0,0|2,0,0]=4 2736 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [1,1,0,0,0,0|2,0,0]=4 2737 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [1,1,0,0,0,0|2,0,0]=4 2738 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [1,1,0,0,0,0|2,0,0]=4 2739 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [1,1,0,0,0,0|2,0,0]=4 2740 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [1,1,0,0,0,0|2,0,0]=4 2741 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [1,1,0,0,0,0|2,0,0]=4 2742 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [1,1,0,0,0,0|2,0,0]=4 2743 B12R1.28 CSCCSc1cc(ccn1)O 62a_100000212216_100000762945 [1,1,0,0,0,0|2,0,0]=4 2744 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000212216_100000691529 [1,1,0,0,0,0|2,0,0]=4 2745 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000691529_100000751147 [1,1,0,0,0,0|2,0,0]=4 2746 B12R1.28 CSCCSc1cccc(c1)C 62a_100000212216_100011215228 [1,1,0,0,0,0|2,0,0]=4 2747 B12R1.28 CSCCSc1cccc(c1)C 62a_100011215228_100000751147 [1,1,0,0,0,0|2,0,0]=4 2748 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000212216_100000699651 [1,1,0,0,0,0|2,0,0]=4 2749 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000699651_100000751147 [1,1,0,0,0,0|2,0,0]=4 2750 B12R1.28 CSCCSc1cccc(c1)F 62a_100000212216_100000685547 [1,1,0,0,0,0|2,0,0]=4 2751 B12R1.28 CSCCSc1cccc(c1)F 62a_100000685547_100000751147 [1,1,0,0,0,0|2,0,0]=4 2752 B12R1.28 CSCCSc1cccc(c1)N 62a_100000210019_100000751147 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.28 CSCCSc1cccc(c1)N 62a_100000212216_100000210019 [1,1,0,0,0,0|2,0,0]=4 2754 B12R1.28 CSCCSc1cccc(c1)O 62a_100000212216_100000211634 [1,1,0,0,0,0|1,0,0]=3 2755 B12R1.28 CSCCSc1cccc(c1)[S] 62a_100000212216_114929384022 [1,1,0,0,0,0|1,1,0]=4 2756 B12R1.28 CSCCSc1cccc(c1)[S] 62a_114929384022_100000751147 [1,1,0,0,0,0|1,1,0]=4 2757 B12R1.28 CSCCSc1cncc(c1)O 62a_100000212216_100000754920 [1,1,0,0,0,0|2,0,0]=4 2758 B12R1.28 CSCCSc1cncc(c1)O 62a_100000754920_100000751147 [1,1,0,0,0,0|2,0,0]=4 2759 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [1,1,0,0,0,0|2,0,0]=4 2760 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [1,1,0,0,0,0|2,0,0]=4 2761 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [1,1,0,0,0,0|2,0,0]=4 2762 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [1,1,0,0,0,0|2,0,0]=4 2763 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [1,1,0,0,0,0|2,0,0]=4 2764 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [1,1,0,0,0,0|2,0,0]=4 2765 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [1,1,0,0,0,0|2,0,0]=4 2766 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [1,1,0,0,0,0|2,0,0]=4 2767 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [1,1,0,0,0,0|2,0,0]=4 2768 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [1,1,0,0,0,0|2,0,0]=4 2769 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [1,1,0,0,0,0|1,0,0]=3 2770 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [1,1,0,0,0,0|1,0,0]=3 2771 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [1,1,0,0,0,0|2,0,0]=4 2772 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [1,1,0,0,0,0|2,0,0]=4 2773 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [1,1,0,0,0,0|2,0,0]=4 2774 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [1,1,0,0,0,0|2,0,0]=4 2775 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [1,1,0,0,0,0|2,0,0]=4 2776 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [1,1,0,0,0,0|2,0,0]=4 2777 B12R1.28 CSCSCc1cccc(c1)Br 62a_100000211773_100011218213 [1,1,0,0,0,0|2,0,0]=4 2778 B12R1.28 CSCSCc1cccc(c1)Br 62a_100011218213_100000211773 [1,1,0,0,0,0|2,0,0]=4 2779 B12R1.28 CSCSCc1cccc(c1)C 62a_100000211840_100011218213 [1,1,0,0,0,0|2,0,0]=4 2780 B12R1.28 CSCSCc1cccc(c1)C 62a_100011218213_100000211840 [1,1,0,0,0,0|2,0,0]=4 2781 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100000187163_100011218213 [1,1,0,0,0,0|2,0,0]=4 2782 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100011218213_100000187163 [1,1,0,0,0,0|2,0,0]=4 2783 B12R1.28 CSCSCc1cccc(c1)F 62a_100000230114_100011218213 [1,1,0,0,0,0|2,0,0]=4 2784 B12R1.28 CSCSCc1cccc(c1)F 62a_100011218213_100000230114 [1,1,0,0,0,0|2,0,0]=4 2785 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218213_100011218688 [1,1,0,0,0,0|2,0,0]=4 2786 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218688_100011218213 [1,1,0,0,0,0|2,0,0]=4 2787 B12R1.28 CSCSCc1cccc(c1)O 62a_100011218213_100011660834 [1,1,0,0,0,0|1,0,0]=3 2788 B12R1.28 CSCSCc1cccc(c1)O 62a_100011660834_100011218213 [1,1,0,0,0,0|1,0,0]=3 2789 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [1,1,0,0,0,0|1,0,0]=3 2790 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [1,1,0,0,0,0|1,0,0]=3 2791 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [1,1,0,0,0,0|1,0,0]=3 2792 B12R1.28 Cc1cccc(c1)CCOCF 34a_100011217157_100015361967 [1,1,0,0,0,0|2,0,0]=4 2793 B12R1.28 Cc1cccc(c1)CCOCF 7a_100011217157_100015361967 [1,1,0,0,0,0|2,0,0]=4 2794 B12R1.28 Cc1cccc(c1)CCSCF 62a_100011713685_100015361967 [1,1,0,0,0,0|2,0,0]=4 2795 B12R1.28 Cc1cccc(c1)CCSCF 62a_100015361967_100011713685 [1,1,0,0,0,0|2,0,0]=4 2796 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [1,1,0,0,0,0|1,0,0]=3 2797 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [1,1,0,0,0,0|1,0,0]=3 2798 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [1,1,0,0,0,0|2,0,0]=4 2799 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [1,1,0,0,0,0|2,0,0]=4 2800 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 34a_200011432187_200025704644 [1,1,0,0,0,0|2,0,0]=4 2801 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 7a_200011432187_200025704644 [1,1,0,0,0,0|2,0,0]=4 2802 B12R1.28 Cc1cccc(n1)CCNCF 34a_100011824523_100015361967 [1,1,0,0,0,0|2,0,0]=4 2803 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [1,1,0,0,0,0|1,0,0]=3 2804 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [1,1,0,0,0,0|1,0,0]=3 2805 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [1,1,0,0,0,0|1,0,0]=3 2806 B12R1.28 FCOCCc1cccc(c1)Br 34a_100011217444_100015361967 [1,1,0,0,0,0|2,0,0]=4 2807 B12R1.28 FCOCCc1cccc(c1)Br 7a_100011217444_100015361967 [1,1,0,0,0,0|2,0,0]=4 2808 B12R1.28 FCOCCc1cccc(c1)Cl 34a_100000754733_100015361967 [1,1,0,0,0,0|2,0,0]=4 2809 B12R1.28 FCOCCc1cccc(c1)Cl 7a_100000754733_100015361967 [1,1,0,0,0,0|2,0,0]=4 2810 B12R1.28 FCOCCc1cccc(c1)F 34a_100000763591_100015361967 [1,1,0,0,0,0|2,0,0]=4 2811 B12R1.28 FCOCCc1cccc(c1)F 7a_100000763591_100015361967 [1,1,0,0,0,0|2,0,0]=4 2812 B12R1.28 FCSCCc1cccc(c1)Br 62a_100011740638_100015361967 [1,1,0,0,0,0|2,0,0]=4 2813 B12R1.28 FCSCCc1cccc(c1)Br 62a_100015361967_100011740638 [1,1,0,0,0,0|2,0,0]=4 2814 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100011713710_100015361967 [1,1,0,0,0,0|2,0,0]=4 2815 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100015361967_100011713710 [1,1,0,0,0,0|2,0,0]=4 2816 B12R1.28 FCSCCc1cccc(c1)F 62a_100011217235_100015361967 [1,1,0,0,0,0|2,0,0]=4 2817 B12R1.28 FCSCCc1cccc(c1)F 62a_100015361967_100011217235 [1,1,0,0,0,0|2,0,0]=4 2818 B12R1.28 N#CCCSc1cccc(c1)O 62a_100011215226_100000211634 [1,1,0,0,0,0|2,0,0]=4 2819 B12R1.28 N#CCNCc1cccc(c1)O 2230a_100000743036_100011215382 [1,1,0,0,0,0|2,0,0]=4 2820 B12R1.28 N#CCSCc1cccc(c1)O 62a_100011215382_100011660834 [1,1,0,0,0,0|2,0,0]=4 2821 B12R1.28 N#CCSCc1cccc(c1)O 62a_100011660834_100011215382 [1,1,0,0,0,0|2,0,0]=4 2822 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [1,1,0,0,0,0|2,0,0]=4 2823 B12R1.28 Nc1cccc(c1)CCOCF 34a_100011996697_100015361967 [1,1,0,0,0,0|2,0,0]=4 2824 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [1,1,0,0,0,0|2,0,0]=4 2825 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [1,1,0,0,0,0|2,0,0]=4 2826 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [1,1,0,0,0,0|2,0,0]=4 2827 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [1,1,0,0,0,0|2,0,0]=4 2828 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [1,1,0,0,0,0|2,0,0]=4 2829 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [1,1,0,0,0,0|2,0,0]=4 2830 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [1,1,0,0,0,0|2,0,0]=4 2831 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [1,1,0,0,0,0|2,0,0]=4 2832 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [1,1,0,0,0,0|2,0,0]=4 2833 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [1,1,0,0,0,0|2,0,0]=4 2834 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [1,1,0,0,0,0|2,0,0]=4 2835 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [1,1,0,0,0,0|2,0,0]=4 2836 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [1,1,0,0,0,0|2,0,0]=4 2837 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [1,1,0,0,0,0|2,0,0]=4 2838 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [1,1,0,0,0,0|0,0,0]=2 2839 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [1,1,0,0,0,0|2,0,0]=4 2840 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [1,1,0,0,0,0|2,0,0]=4 2841 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [1,1,0,0,0,0|2,0,0]=4 2842 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [1,1,0,0,0,0|2,0,0]=4 2843 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011217306_100011660834 [1,1,0,0,0,0|2,0,0]=4 2844 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011660834_100011217306 [1,1,0,0,0,0|2,0,0]=4 2845 B12R1.28 Oc1cccc(c1)NCCCF 34a_100000210217_100011934791 [1,1,0,0,0,0|2,0,0]=4 2846 B12R1.28 Oc1cccc(c1)SCCCF 62a_100011934791_100000211634 [1,1,0,0,0,0|2,0,0]=4 2847 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [1,1,0,0,0,0|1,0,0]=3 2848 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [1,1,0,0,0,0|1,0,0]=3 2849 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [1,1,0,0,0,0|1,0,0]=3 2850 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [1,1,0,0,0,0|1,0,0]=3 2851 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [1,1,0,0,0,0|1,0,0]=3 2852 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [1,1,0,0,0,0|1,0,0]=3 2853 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [1,1,0,0,0,0|1,0,0]=3 2854 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [1,1,0,0,0,0|1,0,0]=3 2855 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [1,1,0,0,0,0|1,0,0]=3 2856 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [1,1,0,0,0,0|1,0,0]=3 2857 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [1,1,0,0,0,0|1,0,0]=3 2858 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [1,1,0,0,0,0|1,0,0]=3 2859 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [1,1,0,0,0,0|2,0,0]=4 2861 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [1,1,0,0,0,0|2,0,0]=4 2862 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [1,1,0,0,0,0|2,0,0]=4 2863 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2864 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2865 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [1,1,0,0,0,0|2,0,0]=4 2866 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [1,1,0,0,0,0|2,0,0]=4 2867 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [1,1,0,0,0,0|2,0,0]=4 2868 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [1,1,0,0,0,0|2,0,0]=4 2869 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B12R1.28 [13CH3]OCCSc1cccc(c1)Br 7a_200011756134_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 34a_200011721761_200025704644 [1,1,0,0,0,0|2,0,0]=4 2872 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 7a_200011721761_200025704644 [1,1,0,0,0,0|2,0,0]=4 2873 B12R1.28 [13CH3]OCCSc1cccc(c1)F 34a_200011996949_200025704644 [1,1,0,0,0,0|2,0,0]=4 2874 B12R1.28 [13CH3]OCCSc1cccc(c1)F 7a_200011996949_200025704644 [1,1,0,0,0,0|2,0,0]=4 2875 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [1,1,0,0,0,0|2,0,0]=4 2876 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [1,1,0,0,0,0|2,0,0]=4 2877 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [1,1,0,0,0,0|2,0,0]=4 2878 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [1,1,0,0,0,0|2,0,0]=4 2879 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [1,1,0,0,0,0|2,0,0]=4 2880 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [1,1,0,0,0,0|2,0,0]=4 2881 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [1,1,0,0,0,0|2,0,0]=4 2882 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [1,1,0,0,0,0|2,0,0]=4 2883 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [1,1,0,0,0,0|2,0,0]=4 2884 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [1,1,0,0,0,0|2,0,0]=4 2885 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [1,1,0,0,0,0|1,0,1]=4 2886 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [1,1,0,0,0,0|1,0,1]=4 2887 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [1,1,0,0,0,0|2,0,0]=4 2888 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [1,1,0,0,0,0|2,0,0]=4 2889 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [1,1,0,0,0,0|2,0,0]=4 2890 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [1,1,0,0,0,0|2,0,0]=4 2891 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [1,1,0,0,0,0|2,0,0]=4 2892 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [1,1,0,0,0,0|2,0,0]=4 2893 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [1,1,0,0,0,0|2,0,0]=4 2894 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [1,1,0,0,0,0|2,0,0]=4 2895 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [1,1,0,0,0,0|2,0,0]=4 2896 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [1,1,0,0,0,0|2,0,0]=4 2897 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [1,1,0,0,0,0|2,0,0]=4 2898 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [1,1,0,0,0,0|1,0,1]=4 2899 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [1,1,0,0,0,0|1,0,1]=4 2900 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [1,1,0,0,0,0|1,0,1]=4 2901 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [1,1,0,0,0,0|1,0,1]=4 2902 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [1,1,0,0,0,0|1,0,1]=4 2903 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [1,1,0,0,0,0|1,0,1]=4 2904 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [1,1,0,0,0,0|1,0,1]=4 2905 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [1,1,0,0,0,0|1,0,1]=4 2906 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [1,1,0,0,0,0|1,0,1]=4 2907 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [1,1,0,0,0,0|1,0,1]=4 2908 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [1,1,0,0,0,0|1,0,1]=4 2909 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [1,1,0,0,0,0|1,0,1]=4 2910 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [1,1,0,0,0,0|1,0,1]=4 2911 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [1,1,0,0,0,0|1,0,1]=4 2912 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [1,1,0,0,0,0|1,0,1]=4 2913 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [1,1,0,0,0,0|1,0,1]=4 2914 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [1,1,0,0,0,0|1,0,1]=4 2915 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [1,1,0,0,0,0|1,0,1]=4 2916 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [1,1,0,0,0,0|1,0,1]=4 2917 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [1,1,0,0,0,0|0,0,1]=3 2918 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [1,1,0,0,0,0|0,0,1]=3 2919 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [1,1,0,0,0,0|1,0,1]=4 2920 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [1,1,0,0,0,0|1,0,1]=4 2921 B12R1.50 CNC(C)Cc1cc(ccn1)C 270004a_106832991635_200015184229 [1,1,0,0,0,0|2,0,0]=4 2922 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [1,1,0,0,0,0|1,0,0]=3 2923 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [1,1,0,0,0,0|1,0,0]=3 2924 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [1,1,0,0,0,0|1,0,0]=3 2925 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [1,1,0,0,0,0|1,0,1]=4 2926 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [1,1,0,0,0,0|2,0,0]=4 2927 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [1,1,0,0,0,0|2,0,0]=4 2928 B12R1.100 CCCCc1cc(cc(c1)Br)Br 271570a_100020621405_100009814770 [1,1,0,0,0,0|2,0,0]=4 2929 B12R1.100 CCCCc1cc(cc(c1)Br)Cl 271570a_100020621405_100009814755 [1,1,0,0,0,0|2,0,0]=4 2930 B12R1.100 CCCCc1cc(cc(c1)Br)F 271570a_100020621405_100009814764 [1,1,0,0,0,0|2,0,0]=4 2931 B12R1.100 CCCCc1cc(cc(c1)Br)N 271570a_100020621405_100009814763 [1,1,0,0,0,0|2,0,0]=4 2932 B12R1.100 CCCCc1cc(cc(c1)Br)O 271570a_100020621405_100010068917 [1,1,0,0,0,0|1,0,0]=3 2933 B12R1.100 CCCCc1cc(cc(c1)C)C 271570a_100020621405_100011215608 [1,1,0,0,0,0|2,0,0]=4 2934 B12R1.100 CCCCc1cc(cc(c1)Cl)C 271570a_100020621405_100010172791 [1,1,0,0,0,0|2,0,0]=4 2935 B12R1.100 CCCCc1cc(cc(c1)Cl)Cl 271570a_100020621405_100000747138 [1,1,0,0,0,0|2,0,0]=4 2936 B12R1.100 CCCCc1cc(cc(c1)Cl)F 271570a_100020621405_100013859453 [1,1,0,0,0,0|2,0,0]=4 2937 B12R1.100 CCCCc1cc(cc(c1)Cl)N 271570a_100020621405_100010147676 [1,1,0,0,0,0|2,0,0]=4 2938 B12R1.100 CCCCc1cc(cc(c1)Cl)O 271570a_100020621405_100010068924 [1,1,0,0,0,0|1,0,0]=3 2939 B12R1.100 CCCCc1cc(cc(c1)F)C 271570a_100020621405_100011356977 [1,1,0,0,0,0|2,0,0]=4 2940 B12R1.100 CCCCc1cc(cc(c1)F)F 271570a_100020621405_100011218498 [1,1,0,0,0,0|2,0,0]=4 2941 B12R1.100 CCCCc1cc(cc(c1)F)N 271570a_100020621405_100011356972 [1,1,0,0,0,0|2,0,0]=4 2942 B12R1.100 CCCCc1cc(cc(c1)F)O 271570a_100020621405_100000717995 [1,1,0,0,0,0|1,0,0]=3 2943 B12R1.100 CCCCc1cc(cc(c1)N)C 271570a_100020621405_100000695972 [1,1,0,0,0,0|2,0,0]=4 2944 B12R1.100 CCCCc1cc(cc(c1)N)N 271570a_100020621405_100011999608 [1,1,0,0,0,0|2,0,0]=4 2945 B12R1.100 CCCCc1cc(cc(c1)O)C 271570a_100020621405_100011999630 [1,1,0,0,0,0|1,0,0]=3 2946 B12R1.100 CCCCc1cc(cc(c1)O)O 271570a_100020621405_100009868816 [1,1,0,0,0,0|1,0,0]=3 2947 B12R1.100 CCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000210303 [1,1,0,0,0,0|2,0,0]=4 2948 B12R1.100 CCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000210303 [1,1,0,0,0,0|2,0,0]=4 2949 B12R1.100 CCCNc1cc(cc(c1)O)C 34a_100011995906_100000210303 [1,1,0,0,0,0|2,0,0]=4 2950 B12R1.100 CCCNc1cc(cc(c1)O)C 7a_100011995906_100000210303 [1,1,0,0,0,0|2,0,0]=4 2951 B12R1.100 CCCNc1cc(cc(c1)O)O 34a_100000043371_100000210303 [1,1,0,0,0,0|2,0,0]=4 2952 B12R1.100 CCCSc1cc(cc(c1)Br)O 62a_100000210303_100010068917 [1,1,0,0,0,0|2,0,0]=4 2953 B12R1.100 CCCSc1cc(cc(c1)Br)O 62a_100010068917_100000210303 [1,1,0,0,0,0|2,0,0]=4 2954 B12R1.100 CCCSc1cc(cc(c1)Cl)O 62a_100000210303_100010068924 [1,1,0,0,0,0|2,0,0]=4 2955 B12R1.100 CCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210303 [1,1,0,0,0,0|2,0,0]=4 2956 B12R1.100 CCCSc1cc(cc(c1)F)O 62a_100000210303_100000688818 [1,1,0,0,0,0|2,0,0]=4 2957 B12R1.100 CCCSc1cc(cc(c1)F)O 62a_100000688818_100000210303 [1,1,0,0,0,0|2,0,0]=4 2958 B12R1.100 CCCSc1cc(cc(c1)O)C 62a_100000210303_100011999630 [1,1,0,0,0,0|2,0,0]=4 2959 B12R1.100 CCCSc1cc(cc(c1)O)O 62a_100000210303_100009868816 [1,1,0,0,0,0|2,0,0]=4 2960 B12R1.100 CCNCc1cc(cc(c1)Br)O 207a_100015525214_100010176088 [1,1,0,0,0,0|2,0,0]=4 2961 B12R1.100 CCNCc1cc(cc(c1)Br)O 270004a_100015525214_100010176088 [1,1,0,0,0,0|2,0,0]=4 2962 B12R1.100 CCNCc1cc(cc(c1)Cl)O 207a_100015525214_100000050827 [1,1,0,0,0,0|2,0,0]=4 2963 B12R1.100 CCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210202 [1,1,0,0,0,0|2,0,0]=4 2964 B12R1.100 CCNCc1cc(cc(c1)Cl)O 270004a_100015525214_100000050827 [1,1,0,0,0,0|2,0,0]=4 2965 B12R1.100 CCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000210202 [1,1,0,0,0,0|2,0,0]=4 2966 B12R1.100 CCNCc1cc(cc(c1)F)O 207a_100015525214_100000703664 [1,1,0,0,0,0|2,0,0]=4 2967 B12R1.100 CCNCc1cc(cc(c1)F)O 2230a_100160469513_100000210202 [1,1,0,0,0,0|2,0,0]=4 2968 B12R1.100 CCNCc1cc(cc(c1)F)O 270004a_100015525214_100000703664 [1,1,0,0,0,0|2,0,0]=4 2969 B12R1.100 CCNCc1cc(cc(c1)F)O 34a_100160469513_100000210202 [1,1,0,0,0,0|2,0,0]=4 2970 B12R1.100 CCNCc1cc(cc(c1)O)C 207a_100015525214_100009853434 [1,1,0,0,0,0|2,0,0]=4 2971 B12R1.100 CCNCc1cc(cc(c1)O)C 270004a_100015525214_100009853434 [1,1,0,0,0,0|2,0,0]=4 2972 B12R1.100 CCNCc1cc(cc(c1)O)O 207a_100015525214_100000043415 [1,1,0,0,0,0|2,0,0]=4 2973 B12R1.100 CCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210202 [1,1,0,0,0,0|2,0,0]=4 2974 B12R1.100 CCNCc1cc(cc(c1)O)O 34a_100159270720_100000210202 [1,1,0,0,0,0|2,0,0]=4 2975 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200000210301 [1,1,0,0,0,0|1,0,0]=3 2976 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 2230a_106832991635_100000691793 [1,1,0,0,0,0|1,0,0]=3 2977 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200000210301 [1,1,0,0,0,0|1,0,0]=3 2978 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 34a_100102657272_100000691793 [1,1,0,0,0,0|1,0,0]=3 2979 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 7a_106832991635_100000691793 [1,1,0,0,0,0|1,0,0]=3 2980 B12R1.100 CNCCc1cc(cc(c1)F)F 2230a_100000748410_200000210301 [1,1,0,0,0,0|1,0,0]=3 2981 B12R1.100 CNCCc1cc(cc(c1)F)F 2230a_106832991635_100011754442 [1,1,0,0,0,0|1,0,0]=3 2982 B12R1.100 CNCCc1cc(cc(c1)F)F 34a_100000748410_200000210301 [1,1,0,0,0,0|1,0,0]=3 2983 B12R1.100 CNCCc1cc(cc(c1)F)F 34a_100102657272_100011754442 [1,1,0,0,0,0|1,0,0]=3 2984 B12R1.100 CNCCc1cc(cc(c1)F)F 7a_106832991635_100011754442 [1,1,0,0,0,0|1,0,0]=3 2985 B12R1.100 COCCc1cc(cc(c1)Br)Br 34a_100010243668_200000210301 [1,1,0,0,0,0|2,0,0]=4 2986 B12R1.100 COCCc1cc(cc(c1)Br)Br 7a_100010243668_200000210301 [1,1,0,0,0,0|2,0,0]=4 2987 B12R1.100 COCCc1cc(cc(c1)Br)F 34a_100012630564_200000210301 [1,1,0,0,0,0|2,0,0]=4 2988 B12R1.100 COCCc1cc(cc(c1)Br)F 7a_100012630564_200000210301 [1,1,0,0,0,0|2,0,0]=4 2989 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 34a_100000720051_200000210301 [1,1,0,0,0,0|2,0,0]=4 2990 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 34a_100138415774_100000691793 [1,1,0,0,0,0|2,0,0]=4 2991 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 7a_100000720051_200000210301 [1,1,0,0,0,0|2,0,0]=4 2992 B12R1.100 COCCc1cc(cc(c1)F)F 34a_100011754358_200000210301 [1,1,0,0,0,0|2,0,0]=4 2993 B12R1.100 COCCc1cc(cc(c1)F)F 34a_100138415774_100011754442 [1,1,0,0,0,0|2,0,0]=4 2994 B12R1.100 COCCc1cc(cc(c1)F)F 7a_100011754358_200000210301 [1,1,0,0,0,0|2,0,0]=4 2995 B12R1.100 COCSc1cc(cc(c1)Br)O 62a_100000766300_100010068917 [1,1,0,0,0,0|2,0,0]=4 2996 B12R1.100 COCSc1cc(cc(c1)Br)O 62a_100010068917_100000766300 [1,1,0,0,0,0|2,0,0]=4 2997 B12R1.100 COCSc1cc(cc(c1)Cl)O 62a_100000766300_100010068924 [1,1,0,0,0,0|2,0,0]=4 2998 B12R1.100 COCSc1cc(cc(c1)Cl)O 62a_100010068924_100000766300 [1,1,0,0,0,0|2,0,0]=4 2999 B12R1.100 COCSc1cc(cc(c1)F)O 62a_100000688818_100000766300 [1,1,0,0,0,0|2,0,0]=4 3000 B12R1.100 COCSc1cc(cc(c1)F)O 62a_100000766300_100000688818 [1,1,0,0,0,0|2,0,0]=4 3001 B12R1.100 COCSc1cc(cc(c1)O)C 62a_100000766300_100011999630 [1,1,0,0,0,0|2,0,0]=4 3002 B12R1.100 COCSc1cc(cc(c1)O)O 62a_100000766300_100009868816 [1,1,0,0,0,0|2,0,0]=4 3003 B12R1.100 CSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_200000210301 [1,1,0,0,0,0|2,0,0]=4 3004 B12R1.100 CSCCc1cc(cc(c1)Cl)Cl 62a_200000210301_100000691793 [1,1,0,0,0,0|2,0,0]=4 3005 B12R1.100 CSCCc1cc(cc(c1)F)F 62a_100011754442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3006 B12R1.100 CSCCc1cc(cc(c1)F)F 62a_200000210301_100011754442 [1,1,0,0,0,0|2,0,0]=4 3007 B12R1.100 CSCNc1cc(cc(c1)Cl)O 34a_100000123917_100011218213 [1,1,0,0,0,0|2,0,0]=4 3008 B12R1.100 CSCNc1cc(cc(c1)O)C 34a_100011995906_100011218213 [1,1,0,0,0,0|2,0,0]=4 3009 B12R1.100 CSCNc1cc(cc(c1)O)O 34a_100000043371_100011218213 [1,1,0,0,0,0|2,0,0]=4 3010 B12R1.100 CSCSc1cc(cc(c1)Br)O 62a_100010068917_100011218213 [1,1,0,0,0,0|2,0,0]=4 3011 B12R1.100 CSCSc1cc(cc(c1)Br)O 62a_100011218213_100010068917 [1,1,0,0,0,0|2,0,0]=4 3012 B12R1.100 CSCSc1cc(cc(c1)Cl)O 62a_100010068924_100011218213 [1,1,0,0,0,0|2,0,0]=4 3013 B12R1.100 CSCSc1cc(cc(c1)Cl)O 62a_100011218213_100010068924 [1,1,0,0,0,0|2,0,0]=4 3014 B12R1.100 CSCSc1cc(cc(c1)F)O 62a_100000688818_100011218213 [1,1,0,0,0,0|2,0,0]=4 3015 B12R1.100 CSCSc1cc(cc(c1)F)O 62a_100011218213_100000688818 [1,1,0,0,0,0|2,0,0]=4 3016 B12R1.100 CSCSc1cc(cc(c1)O)C 62a_100011218213_100011999630 [1,1,0,0,0,0|2,0,0]=4 3017 B12R1.100 CSCSc1cc(cc(c1)O)O 62a_100011218213_100009868816 [1,1,0,0,0,0|2,0,0]=4 3018 B12R1.100 [13CH3]NCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200025704644 [1,1,0,0,0,0|1,0,0]=3 3019 B12R1.100 [13CH3]NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200025704644 [1,1,0,0,0,0|1,0,0]=3 3020 B12R1.100 [13CH3]NCCc1cc(cc(c1)F)F 2230a_100000748410_200025704644 [1,1,0,0,0,0|1,0,0]=3 3021 B12R1.100 [13CH3]NCCc1cc(cc(c1)F)F 34a_100000748410_200025704644 [1,1,0,0,0,0|1,0,0]=3 3022 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)Br 34a_100010243668_200025704644 [1,1,0,0,0,0|2,0,0]=4 3023 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)Br 7a_100010243668_200025704644 [1,1,0,0,0,0|2,0,0]=4 3024 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)F 34a_100012630564_200025704644 [1,1,0,0,0,0|2,0,0]=4 3025 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)F 7a_100012630564_200025704644 [1,1,0,0,0,0|2,0,0]=4 3026 B12R1.100 [13CH3]OCCc1cc(cc(c1)Cl)Cl 34a_100000720051_200025704644 [1,1,0,0,0,0|2,0,0]=4 3027 B12R1.100 [13CH3]OCCc1cc(cc(c1)Cl)Cl 7a_100000720051_200025704644 [1,1,0,0,0,0|2,0,0]=4 3028 B12R1.100 [13CH3]OCCc1cc(cc(c1)F)F 34a_100011754358_200025704644 [1,1,0,0,0,0|2,0,0]=4 3029 B12R1.100 [13CH3]OCCc1cc(cc(c1)F)F 7a_100011754358_200025704644 [1,1,0,0,0,0|2,0,0]=4 3030 B12R1.100 [13CH3]SCCc1cc(cc(c1)Cl)Cl 62a_100000691793_200025704644 [1,1,0,0,0,0|2,0,0]=4 3031 B12R1.100 [13CH3]SCCc1cc(cc(c1)Cl)Cl 62a_200025704644_100000691793 [1,1,0,0,0,0|2,0,0]=4 3032 B12R1.100 [13CH3]SCCc1cc(cc(c1)F)F 62a_100011754442_200025704644 [1,1,0,0,0,0|2,0,0]=4 3033 B12R1.100 [13CH3]SCCc1cc(cc(c1)F)F 62a_200025704644_100011754442 [1,1,0,0,0,0|2,0,0]=4 3034 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,1,0,0,0,0|2,0,0]=4 3037 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,1,0,0,0,0|2,0,0]=4 3042 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,1,0,0,0,0|2,0,0]=4 3044 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,1,0,0,0,0|2,0,0]=4 3045 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,1,0,0,0,0|1,0,0]=3 3046 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,1,0,0,0,0|1,0,0]=3 3047 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,1,0,0,0,0|2,0,0]=4 3048 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,1,0,0,0,0|2,0,0]=4 3049 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.226 CC(C)CNc1cccc(c1)O 34a_100000210217_100000210624 [1,1,0,0,0,0|2,0,0]=4 3051 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [1,1,0,0,0,0|2,0,0]=4 3052 B12R1.226 CC(C)CSc1cccc(c1)O 62a_100000210624_100000211634 [1,1,0,0,0,0|2,0,0]=4 3053 B12R1.226 CC(C)NCc1cccc(c1)O 207a_100138425928_100000188321 [1,1,0,0,0,0|2,0,0]=4 3054 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100000743036_100000210206 [1,1,0,0,0,0|2,0,0]=4 3055 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100138425928_100011660834 [1,1,0,0,0,0|2,0,0]=4 3056 B12R1.226 CC(C)NCc1cccc(c1)O 271570a_203496583355_100000195767 [1,1,0,0,0,0|2,0,0]=4 3057 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100000743036_100000210206 [1,1,0,0,0,0|2,0,0]=4 3058 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100138425928_100011660834 [1,1,0,0,0,0|2,0,0]=4 3059 B12R1.226 CC(C)OCc1cccc(c1)O 34a_100000212225_100011660834 [1,1,0,0,0,0|2,0,0]=4 3060 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100000210206_100011660834 [1,1,0,0,0,0|2,0,0]=4 3061 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100011660834_100000210206 [1,1,0,0,0,0|2,0,0]=4 3062 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [1,1,0,0,0,0|2,0,0]=4 3063 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [1,1,0,0,0,0|2,0,0]=4 3064 B12R1.226 CN(C)CCc1cccc(c1)Br 2230a_100102631434_100011740638 [1,1,0,0,0,0|1,0,0]=3 3065 B12R1.226 CN(C)CCc1cccc(c1)Br 269982a_100102631434_100011740638 [1,1,0,0,0,0|1,0,0]=3 3066 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_100102631434_100011713710 [1,1,0,0,0,0|1,0,0]=3 3067 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_106726388433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3068 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_100102631434_100011713710 [1,1,0,0,0,0|1,0,0]=3 3069 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_106726388433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3070 B12R1.226 CN(C)CCc1cccc(c1)Cl 34a_106726388433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3071 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_100102631434_100011217235 [1,1,0,0,0,0|1,0,0]=3 3072 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_106726388868_200000210301 [1,1,0,0,0,0|1,0,0]=3 3073 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_100102631434_100011217235 [1,1,0,0,0,0|1,0,0]=3 3074 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_106726388868_200000210301 [1,1,0,0,0,0|1,0,0]=3 3075 B12R1.226 CN(C)CCc1cccc(c1)F 34a_106726388868_200000210301 [1,1,0,0,0,0|1,0,0]=3 3076 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 2230a_106726388433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3077 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 269982a_106726388433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3078 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 34a_106726388433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3079 B12R1.226 CN([13CH3])CCc1cccc(c1)F 2230a_106726388868_200025704644 [1,1,0,0,0,0|1,0,0]=3 3080 B12R1.226 CN([13CH3])CCc1cccc(c1)F 269982a_106726388868_200025704644 [1,1,0,0,0,0|1,0,0]=3 3081 B12R1.226 CN([13CH3])CCc1cccc(c1)F 34a_106726388868_200025704644 [1,1,0,0,0,0|1,0,0]=3 3082 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [1,1,0,0,0,0|2,0,0]=4 3083 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [1,1,0,0,0,0|2,0,0]=4 3084 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,1,0,0,0,0|2,0,0]=4 3085 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [1,1,0,0,0,0|1,0,0]=3 3086 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [1,1,0,0,0,0|1,0,0]=3 3087 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [1,1,0,0,0,0|1,0,0]=3 3088 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [1,1,0,0,0,0|1,0,0]=3 3089 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [1,1,0,0,0,0|1,0,0]=3 3090 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [1,1,0,0,0,0|1,0,0]=3 3091 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [1,1,0,0,0,0|1,0,0]=3 3092 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [1,1,0,0,0,0|1,0,0]=3 3093 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,1,0,0,0,0|2,0,0]=4 3094 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,1,0,0,0,0|2,0,0]=4 3095 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,1,0,0,0,0|2,0,0]=4 3096 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,1,0,0,0,0|2,0,0]=4 3097 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,1,0,0,0,0|2,0,0]=4 3098 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,1,0,0,0,0|1,0,0]=3 3099 B12R1.374 CCCCc1cc(ccc1Br)Br 271570a_100020621405_100011483371 [1,1,0,0,0,0|2,0,0]=4 3100 B12R1.374 CCCCc1cc(ccc1Br)C 271570a_100020621405_100012353751 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.374 CCCCc1cc(ccc1Br)Cl 271570a_100020621405_100012339723 [1,1,0,0,0,0|2,0,0]=4 3102 B12R1.374 CCCCc1cc(ccc1Br)F 271570a_100020621405_100011217576 [1,1,0,0,0,0|2,0,0]=4 3103 B12R1.374 CCCCc1cc(ccc1Br)N 271570a_100020621405_100000750459 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.374 CCCCc1cc(ccc1Br)O 271570a_100020621405_100012339312 [1,1,0,0,0,0|1,0,0]=3 3105 B12R1.374 CCCCc1cc(ccc1C)Br 271570a_100020621405_100011344865 [1,1,0,0,0,0|2,0,0]=4 3106 B12R1.374 CCCCc1cc(ccc1C)C 271570a_100020621405_100000210833 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.374 CCCCc1cc(ccc1C)Cl 271570a_100020621405_100011263213 [1,1,0,0,0,0|2,0,0]=4 3108 B12R1.374 CCCCc1cc(ccc1C)F 271570a_100020621405_100011218078 [1,1,0,0,0,0|2,0,0]=4 3109 B12R1.374 CCCCc1cc(ccc1C)N 271570a_100020621405_100000736455 [1,1,0,0,0,0|2,0,0]=4 3110 B12R1.374 CCCCc1cc(ccc1C)O 271570a_100020621405_100011380479 [1,1,0,0,0,0|1,0,0]=3 3111 B12R1.374 CCCCc1cc(ccc1Cl)Br 271570a_100020621405_100011772130 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.374 CCCCc1cc(ccc1Cl)C 271570a_100020621405_100012356289 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.374 CCCCc1cc(ccc1Cl)Cl 271570a_100020621405_100000707729 [1,1,0,0,0,0|2,0,0]=4 3114 B12R1.374 CCCCc1cc(ccc1Cl)F 271570a_100020621405_100011217299 [1,1,0,0,0,0|2,0,0]=4 3115 B12R1.374 CCCCc1cc(ccc1Cl)N 271570a_100020621405_100012360549 [1,1,0,0,0,0|2,0,0]=4 3116 B12R1.374 CCCCc1cc(ccc1Cl)O 271570a_100020621405_100000049588 [1,1,0,0,0,0|1,0,0]=3 3117 B12R1.374 CCCCc1cc(ccc1F)Br 271570a_100020621405_100011217312 [1,1,0,0,0,0|2,0,0]=4 3118 B12R1.374 CCCCc1cc(ccc1F)C 271570a_100020621405_100000736223 [1,1,0,0,0,0|2,0,0]=4 3119 B12R1.374 CCCCc1cc(ccc1F)Cl 271570a_100020621405_100011218116 [1,1,0,0,0,0|2,0,0]=4 3120 B12R1.374 CCCCc1cc(ccc1F)F 271570a_100020621405_100000750033 [1,1,0,0,0,0|2,0,0]=4 3121 B12R1.374 CCCCc1cc(ccc1F)N 271570a_100020621405_100000760356 [1,1,0,0,0,0|2,0,0]=4 3122 B12R1.374 CCCCc1cc(ccc1F)O 271570a_100020621405_100000693481 [1,1,0,0,0,0|1,0,0]=3 3123 B12R1.374 CCCCc1cc(ccc1N)Br 271570a_100020621405_100000187925 [1,1,0,0,0,0|2,0,0]=4 3124 B12R1.374 CCCCc1cc(ccc1N)C 271570a_100020621405_100000210942 [1,1,0,0,0,0|2,0,0]=4 3125 B12R1.374 CCCCc1cc(ccc1N)Cl 271570a_100020621405_100000761889 [1,1,0,0,0,0|2,0,0]=4 3126 B12R1.374 CCCCc1cc(ccc1N)F 271570a_100020621405_100000760547 [1,1,0,0,0,0|2,0,0]=4 3127 B12R1.374 CCCCc1cc(ccc1N)N 271570a_100020621405_100011534242 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.374 CCCCc1cc(ccc1N)O 271570a_100020621405_100012001276 [1,1,0,0,0,0|1,0,0]=3 3129 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [1,1,0,0,0,0|2,0,0]=4 3132 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [1,1,0,0,0,0|2,0,0]=4 3133 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [1,1,0,0,0,0|1,0,0]=3 3135 B12R1.374 CCCCc1cc(cnc1C)O 271570a_100020621405_100009819603 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.374 CCCCc1cc(cnc1F)O 271570a_100020621405_100009817267 [1,1,0,0,0,0|2,0,0]=4 3137 B12R1.374 CCCCc1cc(ncc1C)O 271570a_100020621405_100009831917 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.374 CCCNc1cc(ccc1Br)O 34a_100011999798_100000210303 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.374 CCCNc1cc(ccc1C)O 34a_100011216113_100000210303 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.374 CCCNc1cc(ccc1Cl)O 34a_100011934297_100000210303 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.374 CCCNc1cc(ccc1F)O 34a_100012017239_100000210303 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.374 CCCSc1cc(ccc1Br)O 62a_100000210303_100012339312 [1,1,0,0,0,0|2,0,0]=4 3143 B12R1.374 CCCSc1cc(ccc1Br)O 62a_100012339312_100000210303 [1,1,0,0,0,0|2,0,0]=4 3144 B12R1.374 CCCSc1cc(ccc1C)O 62a_100000210303_100011380479 [1,1,0,0,0,0|2,0,0]=4 3145 B12R1.374 CCCSc1cc(ccc1C)O 62a_100011380479_100000210303 [1,1,0,0,0,0|2,0,0]=4 3146 B12R1.374 CCCSc1cc(ccc1Cl)O 62a_100000049588_100000210303 [1,1,0,0,0,0|2,0,0]=4 3147 B12R1.374 CCCSc1cc(ccc1Cl)O 62a_100000210303_100000049588 [1,1,0,0,0,0|2,0,0]=4 3148 B12R1.374 CCCSc1cc(ccc1F)O 62a_100000210303_100000693481 [1,1,0,0,0,0|2,0,0]=4 3149 B12R1.374 CCCSc1cc(ccc1F)O 62a_100000693481_100000210303 [1,1,0,0,0,0|2,0,0]=4 3150 B12R1.374 CCCSc1cc(ccc1N)O 62a_100000210303_100012001276 [1,1,0,0,0,0|2,0,0]=4 3151 B12R1.374 CCCSc1cc(ccc1N)O 62a_100012001276_100000210303 [1,1,0,0,0,0|2,0,0]=4 3152 B12R1.374 CCCSc1cc(ccc1O)O 62a_100000210303_100009813629 [1,1,0,0,0,0|2,0,0]=4 3153 B12R1.374 CCNCc1cc(ccc1C)O 34a_200009844824_100000210202 [1,1,0,0,0,0|2,0,0]=4 3154 B12R1.374 CCNCc1cc(ccc1F)O 271570a_203496583355_100000748473 [1,1,0,0,0,0|2,0,0]=4 3155 B12R1.374 CCNCc1cc(ccc1O)O 271570a_203496583355_100000765307 [1,1,0,0,0,0|2,0,0]=4 3156 B12R1.374 CNCCc1cc(ccc1C)C 2230a_200011485678_200000210301 [1,1,0,0,0,0|1,0,0]=3 3157 B12R1.374 CNCCc1cc(ccc1C)C 34a_200011485678_200000210301 [1,1,0,0,0,0|1,0,0]=3 3158 B12R1.374 CNCCc1cc(ccc1Cl)Cl 2230a_100000705354_200000210301 [1,1,0,0,0,0|1,0,0]=3 3159 B12R1.374 CNCCc1cc(ccc1Cl)Cl 34a_100000705354_200000210301 [1,1,0,0,0,0|1,0,0]=3 3160 B12R1.374 CNCCc1cc(ccc1F)Cl 2230a_200011997525_200000210301 [1,1,0,0,0,0|1,0,0]=3 3161 B12R1.374 CNCCc1cc(ccc1F)Cl 34a_200011997525_200000210301 [1,1,0,0,0,0|1,0,0]=3 3162 B12R1.374 CNCCc1cc(ccc1F)F 2230a_106832991635_100011755056 [1,1,0,0,0,0|1,0,0]=3 3163 B12R1.374 CNCCc1cc(ccc1F)F 34a_100102657272_100011755056 [1,1,0,0,0,0|1,0,0]=3 3164 B12R1.374 CNCCc1cc(ccc1F)F 7a_106832991635_100011755056 [1,1,0,0,0,0|1,0,0]=3 3165 B12R1.374 COCCc1cc(ccc1Br)Cl 34a_100012426913_200000210301 [1,1,0,0,0,0|2,0,0]=4 3166 B12R1.374 COCCc1cc(ccc1Br)Cl 7a_100012426913_200000210301 [1,1,0,0,0,0|2,0,0]=4 3167 B12R1.374 COCCc1cc(ccc1C)C 34a_100011694955_200000210301 [1,1,0,0,0,0|2,0,0]=4 3168 B12R1.374 COCCc1cc(ccc1C)C 7a_100011694955_200000210301 [1,1,0,0,0,0|2,0,0]=4 3169 B12R1.374 COCCc1cc(ccc1Cl)Cl 34a_100011754359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3170 B12R1.374 COCCc1cc(ccc1Cl)Cl 7a_100011754359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3171 B12R1.374 COCCc1cc(ccc1F)F 34a_100011755048_200000210301 [1,1,0,0,0,0|2,0,0]=4 3172 B12R1.374 COCCc1cc(ccc1F)F 34a_100138415774_100011755056 [1,1,0,0,0,0|2,0,0]=4 3173 B12R1.374 COCCc1cc(ccc1F)F 7a_100011755048_200000210301 [1,1,0,0,0,0|2,0,0]=4 3174 B12R1.374 COCSc1cc(ccc1Br)O 62a_100000766300_100012339312 [1,1,0,0,0,0|2,0,0]=4 3175 B12R1.374 COCSc1cc(ccc1Br)O 62a_100012339312_100000766300 [1,1,0,0,0,0|2,0,0]=4 3176 B12R1.374 COCSc1cc(ccc1C)O 62a_100000766300_100011380479 [1,1,0,0,0,0|2,0,0]=4 3177 B12R1.374 COCSc1cc(ccc1C)O 62a_100011380479_100000766300 [1,1,0,0,0,0|2,0,0]=4 3178 B12R1.374 COCSc1cc(ccc1Cl)O 62a_100000049588_100000766300 [1,1,0,0,0,0|2,0,0]=4 3179 B12R1.374 COCSc1cc(ccc1Cl)O 62a_100000766300_100000049588 [1,1,0,0,0,0|2,0,0]=4 3180 B12R1.374 COCSc1cc(ccc1F)O 62a_100000693481_100000766300 [1,1,0,0,0,0|2,0,0]=4 3181 B12R1.374 COCSc1cc(ccc1F)O 62a_100000766300_100000693481 [1,1,0,0,0,0|2,0,0]=4 3182 B12R1.374 COCSc1cc(ccc1N)O 62a_100000766300_100012001276 [1,1,0,0,0,0|2,0,0]=4 3183 B12R1.374 COCSc1cc(ccc1N)O 62a_100012001276_100000766300 [1,1,0,0,0,0|2,0,0]=4 3184 B12R1.374 COCSc1cc(ccc1O)O 62a_100000766300_100009813629 [1,1,0,0,0,0|2,0,0]=4 3185 B12R1.374 CSCCc1cc(ccc1F)F 62a_100011755056_200000210301 [1,1,0,0,0,0|2,0,0]=4 3186 B12R1.374 CSCCc1cc(ccc1F)F 62a_200000210301_100011755056 [1,1,0,0,0,0|2,0,0]=4 3187 B12R1.374 CSCNc1cc(ccc1Br)O 34a_100011999798_100011218213 [1,1,0,0,0,0|2,0,0]=4 3188 B12R1.374 CSCNc1cc(ccc1C)O 34a_100011216113_100011218213 [1,1,0,0,0,0|2,0,0]=4 3189 B12R1.374 CSCNc1cc(ccc1Cl)O 34a_100011934297_100011218213 [1,1,0,0,0,0|2,0,0]=4 3190 B12R1.374 CSCNc1cc(ccc1F)O 34a_100012017239_100011218213 [1,1,0,0,0,0|2,0,0]=4 3191 B12R1.374 CSCSc1cc(ccc1Br)O 62a_100011218213_100012339312 [1,1,0,0,0,0|2,0,0]=4 3192 B12R1.374 CSCSc1cc(ccc1Br)O 62a_100012339312_100011218213 [1,1,0,0,0,0|2,0,0]=4 3193 B12R1.374 CSCSc1cc(ccc1C)O 62a_100011218213_100011380479 [1,1,0,0,0,0|2,0,0]=4 3194 B12R1.374 CSCSc1cc(ccc1C)O 62a_100011380479_100011218213 [1,1,0,0,0,0|2,0,0]=4 3195 B12R1.374 CSCSc1cc(ccc1Cl)O 62a_100000049588_100011218213 [1,1,0,0,0,0|2,0,0]=4 3196 B12R1.374 CSCSc1cc(ccc1Cl)O 62a_100011218213_100000049588 [1,1,0,0,0,0|2,0,0]=4 3197 B12R1.374 CSCSc1cc(ccc1F)O 62a_100000693481_100011218213 [1,1,0,0,0,0|2,0,0]=4 3198 B12R1.374 CSCSc1cc(ccc1F)O 62a_100011218213_100000693481 [1,1,0,0,0,0|2,0,0]=4 3199 B12R1.374 CSCSc1cc(ccc1N)O 62a_100011218213_100012001276 [1,1,0,0,0,0|2,0,0]=4 3200 B12R1.374 CSCSc1cc(ccc1N)O 62a_100012001276_100011218213 [1,1,0,0,0,0|2,0,0]=4 3201 B12R1.374 CSCSc1cc(ccc1O)O 62a_100011218213_100009813629 [1,1,0,0,0,0|2,0,0]=4 3202 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 2230a_200011485678_200025704644 [1,1,0,0,0,0|1,0,0]=3 3203 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 34a_200011485678_200025704644 [1,1,0,0,0,0|1,0,0]=3 3204 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 34a_100011694955_200025704644 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 7a_100011694955_200025704644 [1,1,0,0,0,0|2,0,0]=4 3206 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 2230a_100000705354_200025704644 [1,1,0,0,0,0|1,0,0]=3 3207 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 34a_100000705354_200025704644 [1,1,0,0,0,0|1,0,0]=3 3208 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 2230a_200011997525_200025704644 [1,1,0,0,0,0|1,0,0]=3 3209 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 34a_200011997525_200025704644 [1,1,0,0,0,0|1,0,0]=3 3210 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 34a_100012426913_200025704644 [1,1,0,0,0,0|2,0,0]=4 3211 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 7a_100012426913_200025704644 [1,1,0,0,0,0|2,0,0]=4 3212 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 34a_100011754359_200025704644 [1,1,0,0,0,0|2,0,0]=4 3213 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 7a_100011754359_200025704644 [1,1,0,0,0,0|2,0,0]=4 3214 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 34a_100011755048_200025704644 [1,1,0,0,0,0|2,0,0]=4 3215 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 7a_100011755048_200025704644 [1,1,0,0,0,0|2,0,0]=4 3216 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_100011755056_200025704644 [1,1,0,0,0,0|2,0,0]=4 3217 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_200025704644_100011755056 [1,1,0,0,0,0|2,0,0]=4 3218 B12R1.382 C=Cc1cccc(c1)CCCC 271570a_100011290941_200010244551 [1,1,0,0,0,0|2,0,0]=4 3219 B12R1.382 CCCCc1cc(ccn1)CO 271570a_100020621405_100009814636 [1,1,0,0,0,0|2,0,0]=4 3220 B12R1.382 CCCCc1cc(ccn1)OC 271570a_100020621405_100011216251 [1,1,0,0,0,0|2,0,0]=4 3221 B12R1.382 CCCCc1cccc(c1)C#N 271570a_100020621405_100000189340 [1,1,0,0,0,0|2,0,0]=4 3222 B12R1.382 CCCCc1cccc(c1)C=O 271570a_100020621405_100000014684 [1,1,0,0,0,0|1,0,1]=4 3223 B12R1.382 CCCCc1cccc(c1)CC 271570a_100020621405_100000684523 [1,1,0,0,0,0|2,0,0]=4 3224 B12R1.382 CCCCc1cccc(c1)CF 271570a_100020621405_100010878472 [1,1,0,0,0,0|2,0,0]=4 3225 B12R1.382 CCCCc1cccc(c1)CN 271570a_100020621405_100000106179 [1,1,0,0,0,0|2,0,0]=4 3226 B12R1.382 CCCCc1cccc(c1)CO 271570a_100020621405_100000687537 [1,1,0,0,0,0|1,0,0]=3 3227 B12R1.382 CCCCc1cccc(c1)NC 2230a_200012017287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.382 CCCCc1cccc(c1)NC 271570a_100020621405_100000219648 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.382 CCCCc1cccc(c1)NC 34a_200012017287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.382 CCCCc1cccc(c1)NC 7a_200012017287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3231 B12R1.382 CCCCc1cccc(c1)NN 271570a_100020621405_100000217339 [1,1,0,0,0,0|2,0,0]=4 3232 B12R1.382 CCCCc1cccc(c1)N[13CH3] 2230a_200012017287_200025704644 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.382 CCCCc1cccc(c1)N[13CH3] 34a_200012017287_200025704644 [1,1,0,0,0,0|2,0,0]=4 3234 B12R1.382 CCCCc1cccc(c1)N[13CH3] 7a_200012017287_200025704644 [1,1,0,0,0,0|2,0,0]=4 3235 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [1,1,0,0,0,0|1,0,0]=3 3236 B12R1.382 CCCCc1cccc(c1)SC 271570a_100020621405_100011215954 [1,1,0,0,0,0|1,1,0]=4 3237 B12R1.382 CCCCc1cccc(c1)SC 62a_200000210301_200010244551 [1,1,0,0,0,0|1,1,0]=4 3238 B12R1.382 CCCCc1cccc(c1)SC 62a_200010244551_200000210301 [1,1,0,0,0,0|1,1,0]=4 3239 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200010244551_200025704644 [1,1,0,0,0,0|1,1,0]=4 3240 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200025704644_200010244551 [1,1,0,0,0,0|1,1,0]=4 3241 B12R1.382 CCCCc1cccc(n1)CO 271570a_100020621405_100000694195 [1,1,0,0,0,0|2,0,0]=4 3242 B12R1.382 CCCCc1cccc(n1)OC 271570a_100020621405_100000760917 [1,1,0,0,0,0|2,0,0]=4 3243 B12R1.382 CCCCc1ccnc(c1)CO 271570a_100020621405_100009819072 [1,1,0,0,0,0|2,0,0]=4 3244 B12R1.382 CCCCc1ccnc(c1)OC 271570a_100020621405_100000117307 [1,1,0,0,0,0|2,0,0]=4 3245 B12R1.382 CCCCc1cncc(c1)CO 271570a_100020621405_100011259137 [1,1,0,0,0,0|2,0,0]=4 3246 B12R1.382 CCCCc1cncc(c1)OC 271570a_100020621405_100000684773 [1,1,0,0,0,0|2,0,0]=4 3247 B12R1.382 CCCNc1cccc(c1)CO 2230a_100000211919_100000210303 [1,1,0,0,0,0|2,0,0]=4 3248 B12R1.382 CCCNc1cccc(c1)CO 34a_100000211919_100000210303 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.382 CCCNc1cccc(c1)OC 34a_100000210024_100000210303 [1,1,0,0,0,0|2,0,0]=4 3250 B12R1.382 CCCOc1cccc(c1)CO 34a_100011214949_100000210303 [1,1,0,0,0,0|2,0,0]=4 3251 B12R1.382 CCCOc1cccc(c1)CO 7a_100011214949_100000210303 [1,1,0,0,0,0|2,0,0]=4 3252 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [1,1,0,0,0,0|2,0,0]=4 3255 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3256 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.382 CCCSc1cccc(c1)CO 62a_100000210303_100000687537 [1,1,0,0,0,0|2,0,0]=4 3259 B12R1.382 CCCSc1cccc(c1)CO 62a_100000687537_100000210303 [1,1,0,0,0,0|2,0,0]=4 3260 B12R1.382 CCCSc1cccc(c1)OC 62a_100000210303_100000170001 [1,1,0,0,0,0|2,0,0]=4 3261 B12R1.382 CCNCc1cccc(c1)CO 207a_100015525214_200000050894 [1,1,0,0,0,0|2,0,0]=4 3262 B12R1.382 CCNCc1cccc(c1)CO 2230a_100011269909_100000210202 [1,1,0,0,0,0|2,0,0]=4 3263 B12R1.382 CCNCc1cccc(c1)CO 2230a_100015525214_100010188025 [1,1,0,0,0,0|2,0,0]=4 3264 B12R1.382 CCNCc1cccc(c1)CO 270004a_100015525214_200000050894 [1,1,0,0,0,0|2,0,0]=4 3265 B12R1.382 CCNCc1cccc(c1)CO 34a_100011269909_100000210202 [1,1,0,0,0,0|2,0,0]=4 3266 B12R1.382 CCNCc1cccc(c1)OC 207a_100015525214_100000170238 [1,1,0,0,0,0|2,0,0]=4 3267 B12R1.382 CCNCc1cccc(c1)OC 2230a_100000174954_100000210202 [1,1,0,0,0,0|2,0,0]=4 3268 B12R1.382 CCNCc1cccc(c1)OC 2230a_100015525214_100000211672 [1,1,0,0,0,0|2,0,0]=4 3269 B12R1.382 CCNCc1cccc(c1)OC 270004a_100015525214_100000170238 [1,1,0,0,0,0|2,0,0]=4 3270 B12R1.382 CCNCc1cccc(c1)OC 34a_100000174954_100000210202 [1,1,0,0,0,0|2,0,0]=4 3271 B12R1.382 CCNCc1cccc(c1)OC 34a_100000201218_200000210301 [1,1,0,0,0,0|2,0,0]=4 3272 B12R1.382 CCNCc1cccc(c1)O[13CH3] 34a_100000201218_200025704644 [1,1,0,0,0,0|2,0,0]=4 3273 B12R1.382 CCOCc1cccc(c1)CO 34a_100121572206_100010188025 [1,1,0,0,0,0|2,0,0]=4 3274 B12R1.382 CCOCc1cccc(c1)OC 34a_100000198976_100000210202 [1,1,0,0,0,0|2,0,0]=4 3275 B12R1.382 CCOCc1cccc(c1)OC 34a_100121572206_100000688526 [1,1,0,0,0,0|2,0,0]=4 3276 B12R1.382 CCSCc1cccc(c1)CO 62a_100000210202_100010188025 [1,1,0,0,0,0|2,0,0]=4 3277 B12R1.382 CCSCc1cccc(c1)CO 62a_100010188025_100000210202 [1,1,0,0,0,0|2,0,0]=4 3278 B12R1.382 CCSCc1cccc(c1)OC 62a_100000210202_100000211672 [1,1,0,0,0,0|2,0,0]=4 3279 B12R1.382 CCSCc1cccc(c1)OC 62a_100000688526_100000210202 [1,1,0,0,0,0|2,0,0]=4 3280 B12R1.382 CNCCc1cccc(c1)OC 2230a_100000740386_200000210301 [1,1,0,0,0,0|0,0,0]=2 3281 B12R1.382 CNCCc1cccc(c1)OC 2230a_106832991635_100011713679 [1,1,0,0,0,0|0,0,0]=2 3282 B12R1.382 CNCCc1cccc(c1)OC 34a_100000740386_200000210301 [1,1,0,0,0,0|0,0,0]=2 3283 B12R1.382 CNCCc1cccc(c1)OC 34a_100102657272_100011713679 [1,1,0,0,0,0|0,0,0]=2 3284 B12R1.382 CNCCc1cccc(c1)OC 7a_106832991635_100011713679 [1,1,0,0,0,0|0,0,0]=2 3285 B12R1.382 COCCc1cccc(c1)C#N 34a_100012001419_200000210301 [1,1,0,0,0,0|2,0,0]=4 3286 B12R1.382 COCCc1cccc(c1)C#N 7a_100012001419_200000210301 [1,1,0,0,0,0|2,0,0]=4 3287 B12R1.382 COCCc1cccc(c1)OC 34a_100011215300_200000210301 [1,1,0,0,0,0|1,0,0]=3 3288 B12R1.382 COCCc1cccc(c1)OC 34a_100138415774_100011713679 [1,1,0,0,0,0|1,0,0]=3 3289 B12R1.382 COCCc1cccc(c1)OC 7a_100011215300_200000210301 [1,1,0,0,0,0|1,0,0]=3 3290 B12R1.382 COCNc1cccc(c1)CO 2230a_100000211919_100000766300 [1,1,0,0,0,0|2,0,0]=4 3291 B12R1.382 COCSc1cccc(c1)CO 62a_100000687537_100000766300 [1,1,0,0,0,0|2,0,0]=4 3292 B12R1.382 COCSc1cccc(c1)CO 62a_100000766300_100000687537 [1,1,0,0,0,0|2,0,0]=4 3293 B12R1.382 COCSc1cccc(c1)OC 62a_100000766300_100000170001 [1,1,0,0,0,0|2,0,0]=4 3294 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [1,1,0,0,0,0|2,0,0]=4 3295 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [1,1,0,0,0,0|2,0,0]=4 3296 B12R1.382 COc1cccc(c1)CCN[13CH3] 2230a_100000740386_200025704644 [1,1,0,0,0,0|0,0,0]=2 3297 B12R1.382 COc1cccc(c1)CCN[13CH3] 34a_100000740386_200025704644 [1,1,0,0,0,0|0,0,0]=2 3298 B12R1.382 COc1cccc(c1)CCO[13CH3] 34a_100011215300_200025704644 [1,1,0,0,0,0|1,0,0]=3 3299 B12R1.382 COc1cccc(c1)CCO[13CH3] 7a_100011215300_200025704644 [1,1,0,0,0,0|1,0,0]=3 3300 B12R1.382 COc1cccc(c1)CCSC 62a_100011713679_200000210301 [1,1,0,0,0,0|1,0,0]=3 3301 B12R1.382 COc1cccc(c1)CCSC 62a_200000210301_100011713679 [1,1,0,0,0,0|1,0,0]=3 3302 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_100011713679_200025704644 [1,1,0,0,0,0|1,0,0]=3 3303 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713679 [1,1,0,0,0,0|1,0,0]=3 3304 B12R1.382 COc1cccc(c1)NCSC 34a_100000210024_100011218213 [1,1,0,0,0,0|2,0,0]=4 3305 B12R1.382 COc1cccc(c1)OCSC 34a_100000211255_100011218213 [1,1,0,0,0,0|2,0,0]=4 3306 B12R1.382 COc1cccc(c1)SCSC 62a_100011218213_100000170001 [1,1,0,0,0,0|2,0,0]=4 3307 B12R1.382 CSCNc1cccc(c1)CO 2230a_100000211919_100011218213 [1,1,0,0,0,0|2,0,0]=4 3308 B12R1.382 CSCNc1cccc(c1)CO 34a_100000211919_100011218213 [1,1,0,0,0,0|2,0,0]=4 3309 B12R1.382 CSCOc1cccc(c1)CO 34a_100011214949_100011218213 [1,1,0,0,0,0|2,0,0]=4 3310 B12R1.382 CSCSc1cccc(c1)CO 62a_100000687537_100011218213 [1,1,0,0,0,0|2,0,0]=4 3311 B12R1.382 CSCSc1cccc(c1)CO 62a_100011218213_100000687537 [1,1,0,0,0,0|2,0,0]=4 3312 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 34a_100012001419_200025704644 [1,1,0,0,0,0|2,0,0]=4 3313 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 7a_100012001419_200025704644 [1,1,0,0,0,0|2,0,0]=4 3314 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [1,1,0,0,0,0|2,0,0]=4 3315 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.385 CCCCc1c[nH]c(=O)c(c1)O 271570a_100020621405_100009814561 [1,1,0,0,0,0|2,0,0]=4 3317 B12R1.385 CCCCc1cc(c(cn1)C)O 271570a_100020621405_100000704368 [1,1,0,0,0,0|2,0,0]=4 3318 B12R1.385 CCCCc1cc(c(cn1)F)O 271570a_100020621405_100009854642 [1,1,0,0,0,0|2,0,0]=4 3319 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [1,1,0,0,0,0|2,0,0]=4 3320 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [1,1,0,0,0,0|2,0,0]=4 3321 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [1,1,0,0,0,0|2,0,0]=4 3322 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [1,1,0,0,0,0|2,0,0]=4 3323 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [1,1,0,0,0,0|2,0,0]=4 3324 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [1,1,0,0,0,0|2,0,0]=4 3325 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [1,1,0,0,0,0|2,0,0]=4 3326 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [1,1,0,0,0,0|2,0,0]=4 3327 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [1,1,0,0,0,0|2,0,0]=4 3328 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [1,1,0,0,0,0|2,0,0]=4 3329 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [1,1,0,0,0,0|2,0,0]=4 3330 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [1,1,0,0,0,0|2,0,0]=4 3331 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [1,1,0,0,0,0|2,0,0]=4 3332 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [1,1,0,0,0,0|2,0,0]=4 3333 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [1,1,0,0,0,0|2,0,0]=4 3334 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [1,1,0,0,0,0|2,0,0]=4 3335 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [1,1,0,0,0,0|2,0,0]=4 3336 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [1,1,0,0,0,0|2,0,0]=4 3337 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [1,1,0,0,0,0|2,0,0]=4 3338 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [1,1,0,0,0,0|2,0,0]=4 3339 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [1,1,0,0,0,0|2,0,0]=4 3340 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [1,1,0,0,0,0|2,0,0]=4 3341 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [1,1,0,0,0,0|2,0,0]=4 3342 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [1,1,0,0,0,0|2,0,0]=4 3343 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [1,1,0,0,0,0|2,0,0]=4 3344 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [1,1,0,0,0,0|2,0,0]=4 3345 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [1,1,0,0,0,0|2,0,0]=4 3346 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [1,1,0,0,0,0|2,0,0]=4 3347 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [1,1,0,0,0,0|2,0,0]=4 3348 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [1,1,0,0,0,0|2,0,0]=4 3349 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [1,1,0,0,0,0|1,0,0]=3 3350 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [1,1,0,0,0,0|1,0,0]=3 3351 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [1,1,0,0,0,0|1,0,0]=3 3352 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [1,1,0,0,0,0|1,0,0]=3 3353 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [1,1,0,0,0,0|1,0,0]=3 3354 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [1,1,0,0,0,0|1,0,0]=3 3355 B12R1.385 CCCCc1ccc(c(n1)O)F 271570a_100020621405_100010729010 [1,1,0,0,0,0|2,0,0]=4 3356 B12R1.385 CCCCc1ccc(c(n1)O)N 271570a_100020621405_100000718904 [1,1,0,0,0,0|2,0,0]=4 3357 B12R1.385 CCCCc1cnc(c(c1)O)C 271570a_100020621405_100009864810 [1,1,0,0,0,0|2,0,0]=4 3358 B12R1.385 CCCCc1cnc(c(c1)O)F 271570a_100020621405_100009819871 [1,1,0,0,0,0|2,0,0]=4 3359 B12R1.385 CCCCc1cnc(c(c1)O)N 271570a_100020621405_100009819042 [1,1,0,0,0,0|2,0,0]=4 3360 B12R1.385 CCCNc1ccc(c(c1)O)C 34a_100000759471_100000210303 [1,1,0,0,0,0|2,0,0]=4 3361 B12R1.385 CCCNc1ccc(c(c1)O)C 7a_100000759471_100000210303 [1,1,0,0,0,0|2,0,0]=4 3362 B12R1.385 CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210303 [1,1,0,0,0,0|2,0,0]=4 3363 B12R1.385 CCCNc1ccc(c(c1)O)F 34a_100012017398_100000210303 [1,1,0,0,0,0|2,0,0]=4 3364 B12R1.385 CCCNc1ccc(c(c1)O)F 7a_100012017398_100000210303 [1,1,0,0,0,0|2,0,0]=4 3365 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100000210303_100012356990 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210303 [1,1,0,0,0,0|2,0,0]=4 3368 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000210303_100000685420 [1,1,0,0,0,0|2,0,0]=4 3369 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000685420_100000210303 [1,1,0,0,0,0|2,0,0]=4 3370 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100000210303_100011356854 [1,1,0,0,0,0|2,0,0]=4 3371 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210303 [1,1,0,0,0,0|2,0,0]=4 3372 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000210303_100000686035 [1,1,0,0,0,0|2,0,0]=4 3373 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000686035_100000210303 [1,1,0,0,0,0|2,0,0]=4 3374 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000210303_100000739049 [1,1,0,0,0,0|2,0,0]=4 3375 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000739049_100000210303 [1,1,0,0,0,0|2,0,0]=4 3376 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [1,1,0,0,0,0|2,0,0]=4 3377 B12R1.385 CCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210202 [1,1,0,0,0,0|2,0,0]=4 3378 B12R1.385 CCNCc1ccc(c(c1)O)F 34a_100160469508_100000210202 [1,1,0,0,0,0|2,0,0]=4 3379 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [1,1,0,0,0,0|2,0,0]=4 3380 B12R1.385 CNCCc1ccc(c(c1)C)C 2230a_100020591374_200000210301 [1,1,0,0,0,0|1,0,0]=3 3381 B12R1.385 CNCCc1ccc(c(c1)C)C 34a_100020591374_200000210301 [1,1,0,0,0,0|1,0,0]=3 3382 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200000210301 [1,1,0,0,0,0|1,0,0]=3 3383 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100011713676 [1,1,0,0,0,0|1,0,0]=3 3384 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200000210301 [1,1,0,0,0,0|1,0,0]=3 3385 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100102657272_100011713676 [1,1,0,0,0,0|1,0,0]=3 3386 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 7a_106832991635_100011713676 [1,1,0,0,0,0|1,0,0]=3 3387 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_106832991635_100012361305 [1,1,0,0,0,0|1,0,0]=3 3388 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_200011997520_200000210301 [1,1,0,0,0,0|1,0,0]=3 3389 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_100102657272_100012361305 [1,1,0,0,0,0|1,0,0]=3 3390 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_200011997520_200000210301 [1,1,0,0,0,0|1,0,0]=3 3391 B12R1.385 CNCCc1ccc(c(c1)Cl)F 7a_106832991635_100012361305 [1,1,0,0,0,0|1,0,0]=3 3392 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_106832991635_100000690553 [1,1,0,0,0,0|1,0,0]=3 3393 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_200000706328_200000210301 [1,1,0,0,0,0|1,0,0]=3 3394 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_100102657272_100000690553 [1,1,0,0,0,0|1,0,0]=3 3395 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_200000706328_200000210301 [1,1,0,0,0,0|1,0,0]=3 3396 B12R1.385 CNCCc1ccc(c(c1)F)F 7a_106832991635_100000690553 [1,1,0,0,0,0|1,0,0]=3 3397 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [1,1,0,0,0,0|0,0,0]=2 3398 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [1,1,0,0,0,0|0,0,0]=2 3399 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200000210301 [1,1,0,0,0,0|2,0,0]=4 3400 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100138415774_100011713676 [1,1,0,0,0,0|2,0,0]=4 3401 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200000210301 [1,1,0,0,0,0|2,0,0]=4 3402 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100011830478_200000210301 [1,1,0,0,0,0|2,0,0]=4 3403 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100138415774_100012361305 [1,1,0,0,0,0|2,0,0]=4 3404 B12R1.385 COCCc1ccc(c(c1)Cl)F 7a_100011830478_200000210301 [1,1,0,0,0,0|2,0,0]=4 3405 B12R1.385 COCCc1ccc(c(c1)F)Br 34a_100012921202_200000210301 [1,1,0,0,0,0|2,0,0]=4 3406 B12R1.385 COCCc1ccc(c(c1)F)Br 7a_100012921202_200000210301 [1,1,0,0,0,0|2,0,0]=4 3407 B12R1.385 COCCc1ccc(c(c1)F)Cl 34a_100011934464_200000210301 [1,1,0,0,0,0|2,0,0]=4 3408 B12R1.385 COCCc1ccc(c(c1)F)Cl 7a_100011934464_200000210301 [1,1,0,0,0,0|2,0,0]=4 3409 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100000690376_200000210301 [1,1,0,0,0,0|2,0,0]=4 3410 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100138415774_100000690553 [1,1,0,0,0,0|2,0,0]=4 3411 B12R1.385 COCCc1ccc(c(c1)F)F 7a_100000690376_200000210301 [1,1,0,0,0,0|2,0,0]=4 3412 B12R1.385 COCOc1ccc(c(c1)O)C 271570a_203496583355_200015918306 [1,1,0,0,0,0|2,0,0]=4 3413 B12R1.385 COCSc1ccc(c(c1)O)Br 62a_100000766300_100012356990 [1,1,0,0,0,0|2,0,0]=4 3414 B12R1.385 COCSc1ccc(c(c1)O)Br 62a_100012356990_100000766300 [1,1,0,0,0,0|2,0,0]=4 3415 B12R1.385 COCSc1ccc(c(c1)O)C 62a_100000685420_100000766300 [1,1,0,0,0,0|2,0,0]=4 3416 B12R1.385 COCSc1ccc(c(c1)O)C 62a_100000766300_100000685420 [1,1,0,0,0,0|2,0,0]=4 3417 B12R1.385 COCSc1ccc(c(c1)O)Cl 62a_100000766300_100011356854 [1,1,0,0,0,0|2,0,0]=4 3418 B12R1.385 COCSc1ccc(c(c1)O)Cl 62a_100011356854_100000766300 [1,1,0,0,0,0|2,0,0]=4 3419 B12R1.385 COCSc1ccc(c(c1)O)F 62a_100000686035_100000766300 [1,1,0,0,0,0|2,0,0]=4 3420 B12R1.385 COCSc1ccc(c(c1)O)F 62a_100000766300_100000686035 [1,1,0,0,0,0|2,0,0]=4 3421 B12R1.385 COCSc1ccc(c(c1)O)N 62a_100000739049_100000766300 [1,1,0,0,0,0|2,0,0]=4 3422 B12R1.385 COCSc1ccc(c(c1)O)N 62a_100000766300_100000739049 [1,1,0,0,0,0|2,0,0]=4 3423 B12R1.385 COCSc1ccc(c(c1)O)O 62a_100000766300_100009813601 [1,1,0,0,0,0|2,0,0]=4 3424 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200000210301 [1,1,0,0,0,0|2,0,0]=4 3425 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_200000210301_100011713676 [1,1,0,0,0,0|2,0,0]=4 3426 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_100012361305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3427 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_200000210301_100012361305 [1,1,0,0,0,0|2,0,0]=4 3428 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_100000690553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3429 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_200000210301_100000690553 [1,1,0,0,0,0|2,0,0]=4 3430 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [1,1,0,0,0,0|1,0,0]=3 3431 B12R1.385 CSCNc1ccc(c(c1)O)C 34a_100000759471_100011218213 [1,1,0,0,0,0|2,0,0]=4 3432 B12R1.385 CSCNc1ccc(c(c1)O)Cl 34a_100011934209_100011218213 [1,1,0,0,0,0|2,0,0]=4 3433 B12R1.385 CSCNc1ccc(c(c1)O)F 34a_100012017398_100011218213 [1,1,0,0,0,0|2,0,0]=4 3434 B12R1.385 CSCNc1ccc(c(c1)O)O 34a_100102946323_100011218213 [1,1,0,0,0,0|2,0,0]=4 3435 B12R1.385 CSCSc1ccc(c(c1)O)Br 62a_100011218213_100012356990 [1,1,0,0,0,0|2,0,0]=4 3436 B12R1.385 CSCSc1ccc(c(c1)O)Br 62a_100012356990_100011218213 [1,1,0,0,0,0|2,0,0]=4 3437 B12R1.385 CSCSc1ccc(c(c1)O)C 62a_100000685420_100011218213 [1,1,0,0,0,0|2,0,0]=4 3438 B12R1.385 CSCSc1ccc(c(c1)O)C 62a_100011218213_100000685420 [1,1,0,0,0,0|2,0,0]=4 3439 B12R1.385 CSCSc1ccc(c(c1)O)Cl 62a_100011218213_100011356854 [1,1,0,0,0,0|2,0,0]=4 3440 B12R1.385 CSCSc1ccc(c(c1)O)Cl 62a_100011356854_100011218213 [1,1,0,0,0,0|2,0,0]=4 3441 B12R1.385 CSCSc1ccc(c(c1)O)F 62a_100000686035_100011218213 [1,1,0,0,0,0|2,0,0]=4 3442 B12R1.385 CSCSc1ccc(c(c1)O)F 62a_100011218213_100000686035 [1,1,0,0,0,0|2,0,0]=4 3443 B12R1.385 CSCSc1ccc(c(c1)O)N 62a_100000739049_100011218213 [1,1,0,0,0,0|2,0,0]=4 3444 B12R1.385 CSCSc1ccc(c(c1)O)N 62a_100011218213_100000739049 [1,1,0,0,0,0|2,0,0]=4 3445 B12R1.385 CSCSc1ccc(c(c1)O)O 62a_100011218213_100009813601 [1,1,0,0,0,0|2,0,0]=4 3446 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 2230a_100020591374_200025704644 [1,1,0,0,0,0|1,0,0]=3 3447 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 34a_100020591374_200025704644 [1,1,0,0,0,0|1,0,0]=3 3448 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200025704644 [1,1,0,0,0,0|1,0,0]=3 3449 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200025704644 [1,1,0,0,0,0|1,0,0]=3 3450 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 2230a_200011997520_200025704644 [1,1,0,0,0,0|1,0,0]=3 3451 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 34a_200011997520_200025704644 [1,1,0,0,0,0|1,0,0]=3 3452 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 2230a_200000706328_200025704644 [1,1,0,0,0,0|1,0,0]=3 3453 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 34a_200000706328_200025704644 [1,1,0,0,0,0|1,0,0]=3 3454 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [1,1,0,0,0,0|0,0,0]=2 3455 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200025704644 [1,1,0,0,0,0|2,0,0]=4 3456 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200025704644 [1,1,0,0,0,0|2,0,0]=4 3457 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 34a_100011830478_200025704644 [1,1,0,0,0,0|2,0,0]=4 3458 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 7a_100011830478_200025704644 [1,1,0,0,0,0|2,0,0]=4 3459 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 34a_100012921202_200025704644 [1,1,0,0,0,0|2,0,0]=4 3460 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 7a_100012921202_200025704644 [1,1,0,0,0,0|2,0,0]=4 3461 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 34a_100011934464_200025704644 [1,1,0,0,0,0|2,0,0]=4 3462 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 7a_100011934464_200025704644 [1,1,0,0,0,0|2,0,0]=4 3463 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 34a_100000690376_200025704644 [1,1,0,0,0,0|2,0,0]=4 3464 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 7a_100000690376_200025704644 [1,1,0,0,0,0|2,0,0]=4 3465 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200025704644 [1,1,0,0,0,0|2,0,0]=4 3466 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_200025704644_100011713676 [1,1,0,0,0,0|2,0,0]=4 3467 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_100012361305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3468 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_200025704644_100012361305 [1,1,0,0,0,0|2,0,0]=4 3469 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_100000690553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3470 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_200025704644_100000690553 [1,1,0,0,0,0|2,0,0]=4 3471 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [1,1,0,0,0,0|1,0,0]=3 3472 B14R1.17 CCCC(C)Nc1cccc(c1Br)O 34a_100012183704_100000766640 [0,1,0,0,0,1|2,0,0]=4 3473 B14R1.17 CCCC(C)Nc1cccc(c1Br)O 7a_100012183704_100000766640 [0,1,0,0,0,1|2,0,0]=4 3474 B14R1.17 CCCC(C)Nc1cccc(c1C)O 34a_100011216573_100000766640 [0,1,0,0,0,1|2,0,0]=4 3475 B14R1.17 CCCC(C)Nc1cccc(c1C)O 7a_100011216573_100000766640 [0,1,0,0,0,1|2,0,0]=4 3476 B14R1.17 CCCC(C)Nc1cccc(c1Cl)O 34a_100012002038_100000766640 [0,1,0,0,0,1|2,0,0]=4 3477 B14R1.17 CCCC(C)Nc1cccc(c1Cl)O 7a_100012002038_100000766640 [0,1,0,0,0,1|2,0,0]=4 3478 B14R1.17 CCCC(C)Sc1cccc(c1Br)O 62a_100000766640_100010187914 [0,1,0,0,0,1|2,0,0]=4 3479 B14R1.17 CCCC(C)Sc1cccc(c1Br)O 62a_100010187914_100000766640 [0,1,0,0,0,1|2,0,0]=4 3480 B14R1.17 CCCC(C)Sc1cccc(c1C)O 62a_100000766640_100012002258 [0,1,0,0,0,1|2,0,0]=4 3481 B14R1.17 CCCC(C)Sc1cccc(c1C)O 62a_100012002258_100000766640 [0,1,0,0,0,1|2,0,0]=4 3482 B14R1.17 CCCC(C)Sc1cccc(c1Cl)O 62a_100000766640_100000049636 [0,1,0,0,0,1|2,0,0]=4 3483 B14R1.17 CCCC(C)Sc1cccc(c1F)O 62a_100000766640_100009817021 [0,1,0,0,0,1|2,0,0]=4 3484 B14R1.17 CCCC(C)Sc1cccc(c1F)O 62a_100009817021_100000766640 [0,1,0,0,0,1|2,0,0]=4 3485 B14R1.17 CCCC(C)Sc1cccc(c1N)O 62a_100000766640_100011934926 [0,1,0,0,0,1|2,0,0]=4 3486 B14R1.17 CCCC(C)Sc1cccc(c1O)O 62a_100000766640_100009815950 [0,1,0,0,0,1|2,0,0]=4 3487 B14R1.17 COCC(C)Nc1cccc(c1Br)O 34a_100012183704_100000765312 [0,1,0,0,0,1|2,0,0]=4 3488 B14R1.17 COCC(C)Nc1cccc(c1Br)O 7a_100012183704_100000765312 [0,1,0,0,0,1|2,0,0]=4 3489 B14R1.17 COCC(C)Nc1cccc(c1C)O 34a_100011216573_100000765312 [0,1,0,0,0,1|2,0,0]=4 3490 B14R1.17 COCC(C)Nc1cccc(c1C)O 7a_100011216573_100000765312 [0,1,0,0,0,1|2,0,0]=4 3491 B14R1.17 COCC(C)Nc1cccc(c1Cl)O 34a_100012002038_100000765312 [0,1,0,0,0,1|2,0,0]=4 3492 B14R1.17 COCC(C)Nc1cccc(c1Cl)O 7a_100012002038_100000765312 [0,1,0,0,0,1|2,0,0]=4 3493 B14R1.17 COCC(C)Sc1cccc(c1Br)O 62a_100000765312_100010187914 [0,1,0,0,0,1|2,0,0]=4 3494 B14R1.17 COCC(C)Sc1cccc(c1Br)O 62a_100010187914_100000765312 [0,1,0,0,0,1|2,0,0]=4 3495 B14R1.17 COCC(C)Sc1cccc(c1C)O 62a_100000765312_100012002258 [0,1,0,0,0,1|2,0,0]=4 3496 B14R1.17 COCC(C)Sc1cccc(c1C)O 62a_100012002258_100000765312 [0,1,0,0,0,1|2,0,0]=4 3497 B14R1.17 COCC(C)Sc1cccc(c1Cl)O 62a_100000765312_100000049636 [0,1,0,0,0,1|2,0,0]=4 3498 B14R1.17 COCC(C)Sc1cccc(c1F)O 62a_100000765312_100009817021 [0,1,0,0,0,1|2,0,0]=4 3499 B14R1.17 COCC(C)Sc1cccc(c1F)O 62a_100009817021_100000765312 [0,1,0,0,0,1|2,0,0]=4 3500 B14R1.17 COCC(C)Sc1cccc(c1N)O 62a_100000765312_100011934926 [0,1,0,0,0,1|2,0,0]=4 3501 B14R1.17 COCC(C)Sc1cccc(c1O)O 62a_100000765312_100009815950 [0,1,0,0,0,1|2,0,0]=4 3502 B14R1.34 CCCCC(C)Nc1cccc(c1)O 34a_100000210217_200011215066 [0,1,0,0,0,1|2,0,0]=4 3503 B14R1.34 CCCCC(C)Sc1cccc(c1)O 62a_200011215066_100000211634 [0,1,0,0,0,1|2,0,0]=4 3504 B14R1.34 CCNCC(=O)Nc1cccc(c1)O 2230a_100015525214_100011236192 [0,1,0,0,0,1|0,0,2]=4 3505 B14R1.34 CNCCC(=O)Nc1cccc(c1)O 2230a_106832991635_200011436826 [0,1,0,0,0,1|0,0,2]=4 3506 B14R1.34 CNCCC(=O)Nc1cccc(c1)O 34a_100102657272_200011436826 [0,1,0,0,0,1|0,0,2]=4 3507 B14R1.34 CNCCC(=O)Nc1cccc(c1)O 7a_106832991635_200011436826 [0,1,0,0,0,1|0,0,2]=4 3508 B14R1.36 CCCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000766640 [0,1,0,0,0,1|2,0,0]=4 3509 B14R1.36 CCCC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000766640 [0,1,0,0,0,1|2,0,0]=4 3510 B14R1.36 CCCC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000766640 [0,1,0,0,0,1|2,0,0]=4 3511 B14R1.36 CCCC(C)N(C)c1cccc(c1)O 34a_100000756613_100000766640 [0,1,0,0,0,1|2,0,0]=4 3512 B14R1.36 COCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000765312 [0,1,0,0,0,1|2,0,0]=4 3513 B14R1.36 COCC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000765312 [0,1,0,0,0,1|2,0,0]=4 3514 B14R1.36 COCC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000765312 [0,1,0,0,0,1|2,0,0]=4 3515 B14R1.36 COCC(C)N(C)c1cccc(c1)O 34a_100000756613_100000765312 [0,1,0,0,0,1|2,0,0]=4 3516 B14R1.73 CCCC(CC)Sc1cccc(c1)O 62a_100011219200_100000211634 [0,1,0,0,0,1|2,0,0]=4 3517 B14R1.135 CNC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100000731044 [0,1,0,0,0,1|1,0,1]=4 3518 B14R1.135 CNC(=O)C(C)Sc1cccc(c1)O 62a_100000209862_100000211634 [0,1,0,0,0,1|1,0,1]=4 3519 B14R1.135 CNC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100009813575 [0,1,0,0,0,1|1,0,1]=4 3520 B14R1.135 CNC(=O)C(F)Sc1cccc(c1)O 62a_100009813575_100000211634 [0,1,0,0,0,1|1,0,1]=4 3521 B14R1.135 CNC(=O)C(O)Cc1cccc(c1)Br 240690a_100102657272_100012362086 [0,1,0,0,0,1|1,0,1]=4 3522 B14R1.135 CNC(=O)[C@@H](O)Cc1cccc(c1)F 240690a_100102657272_200016142683 [0,1,0,0,0,1|1,0,1]=4 3523 B14R1.950 CCCC(C)Nc1cc(ccc1Br)O 34a_100011999798_100000766640 [0,1,0,0,0,1|2,0,0]=4 3524 B14R1.950 CCCC(C)Nc1cc(ccc1C)O 34a_100011216113_100000766640 [0,1,0,0,0,1|2,0,0]=4 3525 B14R1.950 CCCC(C)Nc1cc(ccc1Cl)O 34a_100011934297_100000766640 [0,1,0,0,0,1|2,0,0]=4 3526 B14R1.950 CCCC(C)Nc1cc(ccc1F)O 34a_100012017239_100000766640 [0,1,0,0,0,1|2,0,0]=4 3527 B14R1.950 CCCC(C)Sc1cc(ccc1Br)O 62a_100000766640_100012339312 [0,1,0,0,0,1|2,0,0]=4 3528 B14R1.950 CCCC(C)Sc1cc(ccc1Br)O 62a_100012339312_100000766640 [0,1,0,0,0,1|2,0,0]=4 3529 B14R1.950 CCCC(C)Sc1cc(ccc1C)O 62a_100000766640_100011380479 [0,1,0,0,0,1|2,0,0]=4 3530 B14R1.950 CCCC(C)Sc1cc(ccc1C)O 62a_100011380479_100000766640 [0,1,0,0,0,1|2,0,0]=4 3531 B14R1.950 CCCC(C)Sc1cc(ccc1Cl)O 62a_100000049588_100000766640 [0,1,0,0,0,1|2,0,0]=4 3532 B14R1.950 CCCC(C)Sc1cc(ccc1Cl)O 62a_100000766640_100000049588 [0,1,0,0,0,1|2,0,0]=4 3533 B14R1.950 CCCC(C)Sc1cc(ccc1F)O 62a_100000693481_100000766640 [0,1,0,0,0,1|2,0,0]=4 3534 B14R1.950 CCCC(C)Sc1cc(ccc1F)O 62a_100000766640_100000693481 [0,1,0,0,0,1|2,0,0]=4 3535 B14R1.950 CCCC(C)Sc1cc(ccc1N)O 62a_100000766640_100012001276 [0,1,0,0,0,1|2,0,0]=4 3536 B14R1.950 CCCC(C)Sc1cc(ccc1N)O 62a_100012001276_100000766640 [0,1,0,0,0,1|2,0,0]=4 3537 B14R1.950 CCCC(C)Sc1cc(ccc1O)O 62a_100000766640_100009813629 [0,1,0,0,0,1|2,0,0]=4 3538 B14R1.950 COCC(C)Nc1cc(ccc1Br)O 34a_100011999798_100000765312 [0,1,0,0,0,1|2,0,0]=4 3539 B14R1.950 COCC(C)Nc1cc(ccc1C)O 34a_100011216113_100000765312 [0,1,0,0,0,1|2,0,0]=4 3540 B14R1.950 COCC(C)Nc1cc(ccc1Cl)O 34a_100011934297_100000765312 [0,1,0,0,0,1|2,0,0]=4 3541 B14R1.950 COCC(C)Nc1cc(ccc1F)O 34a_100012017239_100000765312 [0,1,0,0,0,1|2,0,0]=4 3542 B14R1.950 COCC(C)Sc1cc(ccc1Br)O 62a_100000765312_100012339312 [0,1,0,0,0,1|2,0,0]=4 3543 B14R1.950 COCC(C)Sc1cc(ccc1Br)O 62a_100012339312_100000765312 [0,1,0,0,0,1|2,0,0]=4 3544 B14R1.950 COCC(C)Sc1cc(ccc1C)O 62a_100000765312_100011380479 [0,1,0,0,0,1|2,0,0]=4 3545 B14R1.950 COCC(C)Sc1cc(ccc1C)O 62a_100011380479_100000765312 [0,1,0,0,0,1|2,0,0]=4 3546 B14R1.950 COCC(C)Sc1cc(ccc1Cl)O 62a_100000049588_100000765312 [0,1,0,0,0,1|2,0,0]=4 3547 B14R1.950 COCC(C)Sc1cc(ccc1Cl)O 62a_100000765312_100000049588 [0,1,0,0,0,1|2,0,0]=4 3548 B14R1.950 COCC(C)Sc1cc(ccc1F)O 62a_100000693481_100000765312 [0,1,0,0,0,1|2,0,0]=4 3549 B14R1.950 COCC(C)Sc1cc(ccc1F)O 62a_100000765312_100000693481 [0,1,0,0,0,1|2,0,0]=4 3550 B14R1.950 COCC(C)Sc1cc(ccc1N)O 62a_100000765312_100012001276 [0,1,0,0,0,1|2,0,0]=4 3551 B14R1.950 COCC(C)Sc1cc(ccc1N)O 62a_100012001276_100000765312 [0,1,0,0,0,1|2,0,0]=4 3552 B14R1.950 COCC(C)Sc1cc(ccc1O)O 62a_100000765312_100009813629 [0,1,0,0,0,1|2,0,0]=4 3553 B14R1.952 CCCC(C)Nc1cc(cc(c1)Cl)O 34a_100000123917_100000766640 [0,1,0,0,0,1|2,0,0]=4 3554 B14R1.952 CCCC(C)Nc1cc(cc(c1)Cl)O 7a_100000123917_100000766640 [0,1,0,0,0,1|2,0,0]=4 3555 B14R1.952 CCCC(C)Nc1cc(cc(c1)O)C 34a_100011995906_100000766640 [0,1,0,0,0,1|2,0,0]=4 3556 B14R1.952 CCCC(C)Nc1cc(cc(c1)O)C 7a_100011995906_100000766640 [0,1,0,0,0,1|2,0,0]=4 3557 B14R1.952 CCCC(C)Nc1cc(cc(c1)O)O 34a_100000043371_100000766640 [0,1,0,0,0,1|2,0,0]=4 3558 B14R1.952 CCCC(C)Sc1cc(cc(c1)Br)O 62a_100000766640_100010068917 [0,1,0,0,0,1|2,0,0]=4 3559 B14R1.952 CCCC(C)Sc1cc(cc(c1)Br)O 62a_100010068917_100000766640 [0,1,0,0,0,1|2,0,0]=4 3560 B14R1.952 CCCC(C)Sc1cc(cc(c1)Cl)O 62a_100000766640_100010068924 [0,1,0,0,0,1|2,0,0]=4 3561 B14R1.952 CCCC(C)Sc1cc(cc(c1)Cl)O 62a_100010068924_100000766640 [0,1,0,0,0,1|2,0,0]=4 3562 B14R1.952 CCCC(C)Sc1cc(cc(c1)F)O 62a_100000688818_100000766640 [0,1,0,0,0,1|2,0,0]=4 3563 B14R1.952 CCCC(C)Sc1cc(cc(c1)F)O 62a_100000766640_100000688818 [0,1,0,0,0,1|2,0,0]=4 3564 B14R1.952 CCCC(C)Sc1cc(cc(c1)O)C 62a_100000766640_100011999630 [0,1,0,0,0,1|2,0,0]=4 3565 B14R1.952 CCCC(C)Sc1cc(cc(c1)O)O 62a_100000766640_100009868816 [0,1,0,0,0,1|2,0,0]=4 3566 B14R1.952 COCC(C)Nc1cc(cc(c1)Cl)O 34a_100000123917_100000765312 [0,1,0,0,0,1|2,0,0]=4 3567 B14R1.952 COCC(C)Nc1cc(cc(c1)Cl)O 7a_100000123917_100000765312 [0,1,0,0,0,1|2,0,0]=4 3568 B14R1.952 COCC(C)Nc1cc(cc(c1)O)C 34a_100011995906_100000765312 [0,1,0,0,0,1|2,0,0]=4 3569 B14R1.952 COCC(C)Nc1cc(cc(c1)O)C 7a_100011995906_100000765312 [0,1,0,0,0,1|2,0,0]=4 3570 B14R1.952 COCC(C)Nc1cc(cc(c1)O)O 34a_100000043371_100000765312 [0,1,0,0,0,1|2,0,0]=4 3571 B14R1.952 COCC(C)Sc1cc(cc(c1)Br)O 62a_100000765312_100010068917 [0,1,0,0,0,1|2,0,0]=4 3572 B14R1.952 COCC(C)Sc1cc(cc(c1)Br)O 62a_100010068917_100000765312 [0,1,0,0,0,1|2,0,0]=4 3573 B14R1.952 COCC(C)Sc1cc(cc(c1)Cl)O 62a_100000765312_100010068924 [0,1,0,0,0,1|2,0,0]=4 3574 B14R1.952 COCC(C)Sc1cc(cc(c1)Cl)O 62a_100010068924_100000765312 [0,1,0,0,0,1|2,0,0]=4 3575 B14R1.952 COCC(C)Sc1cc(cc(c1)F)O 62a_100000688818_100000765312 [0,1,0,0,0,1|2,0,0]=4 3576 B14R1.952 COCC(C)Sc1cc(cc(c1)F)O 62a_100000765312_100000688818 [0,1,0,0,0,1|2,0,0]=4 3577 B14R1.952 COCC(C)Sc1cc(cc(c1)O)C 62a_100000765312_100011999630 [0,1,0,0,0,1|2,0,0]=4 3578 B14R1.952 COCC(C)Sc1cc(cc(c1)O)O 62a_100000765312_100009868816 [0,1,0,0,0,1|2,0,0]=4 3579 B14R1.962 CCCC(C)Nc1cccc(c1)CO 2230a_100000211919_100000766640 [0,1,0,0,0,1|2,0,0]=4 3580 B14R1.962 CCCC(C)Nc1cccc(c1)CO 34a_100000211919_100000766640 [0,1,0,0,0,1|2,0,0]=4 3581 B14R1.962 CCCC(C)Nc1cccc(c1)OC 34a_100000210024_100000766640 [0,1,0,0,0,1|2,0,0]=4 3582 B14R1.962 CCCC(C)Oc1cccc(c1)CO 34a_100011214949_100000766640 [0,1,0,0,0,1|2,0,0]=4 3583 B14R1.962 CCCC(C)Oc1cccc(c1)CO 7a_100011214949_100000766640 [0,1,0,0,0,1|2,0,0]=4 3584 B14R1.962 CCCC(C)Oc1cccc(c1)OC 34a_100000211255_100000766640 [0,1,0,0,0,1|2,0,0]=4 3585 B14R1.962 CCCC(C)Oc1cccc(c1)OC 7a_100000211255_100000766640 [0,1,0,0,0,1|2,0,0]=4 3586 B14R1.962 CCCC(C)Sc1cccc(c1)CO 62a_100000687537_100000766640 [0,1,0,0,0,1|2,0,0]=4 3587 B14R1.962 CCCC(C)Sc1cccc(c1)CO 62a_100000766640_100000687537 [0,1,0,0,0,1|2,0,0]=4 3588 B14R1.962 CCCC(C)Sc1cccc(c1)OC 62a_100000766640_100000170001 [0,1,0,0,0,1|2,0,0]=4 3589 B14R1.962 CNCC(=O)Cc1cccc(c1)OC 2230a_106832991635_100012183207 [0,1,0,0,0,1|0,0,2]=4 3590 B14R1.962 CNCC(=O)Cc1cccc(c1)OC 7a_106832991635_100012183207 [0,1,0,0,0,1|0,0,2]=4 3591 B14R1.962 CNCC(=O)Nc1cccc(c1)OC 2230a_100102560376_200000210301 [0,1,0,0,0,1|0,0,2]=4 3592 B14R1.962 CNCC(=O)Nc1cccc(c1)OC 2230a_106832991635_100000183523 [0,1,0,0,0,1|0,0,2]=4 3593 B14R1.962 CNCC(=O)Nc1cccc(c1)OC 34a_100102657272_100000183523 [0,1,0,0,0,1|0,0,2]=4 3594 B14R1.962 CNCC(=O)Nc1cccc(c1)OC 7a_106832991635_100000183523 [0,1,0,0,0,1|0,0,2]=4 3595 B14R1.962 COCC(C)Nc1cccc(c1)CO 2230a_100000211919_100000765312 [0,1,0,0,0,1|2,0,0]=4 3596 B14R1.962 COCC(C)Nc1cccc(c1)CO 34a_100000211919_100000765312 [0,1,0,0,0,1|2,0,0]=4 3597 B14R1.962 COCC(C)Nc1cccc(c1)OC 34a_100000210024_100000765312 [0,1,0,0,0,1|2,0,0]=4 3598 B14R1.962 COCC(C)Oc1cccc(c1)CO 34a_100011214949_100000765312 [0,1,0,0,0,1|2,0,0]=4 3599 B14R1.962 COCC(C)Oc1cccc(c1)CO 7a_100011214949_100000765312 [0,1,0,0,0,1|2,0,0]=4 3600 B14R1.962 COCC(C)Oc1cccc(c1)OC 34a_100000211255_100000765312 [0,1,0,0,0,1|2,0,0]=4 3601 B14R1.962 COCC(C)Oc1cccc(c1)OC 7a_100000211255_100000765312 [0,1,0,0,0,1|2,0,0]=4 3602 B14R1.962 COCC(C)Sc1cccc(c1)CO 62a_100000687537_100000765312 [0,1,0,0,0,1|2,0,0]=4 3603 B14R1.962 COCC(C)Sc1cccc(c1)CO 62a_100000765312_100000687537 [0,1,0,0,0,1|2,0,0]=4 3604 B14R1.962 COCC(C)Sc1cccc(c1)OC 62a_100000765312_100000170001 [0,1,0,0,0,1|2,0,0]=4 3605 B14R1.962 COCC(N)Cc1cccc(c1)OC 34a_200012001539_200000210301 [0,1,0,0,0,1|2,0,0]=4 3606 B14R1.962 COc1cccc(c1)CC(N)CO[13CH3] 34a_200012001539_200025704644 [0,1,0,0,0,1|2,0,0]=4 3607 B14R1.962 COc1cccc(c1)NC(=O)CN[13CH3] 2230a_100102560376_200025704644 [0,1,0,0,0,1|0,0,2]=4 3608 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)C 34a_100000759471_100000766640 [0,1,0,0,0,1|2,0,0]=4 3609 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000766640 [0,1,0,0,0,1|2,0,0]=4 3610 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100000766640 [0,1,0,0,0,1|2,0,0]=4 3611 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)F 34a_100012017398_100000766640 [0,1,0,0,0,1|2,0,0]=4 3612 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000766640 [0,1,0,0,0,1|2,0,0]=4 3613 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000766640 [0,1,0,0,0,1|2,0,0]=4 3614 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)Br 62a_100000766640_100012356990 [0,1,0,0,0,1|2,0,0]=4 3615 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100000766640 [0,1,0,0,0,1|2,0,0]=4 3616 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)C 62a_100000685420_100000766640 [0,1,0,0,0,1|2,0,0]=4 3617 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)C 62a_100000766640_100000685420 [0,1,0,0,0,1|2,0,0]=4 3618 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)Cl 62a_100000766640_100011356854 [0,1,0,0,0,1|2,0,0]=4 3619 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000766640 [0,1,0,0,0,1|2,0,0]=4 3620 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)F 62a_100000686035_100000766640 [0,1,0,0,0,1|2,0,0]=4 3621 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)F 62a_100000766640_100000686035 [0,1,0,0,0,1|2,0,0]=4 3622 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)N 62a_100000739049_100000766640 [0,1,0,0,0,1|2,0,0]=4 3623 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)N 62a_100000766640_100000739049 [0,1,0,0,0,1|2,0,0]=4 3624 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)O 62a_100000766640_100009813601 [0,1,0,0,0,1|2,0,0]=4 3625 B14R1.967 COCC(C)Nc1ccc(c(c1)O)C 34a_100000759471_100000765312 [0,1,0,0,0,1|2,0,0]=4 3626 B14R1.967 COCC(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000765312 [0,1,0,0,0,1|2,0,0]=4 3627 B14R1.967 COCC(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100000765312 [0,1,0,0,0,1|2,0,0]=4 3628 B14R1.967 COCC(C)Nc1ccc(c(c1)O)F 34a_100012017398_100000765312 [0,1,0,0,0,1|2,0,0]=4 3629 B14R1.967 COCC(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000765312 [0,1,0,0,0,1|2,0,0]=4 3630 B14R1.967 COCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000765312 [0,1,0,0,0,1|2,0,0]=4 3631 B14R1.967 COCC(C)Sc1ccc(c(c1)O)Br 62a_100000765312_100012356990 [0,1,0,0,0,1|2,0,0]=4 3632 B14R1.967 COCC(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100000765312 [0,1,0,0,0,1|2,0,0]=4 3633 B14R1.967 COCC(C)Sc1ccc(c(c1)O)C 62a_100000685420_100000765312 [0,1,0,0,0,1|2,0,0]=4 3634 B14R1.967 COCC(C)Sc1ccc(c(c1)O)C 62a_100000765312_100000685420 [0,1,0,0,0,1|2,0,0]=4 3635 B14R1.967 COCC(C)Sc1ccc(c(c1)O)Cl 62a_100000765312_100011356854 [0,1,0,0,0,1|2,0,0]=4 3636 B14R1.967 COCC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000765312 [0,1,0,0,0,1|2,0,0]=4 3637 B14R1.967 COCC(C)Sc1ccc(c(c1)O)F 62a_100000686035_100000765312 [0,1,0,0,0,1|2,0,0]=4 3638 B14R1.967 COCC(C)Sc1ccc(c(c1)O)F 62a_100000765312_100000686035 [0,1,0,0,0,1|2,0,0]=4 3639 B14R1.967 COCC(C)Sc1ccc(c(c1)O)N 62a_100000739049_100000765312 [0,1,0,0,0,1|2,0,0]=4 3640 B14R1.967 COCC(C)Sc1ccc(c(c1)O)N 62a_100000765312_100000739049 [0,1,0,0,0,1|2,0,0]=4 3641 B14R1.967 COCC(C)Sc1ccc(c(c1)O)O 62a_100000765312_100009813601 [0,1,0,0,0,1|2,0,0]=4 3642 B14R1.5978 CC(C)CC(C)Nc1cccc(c1)O 34a_100000210217_100000731052 [0,1,0,0,0,1|2,0,0]=4 3643 B14R1.5978 CC(C)CC(C)Sc1cccc(c1)O 62a_100000731052_100000211634 [0,1,0,0,0,1|2,0,0]=4 3644 B14R1.5978 CC(CN(C)C)Sc1cc(ccn1)O 62a_100020606517_100000762945 [0,1,0,0,0,1|2,0,0]=4 3645 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)Br 62a_100000691529_100020606517 [0,1,0,0,0,1|2,0,0]=4 3646 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)Br 62a_100020606517_100000691529 [0,1,0,0,0,1|2,0,0]=4 3647 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)Cl 62a_100000699651_100020606517 [0,1,0,0,0,1|2,0,0]=4 3648 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)Cl 62a_100020606517_100000699651 [0,1,0,0,0,1|2,0,0]=4 3649 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)F 62a_100000685547_100020606517 [0,1,0,0,0,1|2,0,0]=4 3650 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)F 62a_100020606517_100000685547 [0,1,0,0,0,1|2,0,0]=4 3651 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)N 62a_100000210019_100020606517 [0,1,0,0,0,1|2,0,0]=4 3652 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)N 62a_100020606517_100000210019 [0,1,0,0,0,1|2,0,0]=4 3653 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)O 62a_100020606517_100000211634 [0,1,0,0,0,1|1,0,0]=3 3654 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)[S] 62a_100020606517_114929384022 [0,1,0,0,0,1|1,1,0]=4 3655 B14R1.5978 CC(CN(C)C)Sc1cccc(c1)[S] 62a_114929384022_100020606517 [0,1,0,0,0,1|1,1,0]=4 3656 B14R1.5978 CC(CN(C)C)Sc1cncc(c1)O 62a_100000754920_100020606517 [0,1,0,0,0,1|2,0,0]=4 3657 B14R1.5978 CC(CN(C)C)Sc1cncc(c1)O 62a_100020606517_100000754920 [0,1,0,0,0,1|2,0,0]=4 3658 B14R1.5978 CN(C)CC(=O)Cc1cccc(c1)O 1458a_100000750896_100011660834 [0,1,0,0,0,1|0,0,2]=4 3659 B14R1.5978 CN(C)CC(=O)Nc1cccc(c1)O 2230a_100102631434_100011236192 [0,1,0,0,0,1|0,0,2]=4 3660 B14R1.5978 CN(C)CC(=O)Nc1cccc(c1)O 22a_100000210217_100000750896 [0,1,0,0,0,1|0,0,2]=4 3661 B14R1.5978 CN(C)CC(=O)Nc1cccc(c1)O 269982a_100102631434_100011236192 [0,1,0,0,0,1|0,0,2]=4 3662 B14R1.5978 CN(C)CC(=O)Nc1cccc(c1)O 527a_100000210217_100000750896 [0,1,0,0,0,1|0,0,2]=4 3663 B14R1.5978 Cc1cccc(c1)SC(C)CN(C)C 62a_100011215228_100020606517 [0,1,0,0,0,1|2,0,0]=4 3664 B14R1.5978 Cc1cccc(c1)SC(C)CN(C)C 62a_100020606517_100011215228 [0,1,0,0,0,1|2,0,0]=4 3665 B14R1.22 C#CCNC(CO)c1cccc(c1)O 2230a_100025717460_100000038162 [0,2,0,0,0,0|1,0,1]=4 3666 B14R1.22 C#CCNC(CO)c1cccc(c1)O 34a_100025717460_100000184674 [0,2,0,0,0,0|1,0,1]=4 3667 B14R1.22 C=CCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210623 [0,2,0,0,0,0|1,0,1]=4 3668 B14R1.22 C=CCNC(CO)c1cccc(c1)O 34a_100025717460_100015514636 [0,2,0,0,0,0|1,0,1]=4 3669 B14R1.22 CCC(NCOC)c1cccc(c1)O 2230a_100159312145_100000766300 [0,2,0,0,0,0|2,0,0]=4 3670 B14R1.22 CCC(NCSC)c1cccc(c1)O 2230a_100159312145_100011218213 [0,2,0,0,0,0|2,0,0]=4 3671 B14R1.22 CCC(NCSC)c1cccc(c1)O 34a_100159312145_100011218213 [0,2,0,0,0,0|2,0,0]=4 3672 B14R1.22 CCCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210303 [0,2,0,0,0,0|2,0,0]=4 3673 B14R1.22 CCCNC(CC)c1cccc(c1)O 269862a_100020643023_100011996911 [0,2,0,0,0,0|2,0,0]=4 3674 B14R1.22 CCCNC(CC)c1cccc(c1)O 34a_100159312145_100000210303 [0,2,0,0,0,0|2,0,0]=4 3675 B14R1.22 CCCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000210303 [0,2,0,0,0,0|2,0,0]=4 3676 B14R1.22 CCCNC(CO)c1cccc(c1)Br 34a_100000690078_100000210303 [0,2,0,0,0,0|2,0,0]=4 3677 B14R1.22 CCCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210303 [0,2,0,0,0,0|1,0,0]=3 3678 B14R1.22 CCCNC(CO)c1cccc(c1)O 34a_100025717460_100000210303 [0,2,0,0,0,0|1,0,0]=3 3679 B14R1.22 CCCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000210303 [0,2,0,0,0,0|2,0,0]=4 3680 B14R1.22 CCCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000210303 [0,2,0,0,0,0|2,0,0]=4 3681 B14R1.22 CCCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000210303 [0,2,0,0,0,0|2,0,0]=4 3682 B14R1.22 CCCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000210303 [0,2,0,0,0,0|2,0,0]=4 3683 B14R1.22 CCCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000210303 [0,2,0,0,0,0|2,0,0]=4 3684 B14R1.22 CCCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000210303 [0,2,0,0,0,0|2,0,0]=4 3685 B14R1.22 COCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000766300 [0,2,0,0,0,0|2,0,0]=4 3686 B14R1.22 COCNC(CO)c1cccc(c1)O 2230a_100025717460_100000766300 [0,2,0,0,0,0|1,0,0]=3 3687 B14R1.22 COCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000766300 [0,2,0,0,0,0|2,0,0]=4 3688 B14R1.22 COCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000766300 [0,2,0,0,0,0|2,0,0]=4 3689 B14R1.22 COCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000766300 [0,2,0,0,0,0|2,0,0]=4 3690 B14R1.22 CSCNC(CO)c1cccc(c1)Br 2230a_100000690078_100011218213 [0,2,0,0,0,0|2,0,0]=4 3691 B14R1.22 CSCNC(CO)c1cccc(c1)Br 34a_100000690078_100011218213 [0,2,0,0,0,0|2,0,0]=4 3692 B14R1.22 CSCNC(CO)c1cccc(c1)O 2230a_100025717460_100011218213 [0,2,0,0,0,0|1,0,0]=3 3693 B14R1.22 CSCNC(CO)c1cccc(c1)O 34a_100025717460_100011218213 [0,2,0,0,0,0|1,0,0]=3 3694 B14R1.22 CSCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100011218213 [0,2,0,0,0,0|2,0,0]=4 3695 B14R1.22 CSCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100011218213 [0,2,0,0,0,0|2,0,0]=4 3696 B14R1.22 CSCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100011218213 [0,2,0,0,0,0|2,0,0]=4 3697 B14R1.22 CSCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100011218213 [0,2,0,0,0,0|2,0,0]=4 3698 B14R1.22 CSCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100011218213 [0,2,0,0,0,0|2,0,0]=4 3699 B14R1.22 CSCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100011218213 [0,2,0,0,0,0|2,0,0]=4 3700 B14R1.22 N#CCNC(CO)c1cccc(c1)O 2230a_100025717460_100011215382 [0,2,0,0,0,0|2,0,0]=4 3701 B14R1.22 O=CCNC(CO)c1cccc(c1)O 2230a_100025717460_200015260668 [0,2,0,0,0,0|2,0,0]=4 3702 B14R1.22 O=CCNC(CO)c1cccc(c1)O 34a_100025717460_200009817547 [0,2,0,0,0,0|2,0,0]=4 3703 B14R1.22 OCC(NCCF)c1cccc(c1)O 2230a_100025717460_100011217306 [0,2,0,0,0,0|2,0,0]=4 3704 B14R1.22 OCC(NCCF)c1cccc(c1)O 34a_100025717460_100011217306 [0,2,0,0,0,0|2,0,0]=4 3705 B14R1.22 OCCNC(CO)c1cccc(c1)O 2230a_100025717460_100000211926 [0,2,0,0,0,0|2,0,0]=4 3706 B14R1.22 OCCNC(CO)c1cccc(c1)O 34a_100025717460_100000211926 [0,2,0,0,0,0|2,0,0]=4 3707 B14R1.199 CCNC(CO)c1cccc(c1)OC 2230a_100020589383_100000210202 [0,2,0,0,0,0|2,0,0]=4 3708 B14R1.199 CCNC(CO)c1cccc(c1)OC 34a_100020589383_100000210202 [0,2,0,0,0,0|2,0,0]=4 3709 B14R1.504 CCN[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_100000210202 [0,2,0,0,0,0|2,0,0]=4 3710 B14R1.504 CCN[C@@H](CCO)c1cccc(c1)O 34a_100025705919_100000210202 [0,2,0,0,0,0|2,0,0]=4 3711 B14R1.504 CCOC(CNC)c1cccc(c1)Br 34a_200000733937_100000210202 [0,2,0,0,0,0|1,0,0]=3 3712 B14R1.504 CCOC(OCC)c1cccc(c1)O 271570a_203496583355_100009813828 [0,2,0,0,0,0|2,0,0]=4 3713 B14R1.504 CNCC(OCF)c1cccc(c1)Br 34a_200000733937_100015361967 [0,2,0,0,0,0|1,0,0]=3 3714 B14R1.711 CNC(=O)C(OC)c1cccc(c1)Cl 11a_106832991635_100012350482 [0,2,0,0,0,0|1,0,1]=4 3715 B14R1.711 CNC(=O)C(OC)c1cccc(c1)Cl 1626a_100102657272_100012350482 [0,2,0,0,0,0|1,0,1]=4 3716 B14R1.711 CNC(=O)C(OC)c1cccc(c1)Cl 240690a_100102657272_100012350482 [0,2,0,0,0,0|1,0,1]=4 3717 B14R1.711 CNC(=O)C(OC)c1cccc(c1)Cl 527a_100102657272_100012350482 [0,2,0,0,0,0|1,0,1]=4 3718 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)O 240690a_100025717460_100015343762 [0,2,0,0,0,0|2,0,0]=4 3719 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)O 527a_100025717460_100103153847 [0,2,0,0,0,0|2,0,0]=4 3720 B14R1.1020 CC(C)NC(CO)c1cccc(c1)O 2230a_100025717460_100000210206 [0,2,0,0,0,0|2,0,0]=4 3721 B14R1.1020 CC(C)NC(CO)c1cccc(c1)O 34a_100025717460_100000210206 [0,2,0,0,0,0|2,0,0]=4 3722 B14R1.18 CNC(=O)C(O)c1cccc(c1F)F 240690a_100102657272_200011215923 [0,2,0,0,0,0|1,0,1]=4 3723 B14R1.152 CC(C)C[C@H](N)c1cccc(c1Br)O 271570a_100015190218_100010187914 [0,2,0,0,0,0|2,0,0]=4 3724 B14R1.152 CC(C)C[C@H](N)c1cccc(c1Cl)O 271570a_100015190218_100000049636 [0,2,0,0,0,0|2,0,0]=4 3725 B14R1.152 CC(C)C[C@H](N)c1cccc(c1F)O 271570a_100015190218_100009817021 [0,2,0,0,0,0|2,0,0]=4 3726 B14R1.152 CC(C)C[C@H](N)c1cccc(c1N)O 271570a_100015190218_100011934926 [0,2,0,0,0,0|2,0,0]=4 3727 B14R1.152 CC(C)C[C@H](N)c1cccc(c1O)O 271570a_100015190218_100009815950 [0,2,0,0,0,0|2,0,0]=4 3728 B14R1.152 Cc1c(cccc1[C@@H](N)CC(C)C)O 271570a_100015190218_100012002258 [0,2,0,0,0,0|2,0,0]=4 3729 B14R1.11 CCC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100000210202 [0,2,0,0,0,0|2,0,0]=4 3730 B14R1.11 CCC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000758301 [0,2,0,0,0,0|2,0,0]=4 3731 B14R1.11 CCC(C)NC(C)c1cccc(c1)O 269862a_100000209981_100000211620 [0,2,0,0,0,0|2,0,0]=4 3732 B14R1.11 CCN(C)CC(=O)c1cccc(c1)O 269982a_100000225621_100009813753 [0,2,0,0,0,0|0,0,2]=4 3733 B14R1.11 CCN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_100000210202 [0,2,0,0,0,0|1,0,0]=3 3734 B14R1.11 CCN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_100000204670 [0,2,0,0,0,0|1,0,0]=3 3735 B14R1.11 CCN(C)CC(O)c1cccc(c1)O 2230a_100000737735_200000210301 [0,2,0,0,0,0|0,0,0]=2 3736 B14R1.11 CCN(C)CC(O)c1cccc(c1)O 269982a_100000737735_200000210301 [0,2,0,0,0,0|0,0,0]=2 3737 B14R1.11 CCN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_100000210202 [0,2,0,0,0,0|0,0,0]=2 3738 B14R1.11 CCN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_100000204670 [0,2,0,0,0,0|0,0,0]=2 3739 B14R1.11 CCN([13CH3])CC(O)c1cccc(c1)O 2230a_100000737735_200025704644 [0,2,0,0,0,0|0,0,0]=2 3740 B14R1.11 CCN([13CH3])CC(O)c1cccc(c1)O 269982a_100000737735_200025704644 [0,2,0,0,0,0|0,0,0]=2 3741 B14R1.11 CN(CF)CC(O)c1cccc(c1)Br 269982a_200000733937_100015361967 [0,2,0,0,0,0|1,0,0]=3 3742 B14R1.11 CN(CF)C[C@H](O)c1cccc(c1)O 269982a_100009815823_100015361967 [0,2,0,0,0,0|0,0,0]=2 3743 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183359 [0,2,0,0,0,0|0,0,2]=4 3744 B14R1.11 CNC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000183359 [0,2,0,0,0,0|2,0,0]=4 3745 B14R1.11 CNC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000183359 [0,2,0,0,0,0|2,0,0]=4 3746 B14R1.11 CNC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000183359 [0,2,0,0,0,0|2,0,0]=4 3747 B14R1.11 CNC(=O)C[C@H](O)c1cccc(c1)Cl 240690a_100102657272_100010423400 [0,2,0,0,0,0|1,0,0]=3 3748 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 2708a_100000740644_106832991635 [0,2,0,0,0,0|1,0,1]=4 3749 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 2708a_100102657272_100000740644 [0,2,0,0,0,0|1,0,1]=4 3750 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 273464a_100000740644_100102657272 [0,2,0,0,0,0|1,0,1]=4 3751 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 273464a_100102657272_100000740644 [0,2,0,0,0,0|1,0,1]=4 3752 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 512a_100000740644_100102657272 [0,2,0,0,0,0|1,0,1]=4 3753 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 512a_106832991638_100000740644 [0,2,0,0,0,0|1,0,1]=4 3754 B14R1.11 COC(=O)C[C@@H](N)c1cccc(c1)O 271570a_203496583355_100000700175 [0,2,0,0,0,0|2,0,0]=4 3755 B14R1.11 O=C(CF)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100015361967 [0,2,0,0,0,0|2,0,0]=4 3756 B14R1.20 C#CCNCC(=O)c1cccc(c1)O 34a_100000212058_100009813753 [0,2,0,0,0,0|0,0,2]=4 3757 B14R1.20 C#CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000038162 [0,2,0,0,0,0|0,0,0]=2 3758 B14R1.20 C#CCNCC(O)c1cccc(c1)O 34a_100020657549_100000184674 [0,2,0,0,0,0|0,0,0]=2 3759 B14R1.20 C=CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210623 [0,2,0,0,0,0|0,0,0]=2 3760 B14R1.20 C=CCNCC(O)c1cccc(c1)O 34a_100020657549_100015514636 [0,2,0,0,0,0|0,0,0]=2 3761 B14R1.20 CC#CCNC(C)c1cccc(c1)O 2230a_100000740644_100000748600 [0,2,0,0,0,0|2,0,0]=4 3762 B14R1.20 CC(NCCCF)c1cccc(c1)O 2230a_100000740644_100011934791 [0,2,0,0,0,0|2,0,0]=4 3763 B14R1.20 CC(NCCCF)c1cccc(c1)O 269862a_100015189416_100000211620 [0,2,0,0,0,0|2,0,0]=4 3764 B14R1.20 CC(NCCCO)c1cccc(c1)O 2230a_100000740644_100000230001 [0,2,0,0,0,0|2,0,0]=4 3765 B14R1.20 CC(NCCCO)c1cccc(c1)O 269862a_100000182051_100000211620 [0,2,0,0,0,0|2,0,0]=4 3766 B14R1.20 CC=CCNC(C)c1cccc(c1)O 2230a_100000740644_100000070051 [0,2,0,0,0,0|2,0,0]=4 3767 B14R1.20 CCCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210211 [0,2,0,0,0,0|2,0,0]=4 3768 B14R1.20 CCCCNC(C)c1cccc(c1)O 269862a_100000102301_100000211620 [0,2,0,0,0,0|2,0,0]=4 3769 B14R1.20 CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210303 [0,2,0,0,0,0|0,0,0]=2 3770 B14R1.20 CCCNCC(O)c1cccc(c1)O 34a_100020657549_100000210303 [0,2,0,0,0,0|0,0,0]=2 3771 B14R1.20 COCCNC(C)c1cccc(c1)O 2230a_100000740644_100011201679 [0,2,0,0,0,0|2,0,0]=4 3772 B14R1.20 COCCNC(C)c1cccc(c1)O 269862a_100000209980_100000211620 [0,2,0,0,0,0|2,0,0]=4 3773 B14R1.20 COCNCC(O)c1cccc(c1)O 2230a_100020657549_100000766300 [0,2,0,0,0,0|0,0,0]=2 3774 B14R1.20 CSCCNC(C)c1cccc(c1)O 2230a_100000740644_100000751147 [0,2,0,0,0,0|2,0,0]=4 3775 B14R1.20 CSCCNC(C)c1cccc(c1)O 269862a_100020590264_100000211620 [0,2,0,0,0,0|2,0,0]=4 3776 B14R1.20 CSCNCC(O)c1cccc(c1)O 2230a_100020657549_100011218213 [0,2,0,0,0,0|0,0,0]=2 3777 B14R1.20 CSCNCC(O)c1cccc(c1)O 34a_100020657549_100011218213 [0,2,0,0,0,0|0,0,0]=2 3778 B14R1.20 N#CCNCC(O)c1cccc(c1)O 2230a_100020657549_100011215382 [0,2,0,0,0,0|0,0,0]=2 3779 B14R1.20 O=C(CNCCF)c1cccc(c1)O 34a_100000724931_100009813753 [0,2,0,0,0,0|0,0,2]=4 3780 B14R1.20 O=C(CNCCO)c1cccc(c1)O 34a_100016990907_100009813753 [0,2,0,0,0,0|0,0,2]=4 3781 B14R1.20 O=CCNCC(O)c1cccc(c1)O 2230a_100020657549_200015260668 [0,2,0,0,0,0|0,0,0]=2 3782 B14R1.20 O=CCNCC(O)c1cccc(c1)O 34a_100020657549_200009817547 [0,2,0,0,0,0|0,0,0]=2 3783 B14R1.20 OCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000211926 [0,2,0,0,0,0|0,0,0]=2 3784 B14R1.20 OCCNCC(O)c1cccc(c1)O 34a_100020657549_100000211926 [0,2,0,0,0,0|0,0,0]=2 3785 B14R1.20 Oc1cccc(c1)C(O)CNCCF 2230a_100020657549_100011217306 [0,2,0,0,0,0|0,0,0]=2 3786 B14R1.20 Oc1cccc(c1)C(O)CNCCF 34a_100020657549_100011217306 [0,2,0,0,0,0|0,0,0]=2 3787 B14R1.126 CC(C)(CNCF)c1cccc(c1)F 34a_100000757675_100015361967 [0,2,0,0,0,0|2,0,0]=4 3788 B14R1.126 CCNCC(C)(C)c1cccc(c1)Br 2230a_100000749542_100000210202 [0,2,0,0,0,0|2,0,0]=4 3789 B14R1.126 CCNCC(C)(C)c1cccc(c1)Cl 2230a_100000747265_100000210202 [0,2,0,0,0,0|2,0,0]=4 3790 B14R1.126 CCNCC(C)(C)c1cccc(c1)F 2230a_100000757675_100000210202 [0,2,0,0,0,0|2,0,0]=4 3791 B14R1.126 CCNCC(C)(C)c1cccc(c1)F 34a_100000757675_100000210202 [0,2,0,0,0,0|2,0,0]=4 3792 B14R1.149 C=C(C)CNC(C)c1cccc(c1)O 2230a_100000740644_100000748629 [0,2,0,0,0,0|2,0,0]=4 3793 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100015343762 [0,2,0,0,0,0|0,0,0]=2 3794 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100103153847 [0,2,0,0,0,0|0,0,0]=2 3795 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 2230a_100000740644_100000210760 [0,2,0,0,0,0|2,0,0]=4 3796 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 269862a_100000210953_100000211620 [0,2,0,0,0,0|2,0,0]=4 3797 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 270004a_100000740644_100000210432 [0,2,0,0,0,0|2,0,0]=4 3798 B14R1.149 CC(C)NCC(=O)c1cccc(c1)O 34a_100138425928_100009813753 [0,2,0,0,0,0|0,0,2]=4 3799 B14R1.149 CC(C)NCC(O)c1cccc(c1)O 2230a_100020657549_100000210206 [0,2,0,0,0,0|0,0,0]=2 3800 B14R1.149 CC(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000210206 [0,2,0,0,0,0|0,0,0]=2 3801 B14R1.149 CC(NC[C@@H](C)O)c1cccc(c1)O 2230a_100000740644_100009817552 [0,2,0,0,0,0|2,0,0]=4 3802 B14R1.149 CC(O)CNC(C)c1cccc(c1)O 2230a_100000740644_100011218427 [0,2,0,0,0,0|2,0,0]=4 3803 B14R1.149 CC(O)CNC(C)c1cccc(c1)O 269862a_100000210904_100000211620 [0,2,0,0,0,0|2,0,0]=4 3804 B14R1.149 CN(C)CCN(C)c1cccc(c1)O 269982a_100000756613_100000755713 [0,2,0,0,0,0|2,0,0]=4 3805 B14R1.923 CCCNC(C)c1cc(cc(c1)O)C 269862a_100020643023_100009855872 [0,2,0,0,0,0|2,0,0]=4 3806 B14R1.923 CCNCC(=O)c1cc(cc(c1)O)O 2230a_100015525214_100010006762 [0,2,0,0,0,0|0,0,2]=4 3807 B14R1.934 CCCNC(C)c1cccc(c1)OC 2230a_100000737859_100000210303 [0,2,0,0,0,0|2,0,0]=4 3808 B14R1.934 CCCNC(C)c1cccc(c1)OC 269862a_100020643023_100000171656 [0,2,0,0,0,0|2,0,0]=4 3809 B14R1.934 CCCOC(C)c1cccc(c1)OC 34a_100000246466_100000210303 [0,2,0,0,0,0|2,0,0]=4 3810 B14R1.934 CCCOC(C)c1cccc(c1)OC 7a_100000246466_100000210303 [0,2,0,0,0,0|2,0,0]=4 3811 B14R1.934 CCNCC(O)c1cccc(c1)OC 34a_100000737735_200000210301 [0,2,0,0,0,0|0,0,0]=2 3812 B14R1.934 CCNCC(O)c1cccc(c1)O[13CH3] 34a_100000737735_200025704644 [0,2,0,0,0,0|0,0,0]=2 3813 B14R1.934 CCOCC(N)c1cccc(c1)OC 34a_100020589383_100000210202 [0,2,0,0,0,0|2,0,0]=4 3814 B14R1.934 COCCC(N)c1cccc(c1)OC 34a_200011661557_200000210301 [0,2,0,0,0,0|2,0,0]=4 3815 B14R1.934 COCNC(C)c1cccc(c1)OC 2230a_100000737859_100000766300 [0,2,0,0,0,0|2,0,0]=4 3816 B14R1.934 COc1cccc(c1)C(C)NCSC 2230a_100000737859_100011218213 [0,2,0,0,0,0|2,0,0]=4 3817 B14R1.934 COc1cccc(c1)C(C)OCSC 34a_100000246466_100011218213 [0,2,0,0,0,0|2,0,0]=4 3818 B14R1.934 COc1cccc(c1)C(N)CCO[13CH3] 34a_200011661557_200025704644 [0,2,0,0,0,0|2,0,0]=4 3819 B14R1.934 COc1cccc(c1)C(N)COCF 34a_100020589383_100015361967 [0,2,0,0,0,0|2,0,0]=4 3820 B14R1.941 CCCNC(C)c1ccc(c(c1)O)C 269862a_100020643023_100000084092 [0,2,0,0,0,0|2,0,0]=4 3821 B14R1.941 CCCNC(C)c1ccc(c(c1)O)F 269862a_100020643023_100000117923 [0,2,0,0,0,0|2,0,0]=4 3822 B14R1.941 CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210202 [0,2,0,0,0,0|0,0,0]=2 3823 B14R1.941 CCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100015525214_100000761251 [0,2,0,0,0,0|1,0,0]=3 3824 B14R1.941 CCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100121572206_100000761251 [0,2,0,0,0,0|2,0,0]=4 3825 B14R1.941 CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210202_100000761251 [0,2,0,0,0,0|2,0,0]=4 3826 B14R1.941 CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210202 [0,2,0,0,0,0|2,0,0]=4 3827 B14R1.941 O[C@H](CSCF)c1ccc(c(c1)F)F 62a_100000761251_100015361967 [0,2,0,0,0,0|2,0,0]=4 3828 B14R1.941 O[C@H](CSCF)c1ccc(c(c1)F)F 62a_100015361967_100000761251 [0,2,0,0,0,0|2,0,0]=4 3829 B14R1.941 Oc1ccc(cc1O)C(O)CNCF 34a_100000106456_100015361967 [0,2,0,0,0,0|0,0,0]=2 3830 B14R1.150 CN(C)C(=O)C(O)c1cccc(c1)Cl 240690a_100102631434_100011216955 [0,2,0,0,0,0|1,0,1]=4 3831 B14R1.150 CN(C)C(=O)C(O)c1cccc(c1)F 240690a_100102631434_100011434943 [0,2,0,0,0,0|1,0,1]=4 3832 B14R1.150 Cc1cccc(c1)C(O)C(=O)N(C)C 240690a_100102631434_100011434945 [0,2,0,0,0,0|1,0,1]=4 3833 B14R1.988 CNC(=O)C(O)c1cc(ccc1C)C 240690a_100102657272_100011497465 [0,2,0,0,0,0|1,0,1]=4 3834 B14R1.988 CNC(=O)C(O)c1cc(ccc1F)F 240690a_100102657272_200011216140 [0,2,0,0,0,0|1,0,1]=4 3835 B14R1.993 CNC(=O)C(O)c1cc(cc(c1)F)F 240690a_100102657272_100011218751 [0,2,0,0,0,0|1,0,1]=4 3836 B14R1.1003 CCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210202 [0,2,0,0,0,0|1,0,1]=4 3837 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)F)F 240690a_100102657272_100011217530 [0,2,0,0,0,0|1,0,1]=4 3838 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100102657272_200000032065 [0,2,0,0,0,0|0,0,1]=3 3839 B14R1.3190 CC(C)(CN[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000747966_200025704644 [0,2,0,0,0,0|2,0,0]=4 3840 B14R1.3190 CC(C)(CN[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000747966_200025704644 [0,2,0,0,0,0|2,0,0]=4 3841 B14R1.3190 CNCC(C)(C)c1ccc(c(c1)Cl)Cl 2230a_100000747966_200000210301 [0,2,0,0,0,0|2,0,0]=4 3842 B14R1.3190 CNCC(C)(C)c1ccc(c(c1)Cl)Cl 34a_100000747966_200000210301 [0,2,0,0,0,0|2,0,0]=4 3843 B14R1.74 CC(C)C[C@H](N)c1cccc(c1)CO 271570a_100015190218_100000687537 [0,2,0,0,0,0|2,0,0]=4 3844 B14R1.74 COc1cccc(c1)C(=O)CN(C)C 269982a_100102631434_100000211451 [0,2,0,0,0,0|0,0,2]=4 3845 B14R1.74 COc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100000170001 [0,2,0,0,0,0|2,0,0]=4 3846 B14R1.685 CC(=O)C[C@@H](O)c1ccc(c(c1)F)F 1458a_100000070787_100000761251 [0,2,0,0,0,0|2,0,0]=4 3847 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)Br 271570a_100015190218_100012356990 [0,2,0,0,0,0|2,0,0]=4 3848 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)Cl 271570a_100015190218_100011356854 [0,2,0,0,0,0|2,0,0]=4 3849 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)F 271570a_100015190218_100000686035 [0,2,0,0,0,0|2,0,0]=4 3850 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)N 271570a_100015190218_100000739049 [0,2,0,0,0,0|2,0,0]=4 3851 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)O 271570a_100015190218_100009813601 [0,2,0,0,0,0|2,0,0]=4 3852 B14R1.685 CN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100102631434_100000183813 [0,2,0,0,0,0|0,0,2]=4 3853 B14R1.685 CN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100102631434_100000761251 [0,2,0,0,0,0|1,0,0]=3 3854 B14R1.685 CN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100102631434_100000761251 [0,2,0,0,0,0|1,0,0]=3 3855 B14R1.685 Cc1ccc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000766334 [0,2,0,0,0,0|2,0,0]=4 3856 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Br)O 271570a_100015190218_100010068917 [0,2,0,0,0,0|2,0,0]=4 3857 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Cl)O 271570a_100015190218_100010068924 [0,2,0,0,0,0|2,0,0]=4 3858 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)F)O 271570a_100015190218_100000717995 [0,2,0,0,0,0|2,0,0]=4 3859 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)O)O 271570a_100015190218_100009868816 [0,2,0,0,0,0|2,0,0]=4 3860 B14R1.4252 CN(C)CC(=O)c1cc(cc(c1)O)O 2230a_100102631434_100010006762 [0,2,0,0,0,0|0,0,2]=4 3861 B14R1.4252 CN(C)CC(=O)c1cc(cc(c1)O)O 269982a_100102631434_100010006762 [0,2,0,0,0,0|0,0,2]=4 3862 B14R1.4252 Cc1cc(cc(c1)[C@@H](N)CC(C)C)O 271570a_100015190218_100011999630 [0,2,0,0,0,0|2,0,0]=4 3863 B14R1.6052 CC(C)C[C@H](N)c1cc(ccc1Br)O 271570a_100015190218_100012339312 [0,2,0,0,0,0|2,0,0]=4 3864 B14R1.6052 CC(C)C[C@H](N)c1cc(ccc1Cl)O 271570a_100015190218_100000049588 [0,2,0,0,0,0|2,0,0]=4 3865 B14R1.6052 CC(C)C[C@H](N)c1cc(ccc1F)O 271570a_100015190218_100000693481 [0,2,0,0,0,0|2,0,0]=4 3866 B14R1.6052 CC(C)C[C@H](N)c1cc(ccc1N)O 271570a_100015190218_100012001276 [0,2,0,0,0,0|2,0,0]=4 3867 B14R1.6052 CC(C)C[C@H](N)c1cc(ccc1O)O 271570a_100015190218_100009813629 [0,2,0,0,0,0|2,0,0]=4 3868 B14R1.6052 CN(C)CC(=O)c1cc(ccc1O)O 269982a_100102631434_100009814097 [0,2,0,0,0,0|0,0,2]=4 3869 B14R1.6052 Cc1ccc(cc1[C@@H](N)CC(C)C)O 271570a_100015190218_100011380479 [0,2,0,0,0,0|2,0,0]=4 3870 B14R1.601 CNCC(=O)c1cc(ccc1O)OC 7a_106832991635_100010402061 [0,2,0,0,0,0|0,0,2]=4 3871 B14R1.605 COC[C@@H](N)c1cc(cc(c1)OC)F 34a_100016157442_200000210301 [0,2,0,0,0,0|2,0,0]=4 3872 B14R1.605 COc1cc(cc(c1)[C@H](N)CO[13CH3])F 34a_100016157442_200025704644 [0,2,0,0,0,0|2,0,0]=4 3873 B14R1.471 C=C=Cc1cccc(c1)C(O)CNC 271570a_100015277604_200000733937 [0,2,0,0,0,0|1,0,0]=3 3874 B14R1.471 CC=Cc1cccc(c1)C(O)CNC 271570a_100016259895_200000733937 [0,2,0,0,0,0|1,0,0]=3 3875 B14R1.471 CCOc1cccc(c1)[C@@H](O)CNC 34a_100009815823_100000210202 [0,2,0,0,0,0|0,0,0]=2 3876 B14R1.471 CCSc1cccc(c1)C(O)CNC 62a_100000210202_200000733937 [0,2,0,0,0,0|0,1,0]=3 3877 B14R1.471 CCSc1cccc(c1)C(O)CNC 62a_200000733937_100000210202 [0,2,0,0,0,0|0,1,0]=3 3878 B14R1.471 CNCC(O)c1cccc(c1)SCF 62a_100015361967_200000733937 [0,2,0,0,0,0|0,1,0]=3 3879 B14R1.471 CNCC(O)c1cccc(c1)SCF 62a_200000733937_100015361967 [0,2,0,0,0,0|0,1,0]=3 3880 B14R1.471 CNC[C@H](O)c1cccc(c1)OCF 34a_100009815823_100015361967 [0,2,0,0,0,0|0,0,0]=2 3881 B14R1.471 CNCc1cccc(c1)[C@@H](O)CNC 26a_100102657272_100009815823 [0,2,0,0,0,0|1,0,0]=3 3882 B14R1.617 C=C(C)c1cccc(c1)C(O)CNC 271570a_100000694244_200000733937 [0,2,0,0,0,0|1,0,0]=3 3883 B14R1.617 CNCC(O)c1cccc(c1)[N+](=O)[O-] 2230a_100025716288_200000210301 [0,2,0,0,0,0|0,0,1]=3 3884 B14R1.617 [13CH3]NCC(O)c1cccc(c1)[N+](=O)[O-] 2230a_100025716288_200025704644 [0,2,0,0,0,0|0,0,1]=3 3885 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 34a_100102657272_100010262812 [0,2,0,0,0,0|0,0,2]=4 3886 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 7a_106832991635_100010262812 [0,2,0,0,0,0|0,0,2]=4 3887 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 2230a_106832991635_200010710740 [0,2,0,0,0,0|0,0,2]=4 3888 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 34a_100102657272_200010710740 [0,2,0,0,0,0|0,0,2]=4 3889 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 2230a_106832991635_200012348595 [0,2,0,0,0,0|0,0,2]=4 3890 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 34a_100102657272_200012348595 [0,2,0,0,0,0|0,0,2]=4 3891 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 7a_106832991635_200012348595 [0,2,0,0,0,0|0,0,2]=4 3892 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [0,2,0,0,0,0|0,0,2]=4 3893 B14R1.626 COC[C@@H](N)c1ccc(c(c1)OC)F 34a_100138412295_200000210301 [0,2,0,0,0,0|2,0,0]=4 3894 B14R1.626 COc1cc(ccc1F)[C@H](N)CO[13CH3] 34a_100138412295_200025704644 [0,2,0,0,0,0|2,0,0]=4 3895 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [1,0,0,1,0,0|2,0,0]=4 3896 B12R2.22 CN1CC(C1)c2ccncc2 269982a_100015185986_200000210301 [1,0,0,1,0,0|2,0,0]=4 3897 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [1,0,0,1,0,0|2,0,0]=4 3898 B12R2.22 [13CH3]N1CC(C1)c2ccncc2 269982a_100015185986_200025704644 [1,0,0,1,0,0|2,0,0]=4 3899 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 3900 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 3901 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 3902 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 3903 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 3904 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 3905 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 3906 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 3907 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [1,0,0,1,0,0|1,0,1]=4 3908 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [1,0,0,1,0,0|1,0,0]=3 3909 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [1,0,0,1,0,0|0,0,2]=4 3910 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [1,0,0,1,0,0|0,0,2]=4 3911 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [1,0,0,1,0,0|0,0,0]=2 3912 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [1,0,0,1,0,0|1,0,0]=3 3913 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [1,0,0,1,0,0|2,0,0]=4 3914 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [1,0,0,1,0,0|0,0,2]=4 3915 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [1,0,0,1,0,0|0,0,2]=4 3916 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [1,0,0,1,0,0|0,0,0]=2 3917 B12R2.196 Oc1ccnc2c1CCC2O 271570a_203496583355_100009868430 [1,0,0,1,0,0|1,0,0]=3 3918 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [1,0,0,1,0,0|1,0,1]=4 3919 B12R2.1282 NC1(CC1)c2cccc(c2)O 271570a_203496583355_100000759329 [1,0,0,1,0,0|1,0,0]=3 3920 B12R2.1282 NC1(CC1)c2cncc(c2)O 271570a_203496583355_200025708055 [1,0,0,1,0,0|2,0,0]=4 3921 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [1,0,0,1,0,0|1,0,0]=3 3922 B12R2.24 Oc1ccc2c(c1)CCCN2 271570a_203496583355_100016994925 [1,0,0,1,0,0|2,0,0]=4 3923 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [1,0,0,1,0,0|2,0,0]=4 3924 B12R2.24 Oc1ccc2c(c1)CCNC2 271570a_203496583355_100000686056 [1,0,0,1,0,0|0,0,0]=2 3925 B12R2.24 Oc1ccc2c(c1)CNCC2 271570a_203496583355_100015189961 [1,0,0,1,0,0|2,0,0]=4 3926 B12R2.24 Oc1ccc2c(c1)COCC2 271570a_203496583355_100010128096 [1,0,0,1,0,0|2,0,0]=4 3927 B12R2.24 Oc1ccc2c(c1)NCCC2 271570a_203496583355_100010196366 [1,0,0,1,0,0|2,0,0]=4 3928 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [1,0,0,1,0,0|2,0,0]=4 3929 B12R2.24 Oc1ccc2c(n1)CCCC2 271570a_203496583355_100000046135 [1,0,0,1,0,0|2,0,0]=4 3930 B12R2.24 Oc1ccc2c(n1)CCNC2 271570a_203496583355_100015190003 [1,0,0,1,0,0|1,0,0]=3 3931 B12R2.24 Oc1cnc2c(c1)CCCC2 271570a_203496583355_100010236098 [1,0,0,1,0,0|2,0,0]=4 3932 B12R2.24 Oc1ncc2c(n1)CCNC2 271570a_203496583355_100020629273 [1,0,0,1,0,0|2,0,0]=4 3933 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [1,0,0,1,0,0|0,0,2]=4 3934 B12R2.203 Cn1cnc2c1c(ccc2)O 271570a_203496583355_100010749505 [1,0,0,1,0,0|1,0,1]=4 3935 B12R2.203 Cn1ncc2c1c(ccc2)O 271570a_203496583355_100009817178 [1,0,0,1,0,0|1,0,1]=4 3936 B12R2.203 NC1CCc2c1c(ccc2)O 271570a_203496583355_100103168669 [1,0,0,1,0,0|2,0,0]=4 3937 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [1,0,0,1,0,0|2,0,0]=4 3938 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [1,0,0,1,0,0|0,0,0]=2 3939 B12R2.612 CN1CCc2c1ncc(c2)O 271570a_203496583355_200010383199 [1,0,0,1,0,0|1,0,0]=3 3940 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [1,0,0,1,0,0|0,0,2]=4 3941 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [1,0,0,1,0,0|1,0,1]=4 3942 B12R2.612 Cn1ncc2c1ccc(c2)O 271570a_203496583355_100009817176 [1,0,0,1,0,0|1,0,1]=4 3943 B12R2.612 Cn1nnc2c1ccc(c2)O 271570a_203496583355_100000724718 [1,0,0,1,0,0|2,0,0]=4 3944 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [1,0,0,1,0,0|2,0,0]=4 3945 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [1,0,0,1,0,0|2,0,0]=4 3946 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [1,0,0,1,0,0|2,0,0]=4 3947 B12R2.1286 Oc1cccc(c1)NC2CC2 34a_100000210217_100000211595 [1,0,0,1,0,0|2,0,0]=4 3948 B12R2.1286 Oc1cccc(c1)OC2CC2 271570a_203496583355_100012344912 [1,0,0,1,0,0|2,0,0]=4 3949 B12R2.1286 Oc1cccc(c1)SC2CC2 271570a_203496583355_200010157562 [1,0,0,1,0,0|2,0,0]=4 3950 B14R2.106 CNCc1cc2cc(ccc2o1)Br 207a_100102657272_100000755920 [0,0,0,1,0,1|1,0,1]=4 3951 B14R2.106 CNCc1cc2cc(ccc2o1)Br 270004a_106832991635_100000755920 [0,0,0,1,0,1|1,0,1]=4 3952 B14R2.106 CNCc1cc2cc(ccc2o1)Cl 207a_100102657272_100012003054 [0,0,0,1,0,1|1,0,1]=4 3953 B14R2.106 CNCc1cc2cc(ccc2o1)Cl 270004a_106832991635_100012003054 [0,0,0,1,0,1|1,0,1]=4 3954 B14R2.106 CNCc1nc2cc(ccc2o1)Br 2230a_106832991635_100000730559 [0,0,0,1,0,1|1,0,1]=4 3955 B14R2.106 CNCc1nc2cc(ccc2o1)Br 34a_100102657272_100000730559 [0,0,0,1,0,1|1,0,1]=4 3956 B14R2.106 CNCc1nc2cc(ccc2o1)Br 7a_106832991635_100000730559 [0,0,0,1,0,1|1,0,1]=4 3957 B14R2.106 CNCc1nc2cc(ccc2o1)C 2230a_106832991635_100011374149 [0,0,0,1,0,1|1,0,1]=4 3958 B14R2.106 CNCc1nc2cc(ccc2o1)C 34a_100102657272_100011374149 [0,0,0,1,0,1|1,0,1]=4 3959 B14R2.106 CNCc1nc2cc(ccc2o1)C 7a_106832991635_100011374149 [0,0,0,1,0,1|1,0,1]=4 3960 B14R2.106 CNCc1nc2cc(ccc2o1)Cl 2230a_106832991635_100011222916 [0,0,0,1,0,1|1,0,1]=4 3961 B14R2.106 CNCc1nc2cc(ccc2o1)Cl 7a_106832991635_100011222916 [0,0,0,1,0,1|1,0,1]=4 3962 B14R2.106 CNCc1nc2cc(ccc2o1)F 2230a_106832991635_100000687093 [0,0,0,1,0,1|1,0,1]=4 3963 B14R2.106 CNCc1nc2cc(ccc2o1)F 34a_100102657272_100000687093 [0,0,0,1,0,1|1,0,1]=4 3964 B14R2.106 CNCc1nc2cc(ccc2o1)F 7a_106832991635_100000687093 [0,0,0,1,0,1|1,0,1]=4 3965 B14R2.106 COCc1nc2cc(ccc2o1)O 271570a_203496583355_100009817046 [0,0,0,1,0,1|1,0,1]=4 3966 B14R2.111 COCC1Cc2cccc(c2O1)Br 34a_200102525175_200000210301 [0,0,0,1,0,1|2,0,0]=4 3967 B14R2.111 COCC1Cc2cccc(c2O1)Br 7a_200102525175_200000210301 [0,0,0,1,0,1|2,0,0]=4 3968 B14R2.111 [13CH3]OCC1Cc2cccc(c2O1)Br 34a_200102525175_200025704644 [0,0,0,1,0,1|2,0,0]=4 3969 B14R2.111 [13CH3]OCC1Cc2cccc(c2O1)Br 7a_200102525175_200025704644 [0,0,0,1,0,1|2,0,0]=4 3970 B14R2.716 Oc1cccc(c1)NC2CCCC2 34a_100000210217_100000179811 [0,0,0,1,0,1|2,0,0]=4 3971 B14R2.716 Oc1cccc(c1)NC2CCOC2 34a_100000210217_100000690089 [0,0,0,1,0,1|2,0,0]=4 3972 B14R2.716 Oc1cccc(c1)SC2CCCC2 62a_100011217020_100000211634 [0,0,0,1,0,1|2,0,0]=4 3973 B14R2.4217 CNC1c2ccc(cc2CC1C)Br 269862a_106832991636_100010169280 [0,0,0,1,0,1|2,0,0]=4 3974 B14R2.4217 CNC1c2ccc(cc2CC1C)Cl 269862a_106832991636_100009864968 [0,0,0,1,0,1|2,0,0]=4 3975 B14R2.4217 CNC1c2ccc(cc2CC1C)F 269862a_106832991636_200000086881 [0,0,0,1,0,1|2,0,0]=4 3976 B14R2.9057 CN1CC(C1)Oc2cccc(c2)F 269982a_200015183374_200000210301 [0,0,0,1,0,1|2,0,0]=4 3977 B14R2.9057 CN1CC(C1)Oc2cccc(c2)F 34a_200015183374_200000210301 [0,0,0,1,0,1|2,0,0]=4 3978 B14R2.9057 Cc1cccc(c1)OC2CN(C2)C 269982a_100015184460_200000210301 [0,0,0,1,0,1|2,0,0]=4 3979 B14R2.9057 Cc1cccc(c1)OC2CN(C2)C 34a_100015184460_200000210301 [0,0,0,1,0,1|2,0,0]=4 3980 B14R2.9057 Cc1cccc(c1)OC2CN(C2)[13CH3] 269982a_100015184460_200025704644 [0,0,0,1,0,1|2,0,0]=4 3981 B14R2.9057 Cc1cccc(c1)OC2CN(C2)[13CH3] 34a_100015184460_200025704644 [0,0,0,1,0,1|2,0,0]=4 3982 B14R2.9057 [13CH3]N1CC(C1)Oc2cccc(c2)F 269982a_200015183374_200025704644 [0,0,0,1,0,1|2,0,0]=4 3983 B14R2.9057 [13CH3]N1CC(C1)Oc2cccc(c2)F 34a_200015183374_200025704644 [0,0,0,1,0,1|2,0,0]=4 3984 B14R2.21 Oc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000211634 [0,1,0,1,0,0|1,0,1]=4 3985 B14R2.21 Oc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000211634 [0,1,0,1,0,0|1,0,1]=4 3986 B14R2.21 Oc1cccc(c1)C2=COCCC2 271570a_100010175576_100000211634 [0,1,0,1,0,0|1,0,1]=4 3987 B14R2.21 Oc1cccc(c1)C2CCNCC2 271570a_203496583355_100000726733 [0,1,0,1,0,0|1,0,0]=3 3988 B14R2.21 Oc1cccc(c1)C2OCCCO2 271570a_203496583355_100000752065 [0,1,0,1,0,0|1,0,0]=3 3989 B14R2.21 Oc1cccc(c1)N2CCNCC2 271570a_203496583355_100000729370 [0,1,0,1,0,0|2,0,0]=4 3990 B14R2.824 CNCC1(CC1)c2cccc(c2)F 2230a_200000759026_200000210301 [0,1,0,1,0,0|2,0,0]=4 3991 B14R2.824 CNCC1(CC1)c2cccc(c2)F 34a_200000759026_200000210301 [0,1,0,1,0,0|2,0,0]=4 3992 B14R2.824 [13CH3]NCC1(CC1)c2cccc(c2)F 2230a_200000759026_200025704644 [0,1,0,1,0,0|2,0,0]=4 3993 B14R2.824 [13CH3]NCC1(CC1)c2cccc(c2)F 34a_200000759026_200025704644 [0,1,0,1,0,0|2,0,0]=4 3994 B14R2.1078 C=Cc1cccc2c1CCCC2O 271570a_100011290941_100009815610 [0,1,0,1,0,0|2,0,0]=4 3995 B14R2.1078 CNC1CCCc2c1cccc2O 269862a_106832991636_100000763485 [0,1,0,1,0,0|2,0,0]=4 3996 B14R2.1078 COC1CCCc2c1cccc2Br 34a_100009815610_200000210301 [0,1,0,1,0,0|2,0,0]=4 3997 B14R2.1078 COC1CCCc2c1cccc2Br 7a_100009815610_200000210301 [0,1,0,1,0,0|2,0,0]=4 3998 B14R2.1078 COc1cccc2c1CCCC2O 7a_100000212338_200000210301 [0,1,0,1,0,0|1,0,0]=3 3999 B14R2.1078 CSc1cccc2c1CCCC2O 62a_100009815610_200000210301 [0,1,0,1,0,0|1,1,0]=4 4000 B14R2.1078 CSc1cccc2c1CCCC2O 62a_200000210301_100009815610 [0,1,0,1,0,0|1,1,0]=4 4001 B14R2.1078 [13CH3]OC1CCCc2c1cccc2Br 34a_100009815610_200025704644 [0,1,0,1,0,0|2,0,0]=4 4002 B14R2.1078 [13CH3]OC1CCCc2c1cccc2Br 7a_100009815610_200025704644 [0,1,0,1,0,0|2,0,0]=4 4003 B14R2.1078 [13CH3]Oc1cccc2c1CCCC2O 7a_100000212338_200025704644 [0,1,0,1,0,0|1,0,0]=3 4004 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2O 62a_100009815610_200025704644 [0,1,0,1,0,0|1,1,0]=4 4005 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2O 62a_200025704644_100009815610 [0,1,0,1,0,0|1,1,0]=4 4006 B14R2.2971 COC1(CCC1)c2cccc(c2)Br 34a_200010765678_200000210301 [0,1,0,1,0,0|2,0,0]=4 4007 B14R2.2971 COC1(CCC1)c2cccc(c2)Br 7a_200010765678_200000210301 [0,1,0,1,0,0|2,0,0]=4 4008 B14R2.2971 N#CC1(CCC1)c2cccc(c2)O 271570a_203496583355_100011271463 [0,1,0,1,0,0|2,0,0]=4 4009 B14R2.2971 NCC1(CCC1)c2cccc(c2)O 271570a_203496583355_200000743689 [0,1,0,1,0,0|2,0,0]=4 4010 B14R2.2971 [13CH3]OC1(CCC1)c2cccc(c2)Br 34a_200010765678_200025704644 [0,1,0,1,0,0|2,0,0]=4 4011 B14R2.2971 [13CH3]OC1(CCC1)c2cccc(c2)Br 7a_200010765678_200025704644 [0,1,0,1,0,0|2,0,0]=4 4012 B14R2.11684 COC1CCCc2c1cc(cc2)Br 34a_100011660633_200000210301 [0,1,0,1,0,0|2,0,0]=4 4013 B14R2.11684 COC1CCCc2c1cc(cc2)Br 7a_100011660633_200000210301 [0,1,0,1,0,0|2,0,0]=4 4014 B14R2.11684 COC1CCCc2c1cc(cc2)N 34a_100009883350_200000210301 [0,1,0,1,0,0|2,0,0]=4 4015 B14R2.11684 [13CH3]OC1CCCc2c1cc(cc2)Br 34a_100011660633_200025704644 [0,1,0,1,0,0|2,0,0]=4 4016 B14R2.11684 [13CH3]OC1CCCc2c1cc(cc2)Br 7a_100011660633_200025704644 [0,1,0,1,0,0|2,0,0]=4 4017 B14R2.11684 [13CH3]OC1CCCc2c1cc(cc2)N 34a_100009883350_200025704644 [0,1,0,1,0,0|2,0,0]=4 4018 B14R2.4471 CC1(OCCO1)c2cccc(c2)O 271570a_203496583355_200010209287 [0,1,0,1,0,0|2,0,0]=4 4019 B14R2.4471 NC1(CCCC1)c2cccc(c2)O 271570a_203496583355_200011271485 [0,1,0,1,0,0|2,0,0]=4 4020 B14R2.4471 Oc1cccc(c1)C2(CCCC2)O 271570a_203496583355_100010765679 [0,1,0,1,0,0|1,0,0]=3 4021 B14R2.9036 CC(NC1CC1)c2cccc(c2)O 271570a_203496583355_100160470767 [0,1,0,1,0,0|2,0,0]=4 4022 B14R2.8235 CC1CN(Cc2c1cc(cc2)Cl)C 2230a_100009840616_200000210301 [0,1,0,1,0,0|2,0,0]=4 4023 B14R2.8235 CC1CN(Cc2c1cc(cc2)Cl)C 269982a_100009840616_200000210301 [0,1,0,1,0,0|2,0,0]=4 4024 B14R2.8235 CC1CN(Cc2c1cc(cc2)Cl)C 34a_100009840616_200000210301 [0,1,0,1,0,0|2,0,0]=4 4025 B14R2.8235 CC1CN(Cc2c1cc(cc2)Cl)[13CH3] 2230a_100009840616_200025704644 [0,1,0,1,0,0|2,0,0]=4 4026 B14R2.8235 CC1CN(Cc2c1cc(cc2)Cl)[13CH3] 269982a_100009840616_200025704644 [0,1,0,1,0,0|2,0,0]=4 4027 B14R2.8235 CC1CN(Cc2c1cc(cc2)Cl)[13CH3] 34a_100009840616_200025704644 [0,1,0,1,0,0|2,0,0]=4 4028 B14R2.306 Oc1ccc(c(c1)C2OCCO2)F 271570a_203496583355_200000049964 [0,1,0,1,0,0|2,0,0]=4 4029 B14R2.30096 N[C@@H](c1cc(ccc1F)O)C2CC2 271570a_203496583355_100015929066 [0,1,0,1,0,0|2,0,0]=4 4030 B14R2.249 Oc1cc(cc(c1)C2OCCO2)F 271570a_203496583355_200010245098 [0,1,0,1,0,0|2,0,0]=4 4031 B14R2.142 C=Cc1ccc2c(c1)C(CCC2)O 271570a_100011290941_100011660633 [0,1,0,1,0,0|2,0,0]=4 4032 B14R2.142 CSc1ccc2c(c1)C(CCC2)O 62a_100011660633_200000210301 [0,1,0,1,0,0|1,1,0]=4 4033 B14R2.142 CSc1ccc2c(c1)C(CCC2)O 62a_200000210301_100011660633 [0,1,0,1,0,0|1,1,0]=4 4034 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCC2)O 62a_100011660633_200025704644 [0,1,0,1,0,0|1,1,0]=4 4035 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCC2)O 62a_200025704644_100011660633 [0,1,0,1,0,0|1,1,0]=4 4036 B14R2.1812 COc1ccc2c(c1)c(nn2C)O 271570a_203496583355_100010988832 [0,1,0,1,0,0|1,0,1]=4 4037 B14R2.3262 C=Cc1cccc(c1)C2(CCC2)O 271570a_100011290941_200010765678 [0,1,0,1,0,0|2,0,0]=4 4038 B14R2.3262 CSc1cccc(c1)C2(CCC2)O 62a_200000210301_200010765678 [0,1,0,1,0,0|1,1,0]=4 4039 B14R2.3262 CSc1cccc(c1)C2(CCC2)O 62a_200010765678_200000210301 [0,1,0,1,0,0|1,1,0]=4 4040 B14R2.3262 [13CH3]Sc1cccc(c1)C2(CCC2)O 62a_200010765678_200025704644 [0,1,0,1,0,0|1,1,0]=4 4041 B14R2.3262 [13CH3]Sc1cccc(c1)C2(CCC2)O 62a_200025704644_200010765678 [0,1,0,1,0,0|1,1,0]=4 4042 B14R2.70 Oc1cc(ccc1F)C2OCCO2 271570a_203496583355_100010165081 [0,1,0,1,0,0|2,0,0]=4 4043 B14R2.4272 CN[C@@H]1C[C@H]1c2ccc(c(c2)F)F 2230a_200009817314_200000210301 [0,1,0,1,0,0|2,0,0]=4 4044 B14R2.4272 CN[C@@H]1C[C@H]1c2ccc(c(c2)F)F 34a_200009817314_200000210301 [0,1,0,1,0,0|2,0,0]=4 4045 B14R2.4272 [13CH3]N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 2230a_200009817314_200025704644 [0,1,0,1,0,0|2,0,0]=4 4046 B14R2.4272 [13CH3]N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 34a_200009817314_200025704644 [0,1,0,1,0,0|2,0,0]=4 4047 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,0,0,0,1,0|1,0,0]=3 4048 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [1,0,0,0,1,0|1,0,0]=3 4049 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [1,0,0,0,1,0|1,0,0]=3 4050 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,0,0,0,1,0|1,0,0]=3 4051 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [1,0,0,0,1,0|1,0,0]=3 4052 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [1,0,0,0,1,0|1,0,0]=3 4053 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [1,0,0,0,1,0|2,0,0]=4 4054 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [1,0,0,0,1,0|2,0,0]=4 4055 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [1,0,0,0,1,0|2,0,0]=4 4056 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [1,0,0,0,1,0|2,0,0]=4 4057 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [1,0,0,0,1,0|2,0,0]=4 4058 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [1,0,0,0,1,0|2,0,0]=4 4059 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [1,0,0,0,1,0|2,0,0]=4 4060 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [1,0,0,0,1,0|2,0,0]=4 4061 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [1,0,0,0,1,0|2,0,0]=4 4062 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [1,0,0,0,1,0|2,0,0]=4 4063 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [1,0,0,0,1,0|2,0,0]=4 4064 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [1,0,0,0,0,1|1,0,0]=3 4065 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [1,0,0,0,0,1|1,0,0]=3 4066 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [1,0,0,0,0,1|2,0,0]=4 4067 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,0,0,0,0,1|2,0,0]=4 4068 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,0,0,0,0,1|2,0,0]=4 4069 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [1,0,0,0,0,1|2,0,0]=4 4070 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [1,0,0,0,0,1|2,0,0]=4 4071 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [1,0,0,0,0,1|2,0,0]=4 4072 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [1,0,0,0,0,1|2,0,0]=4 4073 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [1,0,0,0,0,1|2,0,0]=4 4074 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [1,0,0,0,0,1|2,0,0]=4 4075 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [1,0,0,0,0,1|2,0,0]=4 4076 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [1,0,0,0,0,1|0,0,2]=4 4077 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [1,0,0,0,0,1|0,0,2]=4 4078 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [1,0,0,0,0,1|0,0,2]=4 4079 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [1,0,0,0,0,1|0,0,2]=4 4080 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [1,0,0,0,0,1|0,0,2]=4 4081 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [1,0,0,0,0,1|0,0,2]=4 4082 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [1,0,0,0,0,1|0,0,2]=4 4083 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [1,0,0,0,0,1|0,0,2]=4 4084 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [1,0,0,0,0,1|1,0,0]=3 4085 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [1,0,0,0,0,1|1,0,0]=3 4086 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [1,0,0,0,0,1|2,0,0]=4 4087 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [1,0,0,0,0,1|0,0,0]=2 4088 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [1,0,0,0,0,1|0,0,0]=2 4089 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [1,0,0,0,0,1|0,0,0]=2 4090 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [1,0,0,0,0,1|0,0,0]=2 4091 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,0,0,0,0,1|2,0,0]=4 4092 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,0,0,0,0,1|2,0,0]=4 4093 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [1,0,0,0,0,1|2,0,0]=4 4094 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [1,0,0,0,0,1|2,0,0]=4 4095 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [1,0,0,0,0,1|2,0,0]=4 4096 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [1,0,0,0,0,1|2,0,0]=4 4097 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [1,0,0,0,0,1|2,0,0]=4 4098 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [1,0,0,0,0,1|2,0,0]=4 4099 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [1,0,0,0,0,1|2,0,0]=4 4100 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,0,0,0,0,1|2,0,0]=4 4101 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,0,0,0,0,1|1,0,0]=3 4102 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [1,0,0,0,0,1|1,0,0]=3 4103 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [1,0,0,0,0,1|1,0,0]=3 4104 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [1,0,0,0,0,1|0,0,0]=2 4105 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,0,0,0,0,1|2,0,0]=4 4106 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [1,0,0,0,0,1|1,0,0]=3 4107 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [1,0,0,0,0,1|1,0,0]=3 4108 B14R1.32 CCCC(C)CNc1cccc(c1)O 34a_100000210217_100011216630 [0,0,0,0,0,2|2,0,0]=4 4109 B14R1.32 CCCC(C)CSc1cccc(c1)O 62a_100011216630_100000211634 [0,0,0,0,0,2|2,0,0]=4 4110 B14R1.32 CCCC(C)NCc1cccc(c1)O 207a_100000741246_100000188321 [0,0,0,0,0,2|2,0,0]=4 4111 B14R1.32 CCCC(C)NCc1cccc(c1)O 2230a_100000741246_100011660834 [0,0,0,0,0,2|2,0,0]=4 4112 B14R1.32 CCCC(C)NCc1cccc(c1)O 2230a_100000743036_100000766640 [0,0,0,0,0,2|2,0,0]=4 4113 B14R1.32 CCCC(C)NCc1cccc(c1)O 270004a_100000741246_100000188321 [0,0,0,0,0,2|2,0,0]=4 4114 B14R1.32 CCCC(C)NCc1cccc(c1)O 270004a_100000743036_100000211909 [0,0,0,0,0,2|2,0,0]=4 4115 B14R1.32 CCCC(C)NCc1cccc(c1)O 34a_100000743036_100000766640 [0,0,0,0,0,2|2,0,0]=4 4116 B14R1.32 CCCC(C)OCc1cccc(c1)O 34a_100000764384_100011660834 [0,0,0,0,0,2|2,0,0]=4 4117 B14R1.32 CCCC(C)OCc1cccc(c1)O 7a_100000764384_100000084143 [0,0,0,0,0,2|2,0,0]=4 4118 B14R1.32 CCCC(C)SCc1cccc(c1)O 62a_100000766640_100011660834 [0,0,0,0,0,2|2,0,0]=4 4119 B14R1.32 CCCC(C)SCc1cccc(c1)O 62a_100011660834_100000766640 [0,0,0,0,0,2|2,0,0]=4 4120 B14R1.32 COCC(C)NCc1cccc(c1)O 2230a_100000743036_100000765312 [0,0,0,0,0,2|2,0,0]=4 4121 B14R1.32 COCC(C)NCc1cccc(c1)O 270004a_100000743036_100000749346 [0,0,0,0,0,2|2,0,0]=4 4122 B14R1.32 COCC(C)NCc1cccc(c1)O 34a_100000743036_100000765312 [0,0,0,0,0,2|2,0,0]=4 4123 B14R1.32 COCC(C)SCc1cccc(c1)O 62a_100000765312_100011660834 [0,0,0,0,0,2|2,0,0]=4 4124 B14R1.32 COCC(C)SCc1cccc(c1)O 62a_100011660834_100000765312 [0,0,0,0,0,2|2,0,0]=4 4125 B14R1.32 COCC(O)CNc1cccc(c1)Br 34a_100000210019_100011215053 [0,0,0,0,0,2|2,0,0]=4 4126 B14R1.32 COCC(O)CNc1cccc(c1)C 34a_100000188690_100011215053 [0,0,0,0,0,2|2,0,0]=4 4127 B14R1.32 COCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011215053 [0,0,0,0,0,2|2,0,0]=4 4128 B14R1.32 COCC(O)CNc1cccc(c1)F 34a_100000210047_100011215053 [0,0,0,0,0,2|2,0,0]=4 4129 B14R1.32 COCC(O)CNc1cccc(c1)I 34a_100000211102_100011215053 [0,0,0,0,0,2|2,0,0]=4 4130 B14R1.32 COCC(O)CNc1cccc(c1)O 34a_100000210217_100011215053 [0,0,0,0,0,2|1,0,0]=3 4131 B14R1.32 COCC(O)COc1cccc(c1)Br 34a_100000210342_100011215053 [0,0,0,0,0,2|2,0,0]=4 4132 B14R1.32 COCC(O)COc1cccc(c1)Br 7a_100000210342_100011215053 [0,0,0,0,0,2|2,0,0]=4 4133 B14R1.32 COCC(O)COc1cccc(c1)C 34a_100000210337_100011215053 [0,0,0,0,0,2|2,0,0]=4 4134 B14R1.32 COCC(O)COc1cccc(c1)C 7a_100000210337_100011215053 [0,0,0,0,0,2|2,0,0]=4 4135 B14R1.32 COCC(O)COc1cccc(c1)Cl 34a_100000210295_100011215053 [0,0,0,0,0,2|2,0,0]=4 4136 B14R1.32 COCC(O)COc1cccc(c1)Cl 7a_100000210295_100011215053 [0,0,0,0,0,2|2,0,0]=4 4137 B14R1.32 COCC(O)COc1cccc(c1)F 34a_100000210426_100011215053 [0,0,0,0,0,2|2,0,0]=4 4138 B14R1.32 COCC(O)COc1cccc(c1)F 7a_100000210426_100011215053 [0,0,0,0,0,2|2,0,0]=4 4139 B14R1.32 COCC(O)COc1cccc(c1)I 34a_100000211634_100011215053 [0,0,0,0,0,2|2,0,0]=4 4140 B14R1.32 COCC(O)COc1cccc(c1)I 7a_100000211634_100011215053 [0,0,0,0,0,2|2,0,0]=4 4141 B14R1.32 COCC(O)COc1cccc(c1)N 34a_100000210217_100011215053 [0,0,0,0,0,2|2,0,0]=4 4142 B14R1.32 COCC(O)CSc1cc(ccn1)O 62a_100011215053_100000762945 [0,0,0,0,0,2|2,0,0]=4 4143 B14R1.32 COCC(O)CSc1cccc(c1)Br 62a_100000691529_100011215053 [0,0,0,0,0,2|2,0,0]=4 4144 B14R1.32 COCC(O)CSc1cccc(c1)Br 62a_100011215053_100000691529 [0,0,0,0,0,2|2,0,0]=4 4145 B14R1.32 COCC(O)CSc1cccc(c1)C 62a_100011215053_100011215228 [0,0,0,0,0,2|2,0,0]=4 4146 B14R1.32 COCC(O)CSc1cccc(c1)C 62a_100011215228_100011215053 [0,0,0,0,0,2|2,0,0]=4 4147 B14R1.32 COCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011215053 [0,0,0,0,0,2|2,0,0]=4 4148 B14R1.32 COCC(O)CSc1cccc(c1)Cl 62a_100011215053_100000699651 [0,0,0,0,0,2|2,0,0]=4 4149 B14R1.32 COCC(O)CSc1cccc(c1)F 62a_100000685547_100011215053 [0,0,0,0,0,2|2,0,0]=4 4150 B14R1.32 COCC(O)CSc1cccc(c1)F 62a_100011215053_100000685547 [0,0,0,0,0,2|2,0,0]=4 4151 B14R1.32 COCC(O)CSc1cccc(c1)N 62a_100000210019_100011215053 [0,0,0,0,0,2|2,0,0]=4 4152 B14R1.32 COCC(O)CSc1cccc(c1)N 62a_100011215053_100000210019 [0,0,0,0,0,2|2,0,0]=4 4153 B14R1.32 COCC(O)CSc1cccc(c1)O 62a_100011215053_100000211634 [0,0,0,0,0,2|1,0,0]=3 4154 B14R1.32 COCC(O)CSc1cccc(c1)[S] 62a_100011215053_114929384022 [0,0,0,0,0,2|1,1,0]=4 4155 B14R1.32 COCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011215053 [0,0,0,0,0,2|1,1,0]=4 4156 B14R1.32 COCC(O)CSc1cncc(c1)O 62a_100000754920_100011215053 [0,0,0,0,0,2|2,0,0]=4 4157 B14R1.32 COCC(O)CSc1cncc(c1)O 62a_100011215053_100000754920 [0,0,0,0,0,2|2,0,0]=4 4158 B14R1.32 COC[C@@H](C)NCc1cccc(c1)O 207a_100000764878_100000188321 [0,0,0,0,0,2|2,0,0]=4 4159 B14R1.32 COC[C@@H](C)NCc1cccc(c1)O 2230a_100000764878_100011660834 [0,0,0,0,0,2|2,0,0]=4 4160 B14R1.32 COC[C@@H](C)NCc1cccc(c1)O 270004a_100000764878_100000188321 [0,0,0,0,0,2|2,0,0]=4 4161 B14R1.32 COC[C@@H](C)OCc1cccc(c1)O 34a_100011934205_100011660834 [0,0,0,0,0,2|2,0,0]=4 4162 B14R1.32 CSCC(C)NCc1cccc(c1)O 270004a_100000743036_100011216314 [0,0,0,0,0,2|2,0,0]=4 4163 B14R1.32 N#CC[C@H](O)CSc1cccc(c1)O 62a_100000001066_100000211634 [0,0,0,0,0,2|2,0,0]=4