0 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.34 C#CC(C)N(C)c1ccccc1 34a_100000210012_200000035995 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.34 CC(C#N)N(C)c1ccccc1 2230a_100000210012_100000184139 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.34 CC(C#N)N(C)c1ccccc1 269982a_100000210012_100000703298 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.34 CC(C#N)N(C)c1ccccc1 34a_100000762819_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.34 CC(C#N)N([13CH3])c1ccccc1 34a_100000762819_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,0,0,0,0,0|1,0,2]=3 12 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,0,0,0,0,0|1,0,2]=3 19 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [0,0,0,0,0,0|2,0,2]=4 24 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [0,0,0,0,0,0|2,0,2]=4 25 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [0,0,0,0,0,0|2,0,2]=4 26 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.34 CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210202 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.34 CCN(C)C(C)c1ccccn1 269982a_100000231138_100000204670 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.34 CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210202 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.34 CCN(C)C(C)c1cccnc1 269982a_100000232774_100000204670 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.34 CCN(C)C(C)c1ccncc1 2230a_100000231139_100000210202 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.34 CCN(C)C(C)c1ccncc1 269982a_100000231139_100000204670 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,0,0,0,0,0|2,0,1]=3 41 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,0,0,0,0,0|2,0,1]=3 43 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,0,0,0,0,0|2,0,1]=3 44 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,0,0,0,0,0|2,0,1]=3 46 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,0,0,0,0,0|2,0,1]=3 47 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,0,0,0,0,0|2,0,1]=3 48 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,0,0,0,0,0|2,0,1]=3 49 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,0,0,0,0,0|1,0,1]=2 50 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,0,0,0,0,0|0,0,2]=2 51 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,0,0,0,0,0|0,0,2]=2 52 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,0,0,0,0,0|3,0,0]=3 53 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,0,0,0,0,0|2,0,0]=2 54 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,0,0,0,0,0|1,0,2]=3 55 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,0,0,0,0,0|1,0,2]=3 56 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,0,0,0,0,0|2,0,0]=2 58 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,0,0,0,0,0|1,0,2]=4 66 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,0,0,0,0,0|0,0,2]=3 84 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,0,0,0,0,0|1,0,2]=4 86 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,0,0,0,0,0|1,0,2]=4 87 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,0,0,0,0,0|1,0,0]=2 88 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,0,0,0,0,0|1,0,0]=2 89 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,0,0,0,0,0|1,0,0]=2 90 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,0,0,0,0,0|1,0,0]=2 91 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,0,0,0,0,0|1,0,0]=2 92 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,0,0,0,0,0|1,0,0]=2 93 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,0,0,0,0,0|0,0,0]=1 94 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,0,0,0,0,0|0,0,0]=1 95 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,0,0,0,0,0|0,0,0]=1 96 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,0,0,0,0,0|0,0,0]=1 97 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,0,0,0,0,0|1,0,0]=2 98 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,0,0,0,0,0|1,0,0]=2 99 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,0,0,0,0,0|0,0,0]=1 100 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,0,0,0,0,0|0,0,0]=1 101 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,0,0,0,0,0|0,0,0]=1 102 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,0,0,0,0,0|1,0,2]=4 103 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,0,0,0,0|1,0,0]=2 107 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,0,0,0,0|1,0,0]=2 112 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,0,0,0,0,0|1,0,2]=4 113 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,0,0,0,0,0|1,0,2]=4 114 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,0,0,0,0,0|1,0,0]=2 117 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,0,0,0,0,0|1,0,0]=2 118 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 120 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 121 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,0,0,0,0,0|1,0,0]=2 123 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,0,0,0,0,0|1,0,0]=2 124 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,0,0,0,0,0|0,0,0]=1 125 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,0,0,0,0,0|1,0,0]=2 126 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,0,0,0,0,0|1,0,0]=2 127 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,0,0,0,0,0|1,0,2]=4 130 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,0,0,0,0,0|1,0,2]=4 131 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,0,0,0,0,0|1,0,0]=2 132 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,0,0,0,0,0|1,0,0]=2 133 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,0,0,0,0,0|1,0,0]=2 135 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,0,0,0,0,0|1,0,0]=2 136 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,0,0,0,0,0|1,0,2]=4 137 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,0,0,0,0,0|2,0,1]=4 138 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,0,0,0,0,0|2,0,1]=4 139 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,0,0,0,0,0|2,0,1]=4 140 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,0,0,0,0|1,0,1]=3 141 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,0,0,0,0,0|0,0,2]=3 142 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,0,0,0,0,0|2,0,0]=3 144 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,0,0,0,0,0|2,0,0]=3 145 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,0,0,0,0,0|2,0,0]=3 146 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,0,0,0,0,0|2,0,0]=3 152 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,0,0,0,0,0|2,0,0]=3 153 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,0,0,0,0,0|2,0,0]=3 154 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,0,0,0,0,0|2,0,0]=3 155 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,0,0,0,0,0|2,0,0]=3 156 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,0,0,0,0,0|2,0,0]=3 157 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,0,0,0,0,0|2,0,0]=3 158 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,0,0,0,0,0|2,0,0]=3 159 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,0,0,0,0,0|1,0,2]=4 172 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,0,0,0,0,0|1,0,2]=4 173 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,0,0,0,0,0|1,0,2]=4 174 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,0,0,0,0,0|1,0,2]=4 175 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,0,0,0,0,0|2,0,1]=4 177 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,0,0,0,0|1,0,1]=3 178 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [1,0,0,0,0,0|2,0,1]=4 179 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,0,0,0,0,0|2,0,1]=4 180 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [1,0,0,0,0,0|2,0,1]=4 181 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,0,0,0,0,0|2,0,1]=4 182 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,0,0,0,0,0|1,0,0]=2 190 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,0,0,0,0,0|1,0,0]=2 191 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,0,0,0,0,0|1,0,0]=2 192 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,0,0,0,0,0|1,0,0]=2 193 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,0,0,0,0,0|1,0,0]=2 194 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,0,0,0,0,0|1,0,0]=2 195 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [1,0,0,0,0,0|2,0,0]=3 196 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,0,0,0,0,0|2,0,0]=3 198 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [1,0,0,0,0,0|3,0,0]=4 210 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,0,0,0,0,0|2,0,0]=3 212 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,0,0,0,0,0|2,0,0]=3 213 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,0,0,0,0,0|2,0,0]=3 214 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,0,0,0,0,0|2,0,0]=3 215 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,0,0,0,0,0|2,0,0]=3 216 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,0,0,0,0,0|2,0,0]=3 217 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,0,0,0,0,0|2,0,0]=3 236 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,0,0,0,0,0|2,0,0]=3 237 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [1,0,0,0,0,0|3,0,0]=4 238 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [1,0,0,0,0,0|3,0,0]=4 244 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,0,0,0,0,0|2,0,1]=4 246 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,0,0,0,0,0|2,0,1]=4 247 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,0,0,0,0,0|2,0,1]=4 248 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,0,0,0,0,0|2,0,1]=4 249 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,0,0,0,0,0|2,0,1]=4 253 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,0,0,0,0,0|1,0,0]=2 255 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,0,0,0,0,0|0,0,0]=1 256 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,0,0,0,0,0|0,0,0]=1 257 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,0,0,0,0,0|1,0,0]=2 258 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,0,0,0,0,0|1,0,0]=2 259 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,0,0,0,0,0|1,0,0]=2 260 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,0,0,0,0,0|1,0,0]=2 261 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [1,0,0,0,0,0|2,0,0]=3 262 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [1,0,0,0,0,0|2,0,0]=3 263 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,0,0,0,0,0|1,0,0]=2 264 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,0,0,0,0,0|1,0,0]=2 265 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,0,0,0,0,0|1,0,0]=2 266 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,0,0,0,0,0|2,0,0]=3 267 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,0,0,0,0,0|2,0,0]=3 268 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.40 COC(C)Sc1ccncc1 62a_100000728582_100009879195 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.40 COC(C)Sc1ccncc1 62a_100009879195_100000728582 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,0,0,0,0,0|1,0,0]=2 275 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,0,0,0,0,0|1,0,0]=2 276 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,0,0,0,0,0|3,0,0]=4 278 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Br 62a_100000184162_200025704644 [0,1,0,0,0,0|1,0,2]=4 279 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Br 62a_200025704644_100000184162 [0,1,0,0,0,0|1,0,2]=4 280 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Cl 62a_100000183210_200025704644 [0,1,0,0,0,0|1,0,2]=4 281 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Cl 62a_200025704644_100000183210 [0,1,0,0,0,0|1,0,2]=4 282 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)F 62a_100000229918_200025704644 [0,1,0,0,0,0|1,0,2]=4 283 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)F 62a_200025704644_100000229918 [0,1,0,0,0,0|1,0,2]=4 284 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)O 62a_200010205864_200025704644 [0,1,0,0,0,0|1,0,2]=4 285 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)O 62a_200025704644_200010205864 [0,1,0,0,0,0|1,0,2]=4 286 B13R1.21 CCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210202 [0,1,0,0,0,0|2,0,1]=4 287 B13R1.21 CCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210202 [0,1,0,0,0,0|2,0,1]=4 288 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210202 [0,1,0,0,0,0|2,0,1]=4 290 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210202 [0,1,0,0,0,0|2,0,1]=4 291 B13R1.21 CCC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000758301 [0,1,0,0,0,0|1,0,2]=4 292 B13R1.21 CCC(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100000758301 [0,1,0,0,0,0|1,0,2]=4 293 B13R1.21 CCC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000758301 [0,1,0,0,0,0|1,0,2]=4 294 B13R1.21 CCC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000758301 [0,1,0,0,0,0|1,0,2]=4 295 B13R1.21 CCC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000758301 [0,1,0,0,0,0|1,0,2]=4 296 B13R1.21 CCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000758301 [0,1,0,0,0,0|1,0,2]=4 297 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100000758301 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100000758301 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 34a_100000219623_100011215416 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 2230a_100000219977_100000758301 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100000758301 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 34a_100000219977_100011215416 [0,1,0,0,0,0|3,0,0]=4 303 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000758301 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000758301 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100011215416 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 2230a_100000219829_100000758301 [0,1,0,0,0,0|3,0,0]=4 307 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100000758301 [0,1,0,0,0,0|3,0,0]=4 308 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 34a_100000219829_100011215416 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 2230a_100000743151_100000758301 [0,1,0,0,0,0|3,0,0]=4 310 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100000758301 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 34a_100000743151_100011215416 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.21 CCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000758301 [0,1,0,0,0,0|3,0,0]=4 313 B13R1.21 CCC(C)N(C)c1ccc(cc1)O 34a_100000182112_100011215416 [0,1,0,0,0,0|3,0,0]=4 314 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 2230a_100000225621_100000755118 [0,1,0,0,0,0|3,0,0]=4 315 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000210202 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 269982a_100000225621_100000755118 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100000204670 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.21 CCN(C)C(C)c1ccc(cc1)C 2230a_100000225621_100011261388 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.21 CCN(C)C(C)c1ccc(cc1)C 269982a_100000225621_100011261388 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000225621_100000684792 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000210202 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000225621_100000684792 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100000204670 [0,1,0,0,0,0|3,0,0]=4 324 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000210202 [0,1,0,0,0,0|3,0,0]=4 325 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000222793_200000210301 [0,1,0,0,0,0|3,0,0]=4 326 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000225621_100000743420 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100000204670 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000222793_200000210301 [0,1,0,0,0,0|3,0,0]=4 329 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000225621_100000743420 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100000210202 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 34a_100000222793_200000210301 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 2230a_100000222793_200025704644 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 269982a_100000222793_200025704644 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 34a_100000222793_200025704644 [0,1,0,0,0,0|3,0,0]=4 335 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 11a_106832991635_100000751627 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 1626a_100102657272_100000751627 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 240690a_100102657272_100000751627 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 527a_100102657272_100000751627 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 11a_106832991635_100011216001 [0,1,0,0,0,0|2,0,1]=4 340 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 1626a_100102657272_100011216001 [0,1,0,0,0,0|2,0,1]=4 341 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 240690a_100102657272_100011216001 [0,1,0,0,0,0|2,0,1]=4 342 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 527a_100102657272_100011216001 [0,1,0,0,0,0|2,0,1]=4 343 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 11a_106832991635_100011435297 [0,1,0,0,0,0|2,0,1]=4 344 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 1626a_100102657272_100011435297 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 240690a_100102657272_100011435297 [0,1,0,0,0,0|2,0,1]=4 346 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 527a_100102657272_100011435297 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [0,1,0,0,0,0|2,0,1]=4 348 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 11a_106832991635_100012277543 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 1626a_100102657272_100012277543 [0,1,0,0,0,0|2,0,1]=4 350 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 240690a_100102657272_100012277543 [0,1,0,0,0,0|2,0,1]=4 351 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 527a_100102657272_100012277543 [0,1,0,0,0,0|2,0,1]=4 352 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,1,0,0,0,0|1,0,1]=3 353 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,1,0,0,0,0|1,0,1]=3 354 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,1,0,0,0,0|1,0,1]=3 355 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,1,0,0,0,0|1,0,1]=3 356 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,1,0,0,0,0|1,0,1]=3 357 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 2230a_106832991635_100000184162 [0,1,0,0,0,0|0,0,2]=3 358 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 34a_100102657272_100000184162 [0,1,0,0,0,0|0,0,2]=3 359 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 7a_106832991635_100000184162 [0,1,0,0,0,0|0,0,2]=3 360 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 2230a_106832991635_100000726416 [0,1,0,0,0,0|0,0,2]=3 361 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 34a_100102657272_100000726416 [0,1,0,0,0,0|0,0,2]=3 362 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 7a_106832991635_100000183984 [0,1,0,0,0,0|0,0,2]=3 363 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 2230a_106832991635_100000183210 [0,1,0,0,0,0|0,0,2]=3 364 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 7a_106832991635_100000183210 [0,1,0,0,0,0|0,0,2]=3 365 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 2230a_106832991635_100000229918 [0,1,0,0,0,0|0,0,2]=3 366 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 34a_100102657272_100000229918 [0,1,0,0,0,0|0,0,2]=3 367 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 7a_106832991635_100000229918 [0,1,0,0,0,0|0,0,2]=3 368 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 2230a_106832991635_200010205864 [0,1,0,0,0,0|0,0,2]=3 369 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 34a_100102657272_200010205864 [0,1,0,0,0,0|0,0,2]=3 370 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 7a_106832991635_200010205864 [0,1,0,0,0,0|0,0,2]=3 371 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200000210301 [0,1,0,0,0,0|0,0,0]=1 372 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200000210301 [0,1,0,0,0,0|0,0,0]=1 373 B13R1.21 COC(C)C(=O)c1ccc(cc1)Br 34a_100138415774_100000184162 [0,1,0,0,0,0|1,0,2]=4 374 B13R1.21 COC(C)C(=O)c1ccc(cc1)C 34a_100138415774_100000726416 [0,1,0,0,0,0|1,0,2]=4 375 B13R1.21 COC(C)C(=O)c1ccc(cc1)F 34a_100138415774_100000229918 [0,1,0,0,0,0|1,0,2]=4 376 B13R1.21 COC(C)C(=O)c1ccc(cc1)O 34a_100138415774_200010205864 [0,1,0,0,0,0|1,0,2]=4 377 B13R1.21 COC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100009879195 [0,1,0,0,0,0|3,0,0]=4 378 B13R1.21 COC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100009879195 [0,1,0,0,0,0|3,0,0]=4 379 B13R1.21 COC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100009879195 [0,1,0,0,0,0|3,0,0]=4 380 B13R1.21 COC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100009879195 [0,1,0,0,0,0|3,0,0]=4 381 B13R1.21 COC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100009879195 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.21 COC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100009879195 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Br 62a_100000184162_200000210301 [0,1,0,0,0,0|1,0,2]=4 384 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Br 62a_200000210301_100000184162 [0,1,0,0,0,0|1,0,2]=4 385 B13R1.21 CSC(C)C(=O)c1ccc(cc1)C 62a_100000726416_200000210301 [0,1,0,0,0,0|1,0,2]=4 386 B13R1.21 CSC(C)C(=O)c1ccc(cc1)C 62a_200000210301_100000726416 [0,1,0,0,0,0|1,0,2]=4 387 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Cl 62a_100000183210_200000210301 [0,1,0,0,0,0|1,0,2]=4 388 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Cl 62a_200000210301_100000183210 [0,1,0,0,0,0|1,0,2]=4 389 B13R1.21 CSC(C)C(=O)c1ccc(cc1)F 62a_100000229918_200000210301 [0,1,0,0,0,0|1,0,2]=4 390 B13R1.21 CSC(C)C(=O)c1ccc(cc1)F 62a_200000210301_100000229918 [0,1,0,0,0,0|1,0,2]=4 391 B13R1.21 CSC(C)C(=O)c1ccc(cc1)O 62a_200000210301_200010205864 [0,1,0,0,0,0|1,0,2]=4 392 B13R1.21 CSC(C)C(=O)c1ccc(cc1)O 62a_200010205864_200000210301 [0,1,0,0,0,0|1,0,2]=4 393 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200025704644 [0,1,0,0,0,0|0,0,0]=1 394 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,1,0,0,0,0|0,0,0]=1 395 B13R1.21 Cc1ccc(cc1)C(=O)C(C)S[13CH3] 62a_100000726416_200025704644 [0,1,0,0,0,0|1,0,2]=4 396 B13R1.21 Cc1ccc(cc1)C(=O)C(C)S[13CH3] 62a_200025704644_100000726416 [0,1,0,0,0,0|1,0,2]=4 397 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Br 62a_100012349134_200025704644 [0,1,0,0,0,0|1,0,2]=4 398 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Br 62a_200025704644_100012349134 [0,1,0,0,0,0|1,0,2]=4 399 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Cl 62a_100000184413_200025704644 [0,1,0,0,0,0|1,0,2]=4 400 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Cl 62a_200025704644_100000184413 [0,1,0,0,0,0|1,0,2]=4 401 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)F 62a_100012356231_200025704644 [0,1,0,0,0,0|1,0,2]=4 402 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)F 62a_200025704644_100012356231 [0,1,0,0,0,0|1,0,2]=4 403 B13R1.22 CCC(=O)C(O)c1cccc(c1)C 1458a_100011434945_100000210202 [0,1,0,0,0,0|2,0,1]=4 404 B13R1.22 CCC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000210202 [0,1,0,0,0,0|2,0,1]=4 405 B13R1.22 CCC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210202 [0,1,0,0,0,0|2,0,1]=4 406 B13R1.22 CCC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000758301 [0,1,0,0,0,0|1,0,2]=4 407 B13R1.22 CCC(C)C(=O)c1cccc(c1)C 1458a_100000189346_100000758301 [0,1,0,0,0,0|1,0,2]=4 408 B13R1.22 CCC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000758301 [0,1,0,0,0,0|1,0,2]=4 409 B13R1.22 CCC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000758301 [0,1,0,0,0,0|1,0,2]=4 410 B13R1.22 CCC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000758301 [0,1,0,0,0,0|1,0,2]=4 411 B13R1.22 CCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000758301 [0,1,0,0,0,0|1,0,2]=4 412 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 2230a_100000219648_100000758301 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100000758301 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 34a_100000219648_100011215416 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.22 CCC(C)N(C)c1cccc(c1)C 2230a_100000219674_100000758301 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.22 CCC(C)N(C)c1cccc(c1)C 269982a_100000219674_100000758301 [0,1,0,0,0,0|3,0,0]=4 417 B13R1.22 CCC(C)N(C)c1cccc(c1)C 34a_100000219674_100011215416 [0,1,0,0,0,0|3,0,0]=4 418 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100000758301 [0,1,0,0,0,0|3,0,0]=4 419 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100000758301 [0,1,0,0,0,0|3,0,0]=4 420 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 34a_100000220044_100011215416 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.22 CCC(C)N(C)c1cccc(c1)F 2230a_100020633736_100000758301 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.22 CCC(C)N(C)c1cccc(c1)F 269982a_100020633736_100000758301 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.22 CCC(C)N(C)c1cccc(c1)F 34a_100020633736_100011215416 [0,1,0,0,0,0|3,0,0]=4 424 B13R1.22 CCC(C)N(C)c1cccc(c1)I 2230a_100000221217_100000758301 [0,1,0,0,0,0|3,0,0]=4 425 B13R1.22 CCC(C)N(C)c1cccc(c1)I 269982a_100000221217_100000758301 [0,1,0,0,0,0|3,0,0]=4 426 B13R1.22 CCC(C)N(C)c1cccc(c1)I 34a_100000221217_100011215416 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.22 CCC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000758301 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.22 CCC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000758301 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.22 CCC(C)N(C)c1cccc(c1)O 34a_100000756613_100011215416 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.22 CCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100000210202 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.22 CCN(C)C(C)c1cccc(c1)Br 269982a_100025717457_100000204670 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.22 CCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100000210202 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.22 CCN(C)C(C)c1cccc(c1)F 269982a_100000231114_100000204670 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.22 CCN(C)C(C)c1cccc(c1)F 34a_100000231114_100000210202 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 11a_106832991635_100000722698 [0,1,0,0,0,0|2,0,1]=4 436 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 1626a_100102657272_100000722698 [0,1,0,0,0,0|2,0,1]=4 437 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 240690a_100102657272_100000722698 [0,1,0,0,0,0|2,0,1]=4 438 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 527a_100102657272_100000722698 [0,1,0,0,0,0|2,0,1]=4 439 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 11a_106832991635_100000762818 [0,1,0,0,0,0|2,0,1]=4 440 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 1626a_100102657272_100000762818 [0,1,0,0,0,0|2,0,1]=4 441 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 240690a_100102657272_100000762818 [0,1,0,0,0,0|2,0,1]=4 442 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 527a_100102657272_100000762818 [0,1,0,0,0,0|2,0,1]=4 443 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 11a_106832991635_100000762896 [0,1,0,0,0,0|2,0,1]=4 444 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 1626a_100102657272_100000762896 [0,1,0,0,0,0|2,0,1]=4 445 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 240690a_100102657272_100000762896 [0,1,0,0,0,0|2,0,1]=4 446 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 527a_100102657272_100000762896 [0,1,0,0,0,0|2,0,1]=4 447 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,1,0,0,0,0|1,0,1]=3 448 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,1,0,0,0,0|1,0,1]=3 449 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,1,0,0,0,0|1,0,1]=3 450 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 11a_106832991635_200009911544 [0,1,0,0,0,0|2,0,1]=4 451 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 1626a_100102657272_200009911544 [0,1,0,0,0,0|2,0,1]=4 452 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 240690a_100102657272_200009911544 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 527a_100102657272_200009911544 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 2230a_106832991635_100012349134 [0,1,0,0,0,0|0,0,2]=3 455 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 34a_100102657272_100012349134 [0,1,0,0,0,0|0,0,2]=3 456 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 7a_106832991635_100012349134 [0,1,0,0,0,0|0,0,2]=3 457 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 2230a_106832991635_100000184413 [0,1,0,0,0,0|0,0,2]=3 458 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 34a_100102657272_100000184413 [0,1,0,0,0,0|0,0,2]=3 459 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 7a_106832991635_100000184413 [0,1,0,0,0,0|0,0,2]=3 460 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 2230a_106832991635_100012356231 [0,1,0,0,0,0|0,0,2]=3 461 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 34a_100102657272_100012356231 [0,1,0,0,0,0|0,0,2]=3 462 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 7a_106832991635_100012356231 [0,1,0,0,0,0|0,0,2]=3 463 B13R1.22 COC(C)C(=O)c1cccc(c1)Br 34a_100138415774_100012349134 [0,1,0,0,0,0|1,0,2]=4 464 B13R1.22 COC(C)C(=O)c1cccc(c1)Cl 34a_100138415774_100000184413 [0,1,0,0,0,0|1,0,2]=4 465 B13R1.22 COC(C)C(=O)c1cccc(c1)F 34a_100138415774_100012356231 [0,1,0,0,0,0|1,0,2]=4 466 B13R1.22 COC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100009879195 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.22 COC(C)N(C)c1cccc(c1)C 269982a_100000219674_100009879195 [0,1,0,0,0,0|3,0,0]=4 468 B13R1.22 COC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100009879195 [0,1,0,0,0,0|3,0,0]=4 469 B13R1.22 COC(C)N(C)c1cccc(c1)F 269982a_100020633736_100009879195 [0,1,0,0,0,0|3,0,0]=4 470 B13R1.22 COC(C)N(C)c1cccc(c1)I 269982a_100000221217_100009879195 [0,1,0,0,0,0|3,0,0]=4 471 B13R1.22 COC(C)N(C)c1cccc(c1)O 269982a_100000756613_100009879195 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.22 CSC(C)C(=O)c1cccc(c1)Br 62a_100012349134_200000210301 [0,1,0,0,0,0|1,0,2]=4 473 B13R1.22 CSC(C)C(=O)c1cccc(c1)Br 62a_200000210301_100012349134 [0,1,0,0,0,0|1,0,2]=4 474 B13R1.22 CSC(C)C(=O)c1cccc(c1)Cl 62a_100000184413_200000210301 [0,1,0,0,0,0|1,0,2]=4 475 B13R1.22 CSC(C)C(=O)c1cccc(c1)Cl 62a_200000210301_100000184413 [0,1,0,0,0,0|1,0,2]=4 476 B13R1.22 CSC(C)C(=O)c1cccc(c1)F 62a_100012356231_200000210301 [0,1,0,0,0,0|1,0,2]=4 477 B13R1.22 CSC(C)C(=O)c1cccc(c1)F 62a_200000210301_100012356231 [0,1,0,0,0,0|1,0,2]=4 478 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,1,0,0,0,0|1,0,2]=4 479 B13R1.47 CC(CCO)N(C)c1ccccc1 2230a_100000210012_100009893172 [0,1,0,0,0,0|3,0,0]=4 480 B13R1.47 CC(CCO)N(C)c1ccccc1 269982a_100000210012_100009893172 [0,1,0,0,0,0|3,0,0]=4 481 B13R1.47 CC(CCO)N(C)c1ccccc1 34a_100000210012_100009893172 [0,1,0,0,0,0|3,0,0]=4 482 B13R1.47 CC(CN[13CH3])N(C)c1ccccc1 2230a_100000245588_200025704644 [0,1,0,0,0,0|2,0,0]=3 483 B13R1.47 CC(SCF)C(=O)c1ccccc1 62a_100000239700_100015361967 [0,1,0,0,0,0|1,0,2]=4 484 B13R1.47 CC(SCF)C(=O)c1ccccc1 62a_100015361967_100000239700 [0,1,0,0,0,0|1,0,2]=4 485 B13R1.47 CC(c1ccccc1)N(C)CCF 2230a_100000195388_100011217306 [0,1,0,0,0,0|3,0,0]=4 486 B13R1.47 CC(c1ccccc1)N(C)CCF 269982a_100000195388_100011217306 [0,1,0,0,0,0|3,0,0]=4 487 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000195388_100000211926 [0,1,0,0,0,0|3,0,0]=4 488 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000210263_100000230085 [0,1,0,0,0,0|3,0,0]=4 489 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000195388_100000211926 [0,1,0,0,0,0|3,0,0]=4 490 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000210263_100000230085 [0,1,0,0,0,0|3,0,0]=4 491 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,1,0,0,0,0|2,0,1]=4 492 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,1,0,0,0,0|1,0,2]=4 493 B13R1.47 CCCC(C)N(C)c1ccccc1 2230a_100000210012_100000766640 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.47 CCCC(C)N(C)c1ccccc1 269982a_100000210012_100000766640 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.47 CCCC(C)N(C)c1ccccc1 34a_100000210012_100000766640 [0,1,0,0,0,0|3,0,0]=4 496 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,1,0,0,0,0|3,0,0]=4 497 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,1,0,0,0,0|3,0,0]=4 503 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.47 CCNC(=O)C(F)c1ccccc1 11a_100015525214_100000698975 [0,1,0,0,0,0|2,0,1]=4 505 B13R1.47 CCNC(=O)C(F)c1ccccc1 240690a_100015525214_100000698975 [0,1,0,0,0,0|2,0,1]=4 506 B13R1.47 CCNC(=O)C(F)c1ccccc1 527a_100015525214_100000698975 [0,1,0,0,0,0|2,0,1]=4 507 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [0,1,0,0,0,0|2,0,1]=4 508 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [0,1,0,0,0,0|2,0,1]=4 509 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [0,1,0,0,0,0|2,0,1]=4 510 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,1,0,0,0,0|1,0,1]=3 511 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [0,1,0,0,0,0|0,0,2]=3 512 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,1,0,0,0,0|2,0,0]=3 513 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000210202_100000239700 [0,1,0,0,0,0|1,0,2]=4 514 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210202 [0,1,0,0,0,0|1,0,2]=4 515 B13R1.47 CNCC(C)N(C)c1ccccc1 2230a_100000245588_200000210301 [0,1,0,0,0,0|2,0,0]=3 516 B13R1.47 CNNC(=O)C(F)c1ccccc1 22a_100016993582_100000698975 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.47 CNNC(=O)[C@@H](C)c1ccccc1 22a_100016993582_100000751047 [0,1,0,0,0,0|2,0,1]=4 518 B13R1.47 CNNC(=O)[C@H](O)c1ccccc1 22a_100016993582_100000684486 [0,1,0,0,0,0|1,0,1]=3 519 B13R1.47 COCC(C)C(=O)c1ccccc1 1458a_100000185807_100000765312 [0,1,0,0,0,0|1,0,2]=4 520 B13R1.47 COCC(C)N(C)c1ccccc1 2230a_100000210012_100000765312 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.47 COCC(C)N(C)c1ccccc1 2230a_100011695367_200000210301 [0,1,0,0,0,0|3,0,0]=4 522 B13R1.47 COCC(C)N(C)c1ccccc1 269982a_100000210012_100000765312 [0,1,0,0,0,0|3,0,0]=4 523 B13R1.47 COCC(C)N(C)c1ccccc1 269982a_100011695367_200000210301 [0,1,0,0,0,0|3,0,0]=4 524 B13R1.47 COCC(C)N(C)c1ccccc1 34a_100000210012_100000765312 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.47 COCC(C)N(C)c1ccccc1 34a_100011695367_200000210301 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.47 COCC(C)N([13CH3])c1ccccc1 2230a_100011695367_200025704644 [0,1,0,0,0,0|3,0,0]=4 527 B13R1.47 COCC(C)N([13CH3])c1ccccc1 269982a_100011695367_200025704644 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.47 COCC(C)N([13CH3])c1ccccc1 34a_100011695367_200025704644 [0,1,0,0,0,0|3,0,0]=4 529 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.47 CSCN(C)C(C)c1ccccc1 2230a_100000195388_100011218213 [0,1,0,0,0,0|3,0,0]=4 532 B13R1.47 CSCN(C)C(C)c1ccccc1 269982a_100000195388_100011218213 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.47 C[C@H](OCF)[C@@H](N)c1ccccc1 34a_100134616770_100015361967 [0,1,0,0,0,0|2,0,0]=3 534 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 2230a_100000753783_200000210301 [0,1,0,0,0,0|3,0,0]=4 535 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 269982a_100000753783_200000210301 [0,1,0,0,0,0|3,0,0]=4 536 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 2230a_100000753783_200025704644 [0,1,0,0,0,0|3,0,0]=4 537 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 269982a_100000753783_200025704644 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.47 O=C(CCF)[C@H](O)c1ccccc1 1458a_100000684486_100011217306 [0,1,0,0,0,0|2,0,1]=4 539 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,1,0,0,0,0|2,0,1]=4 540 B13R1.86 CCC(CC)C(=O)c1ccccc1 1458a_100000185807_100000210505 [0,1,0,0,0,0|1,0,2]=4 541 B13R1.86 CCC(CC)N(C)c1ccccc1 269982a_100000210012_100000210505 [0,1,0,0,0,0|3,0,0]=4 542 B13R1.86 CCN(CC)C(C)c1ccccc1 2230a_100000724800_100000230085 [0,1,0,0,0,0|3,0,0]=4 543 B13R1.86 CCN(CC)C(C)c1ccccc1 269956a_100000042499_100000211855 [0,1,0,0,0,0|3,0,0]=4 544 B13R1.86 CCN(CC)C(C)c1ccccc1 269982a_100000724800_100000230085 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,1,0,0,0,0|0,0,0]=1 546 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,1,0,0,0,0|0,0,0]=1 547 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,1,0,0,0,0|1,0,2]=4 548 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,1,0,0,0,0|1,0,2]=4 549 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [0,1,0,0,0,0|3,0,0]=4 555 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 2230a_100102631434_100000239700 [0,1,0,0,0,0|0,0,2]=3 556 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 269982a_100102631434_100000239700 [0,1,0,0,0,0|0,0,2]=3 557 B13R1.152 CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210206 [0,1,0,0,0,0|2,0,1]=4 558 B13R1.152 CC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000210206 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000210206 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000218734_200000210301 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_200000211004_100000230085 [0,1,0,0,0,0|3,0,0]=4 562 B13R1.152 CC(C)N([13CH3])C(C)c1ccccc1 269982a_100000218734_200025704644 [0,1,0,0,0,0|3,0,0]=4 563 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 11a_100102631434_100000698975 [0,1,0,0,0,0|2,0,1]=4 564 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 1626a_100102631434_100000698975 [0,1,0,0,0,0|2,0,1]=4 565 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 240690a_100102631434_100000698975 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 527a_100102631434_100000698975 [0,1,0,0,0,0|2,0,1]=4 567 B13R1.152 CN(C)C(=O)[C@H](O)c1ccccc1 240690a_100102631434_100000684486 [0,1,0,0,0,0|1,0,1]=3 568 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000751047 [0,1,0,0,0,0|2,0,1]=4 569 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000751047 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000751047 [0,1,0,0,0,0|2,0,1]=4 571 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000751047 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.263 CC(C)(O[13CH3])C(=O)c1ccccc1 34a_100011217161_200025704644 [0,1,0,0,0,0|1,0,2]=4 573 B13R1.263 CC(C)(O[13CH3])C(=O)c1ccccc1 7a_100011217161_200025704644 [0,1,0,0,0,0|1,0,2]=4 574 B13R1.263 CC(C)(S[13CH3])C(=O)c1ccccc1 62a_200009813919_200025704644 [0,1,0,0,0,0|1,0,2]=4 575 B13R1.263 CC(C)(S[13CH3])C(=O)c1ccccc1 62a_200025704644_200009813919 [0,1,0,0,0,0|1,0,2]=4 576 B13R1.263 CCC(C)(C)N(C)c1ccccc1 269982a_100000210012_100000032637 [0,1,0,0,0,0|3,0,0]=4 577 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 2230a_106832991635_200009813919 [0,1,0,0,0,0|0,0,2]=3 578 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 7a_106832991635_200009813919 [0,1,0,0,0,0|0,0,2]=3 579 B13R1.263 COC(C)(C)C(=O)c1ccccc1 34a_100011217161_200000210301 [0,1,0,0,0,0|1,0,2]=4 580 B13R1.263 COC(C)(C)C(=O)c1ccccc1 7a_100011217161_200000210301 [0,1,0,0,0,0|1,0,2]=4 581 B13R1.263 CSC(C)(C)C(=O)c1ccccc1 62a_200000210301_200009813919 [0,1,0,0,0,0|1,0,2]=4 582 B13R1.263 CSC(C)(C)C(=O)c1ccccc1 62a_200009813919_200000210301 [0,1,0,0,0,0|1,0,2]=4 583 B13R1.532 C=CC(c1ccccc1)N(C)CC 2230a_100000225621_200000085779 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.532 C=CC(c1ccccc1)N(C)CC 269982a_100000225621_200000085779 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.532 CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210202 [0,1,0,0,0,0|2,0,1]=4 586 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,1,0,0,0,0|2,0,1]=4 587 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [0,1,0,0,0,0|2,0,1]=4 588 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [0,1,0,0,0,0|2,0,1]=4 589 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [0,1,0,0,0,0|2,0,1]=4 590 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [0,1,0,0,0,0|2,0,1]=4 591 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,1,0,0,0,0|2,0,0]=3 593 B13R1.532 CCC(C)N(CC)c1ccccc1 2230a_100000210013_100000758301 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.532 CCC(C)N(CC)c1ccccc1 269982a_100000210013_100000758301 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.532 CCC(C)N(CC)c1ccccc1 34a_100000210013_100011215416 [0,1,0,0,0,0|3,0,0]=4 596 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [0,1,0,0,0,0|3,0,0]=4 598 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [0,1,0,0,0,0|3,0,0]=4 601 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [0,1,0,0,0,0|3,0,0]=4 602 B13R1.532 CCN(c1ccccc1)C(C)OC 269982a_100000210013_100009879195 [0,1,0,0,0,0|3,0,0]=4 603 B13R1.532 CNC(=O)C(CO)c1ccccc1 240690a_100102657272_100011218805 [0,1,0,0,0,0|1,0,1]=3 604 B13R1.532 CNC(=O)C(NC)c1ccccc1 2230a_100000741928_200000210301 [0,1,0,0,0,0|2,0,1]=4 605 B13R1.532 CNC(=O)C(NC)c1ccccc1 34a_100000741928_200000210301 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 2230a_100000741928_200025704644 [0,1,0,0,0,0|2,0,1]=4 607 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 34a_100000741928_200025704644 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,1,0,0,0,0|1,0,1]=3 609 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,1,0,0,0,0|1,0,1]=3 610 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,1,0,0,0,0|1,0,1]=3 611 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,1,0,0,0,0|1,0,1]=3 612 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,1,0,0,0,0|1,0,1]=3 613 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,1,0,0,0,0|1,0,1]=3 614 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,1,0,0,0,0|2,0,1]=4 615 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,1,0,0,0,0|2,0,1]=4 616 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,1,0,0,0,0|2,0,1]=4 617 B13R1.532 COC(C(=O)NN)c1ccccc1 34a_100011203043_200000210301 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.532 [13CH3]OC(C(=O)NN)c1ccccc1 34a_100011203043_200025704644 [0,1,0,0,0,0|2,0,1]=4 619 B13R1.696 CC(S[13CH3])C(=O)c1ccccc1Cl 62a_100010255250_200025704644 [0,1,0,0,0,0|1,0,2]=4 620 B13R1.696 CC(S[13CH3])C(=O)c1ccccc1Cl 62a_200025704644_100010255250 [0,1,0,0,0,0|1,0,2]=4 621 B13R1.696 CCC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000210202 [0,1,0,0,0,0|2,0,1]=4 622 B13R1.696 CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210202 [0,1,0,0,0,0|2,0,1]=4 623 B13R1.696 CCC(=O)C(O)c1ccccc1F 1458a_100011219519_100000210202 [0,1,0,0,0,0|2,0,1]=4 624 B13R1.696 CCC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000758301 [0,1,0,0,0,0|1,0,2]=4 625 B13R1.696 CCC(C)C(=O)c1ccccc1C 1458a_100000212026_100000758301 [0,1,0,0,0,0|1,0,2]=4 626 B13R1.696 CCC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000758301 [0,1,0,0,0,0|1,0,2]=4 627 B13R1.696 CCC(C)C(=O)c1ccccc1F 1458a_100000188656_100000758301 [0,1,0,0,0,0|1,0,2]=4 628 B13R1.696 CCC(C)C(=O)c1ccccc1I 1458a_100000187884_100000758301 [0,1,0,0,0,0|1,0,2]=4 629 B13R1.696 CCC(C)C(=O)c1ccccc1O 1458a_100015234032_100000758301 [0,1,0,0,0,0|1,0,2]=4 630 B13R1.696 CCC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000758301 [0,1,0,0,0,0|1,0,2]=4 631 B13R1.696 CCC(C)N(C)c1ccccc1Br 2230a_100020606079_100000758301 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.696 CCC(C)N(C)c1ccccc1Br 269982a_100020606079_100000758301 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.696 CCC(C)N(C)c1ccccc1Br 34a_100020606079_100011215416 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.696 CCC(C)N(C)c1ccccc1C 2230a_100000219699_100000758301 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.696 CCC(C)N(C)c1ccccc1C 269982a_100000219699_100000758301 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.696 CCC(C)N(C)c1ccccc1C 34a_100000219699_100011215416 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.696 CCC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000758301 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.696 CCC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000758301 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.696 CCC(C)N(C)c1ccccc1Cl 34a_100000219374_100011215416 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.696 CCC(C)N(C)c1ccccc1F 2230a_100000220357_100000758301 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.696 CCC(C)N(C)c1ccccc1F 269982a_100000220357_100000758301 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.696 CCC(C)N(C)c1ccccc1F 34a_100000220357_100011215416 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.696 CCC(C)N(C)c1ccccc1F 38a_100000220357_100011215416 [0,1,0,0,0,0|3,0,0]=4 644 B13R1.696 CCC(C)N(C)c1ccccc1O 269982a_100000033821_100000758301 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.696 CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210202 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.696 CCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000204670 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.696 CCN(C)C(C)c1ccccc1Cl 2230a_100000225621_100000181259 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.696 CCN(C)C(C)c1ccccc1Cl 269982a_100000225621_100000181259 [0,1,0,0,0,0|3,0,0]=4 649 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000225621_200000741388 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210202 [0,1,0,0,0,0|3,0,0]=4 651 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000225621_200000741388 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000231110_100000204670 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.696 CCN(C)C(C)c1ccccc1F 34a_100000231110_100000210202 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.696 CNC(=O)C(C)c1ccccc1Br 11a_106832991635_100012359601 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.696 CNC(=O)C(C)c1ccccc1Br 1626a_100102657272_100012359601 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.696 CNC(=O)C(C)c1ccccc1Br 240690a_100102657272_100012359601 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.696 CNC(=O)C(C)c1ccccc1Br 527a_100102657272_100012359601 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 11a_106832991635_100011667492 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 1626a_100102657272_100011667492 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 240690a_100102657272_100011667492 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 527a_100102657272_100011667492 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,1,0,0,0,0|1,0,1]=3 663 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,1,0,0,0,0|1,0,1]=3 664 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,1,0,0,0,0|1,0,1]=3 665 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 2230a_106832991635_100010255250 [0,1,0,0,0,0|0,0,2]=3 666 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 7a_106832991635_100010255250 [0,1,0,0,0,0|0,0,2]=3 667 B13R1.696 COC(=O)C(O)c1ccccc1O 271570a_203496583355_200011625927 [0,1,0,0,0,0|2,0,1]=4 668 B13R1.696 COC(C)N(C)c1ccccc1Br 269982a_100020606079_100009879195 [0,1,0,0,0,0|3,0,0]=4 669 B13R1.696 COC(C)N(C)c1ccccc1C 269982a_100000219699_100009879195 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.696 COC(C)N(C)c1ccccc1Cl 269982a_100000219374_100009879195 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.696 COC(C)N(C)c1ccccc1F 269982a_100000220357_100009879195 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.696 COC(C)N(C)c1ccccc1O 269982a_100000033821_100009879195 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.696 CSC(C)C(=O)c1ccccc1Cl 62a_100010255250_200000210301 [0,1,0,0,0,0|1,0,2]=4 674 B13R1.696 CSC(C)C(=O)c1ccccc1Cl 62a_200000210301_100010255250 [0,1,0,0,0,0|1,0,2]=4 675 B13R1.708 CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210202 [0,1,0,0,0,0|2,0,1]=4 676 B13R1.708 CCN(C)C(C)(C)c1ccccc1 2230a_100000225621_100000034625 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.708 CCN(C)C(C)(C)c1ccccc1 269982a_100000225621_100000034625 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.708 CCN(C)C(F)(F)c1ccccc1 269982a_100000225621_100000036403 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 11a_106832991635_100000211857 [0,1,0,0,0,0|2,0,1]=4 680 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 1626a_100102657272_100000211857 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 240690a_100102657272_100000211857 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 527a_100102657272_100000211857 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 11a_106832991635_100000182030 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 1626a_100102657272_100000182030 [0,1,0,0,0,0|2,0,1]=4 685 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 240690a_100102657272_100000182030 [0,1,0,0,0,0|2,0,1]=4 686 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 527a_100102657272_100000182030 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.708 CNC(=O)[C@](C)(O)c1ccccc1 240690a_100102657272_100000753667 [0,1,0,0,0,0|1,0,1]=3 688 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,0,0,1,0,0|3,0,0]=4 689 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,0,0,1,0,0|3,0,0]=4 690 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,0,0,1,0,0|3,0,0]=4 691 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,0,0,1,0,0|2,1,0]=4 692 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,0,0,1,0,0|2,1,0]=4 693 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,0,0,1,0,0|2,1,0]=4 694 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,0,0,1,0,0|2,1,0]=4 695 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,0,0,1,0,0|3,0,0]=4 696 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,0,0,1,0,0|3,0,0]=4 697 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,0,0,1,0,0|3,0,0]=4 698 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,0,0,1,0,0|2,1,0]=4 699 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,0,0,1,0,0|2,1,0]=4 700 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,0,0,1,0,0|2,1,0]=4 701 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,0,0,1,0,0|2,1,0]=4 702 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,0,0,1,0,0|3,0,0]=4 703 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,0,0,1,0,0|3,0,0]=4 704 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,0,0,1,0,0|3,0,0]=4 705 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,0,0,1,0,0|3,0,0]=4 706 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,0,0,1,0,0|3,0,0]=4 707 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,0,0,1,0,0|3,0,0]=4 708 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,0,0,1,0,0|0,0,0]=1 709 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,0,0,1,0,0|0,0,0]=1 710 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,0,0,1,0,0|1,0,0]=2 711 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,0,0,1,0,0|1,0,2]=4 712 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,0,0,1,0,0|1,0,2]=4 713 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,0,0,1,0,0|1,0,0]=2 714 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,0,0,1,0,0|1,0,0]=2 715 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,0,0,1,0,0|1,0,2]=4 716 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,0,0,1,0,0|1,0,2]=4 717 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,0,0,1,0,0|1,0,0]=2 718 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,0,0,1,0,0|1,0,0]=2 719 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,0,0,1,0,0|3,0,0]=4 720 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,0,0,1,0,0|3,0,0]=4 721 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,0,0,1,0,0|3,0,0]=4 722 B13R2.8137 CN(c1ccccc1)C2CCC2 269982a_100000210012_100000749161 [0,0,0,1,0,0|3,0,0]=4 723 B13R2.8137 CN(c1ccccc1)C2CCC2 34a_100000210012_100000749161 [0,0,0,1,0,0|3,0,0]=4 724 B13R2.8137 O=C(c1ccccc1)C2CCC2 1458a_100000185807_100000749161 [0,0,0,1,0,0|1,0,2]=4 725 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [0,0,0,1,0,0|3,0,0]=4 726 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,0,0,1,0,0|2,0,1]=4 727 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,0,0,1,0,0|2,0,1]=4 728 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,0,0,1,0,0|2,0,1]=4 729 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,0,0,1,0,0|2,0,1]=4 730 B11R1.31 CNC(C)C(=O)c1cccs1 2230a_106832991635_100011262360 [0,0,0,0,1,0|1,0,2]=4 731 B11R1.31 CNC(C)C(=O)c1cccs1 7a_106832991635_100011262360 [0,0,0,0,1,0|1,0,2]=4 732 B13R1.11 C#CC(C)NC(C)c1ccccc1 2230a_100000707721_100000230085 [0,0,0,0,0,1|2,0,1]=4 733 B13R1.11 C#CC(C)NC(C)c1ccccc1 34a_100000707721_100000211855 [0,0,0,0,0,1|2,0,1]=4 734 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,0,0,0,0,1|2,0,1]=4 735 B13R1.11 C#CC(C)SC(C)c1ccccc1 62a_200000035995_100000230085 [0,0,0,0,0,1|2,0,1]=4 736 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,0,0,0,0,1|2,0,1]=4 737 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,0,0,0,0,1|2,0,1]=4 738 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,0,0,0,0,1|2,0,1]=4 739 B13R1.11 C=CC(C)SC(C)c1ccccc1 62a_100011215867_100000230085 [0,0,0,0,0,1|2,0,1]=4 740 B13R1.11 CC(C#N)NC(C)c1ccccc1 2230a_100000737613_100000230085 [0,0,0,0,0,1|3,0,0]=4 741 B13R1.11 CC(C#N)N[C@H](C)c1ccccc1 2230a_100000751104_100000184139 [0,0,0,0,0,1|3,0,0]=4 742 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,0,0,0,0,1|3,0,0]=4 743 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,0,0,0,0,1|3,0,0]=4 744 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000230085_100000703298 [0,0,0,0,0,1|3,0,0]=4 745 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000703298_100000230085 [0,0,0,0,0,1|3,0,0]=4 746 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,0,0,0,0,1|3,0,0]=4 747 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,0,0,0,0,1|3,0,0]=4 748 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,0,0,0,0,1|3,0,0]=4 749 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,0,0,0,0,1|3,0,0]=4 750 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,0,0,0,0,1|3,0,0]=4 751 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,0,0,0,0,1|3,0,0]=4 752 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,0,0,0,0,1|3,0,0]=4 753 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,0,0,0,0,1|3,0,0]=4 754 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,0,0,0,0,1|3,0,0]=4 755 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,0,0,0,0,1|3,0,0]=4 756 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,0,0,0,0,1|3,0,0]=4 757 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,0,0,0,0,1|3,0,0]=4 758 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,0,0,0,0,1|2,0,1]=4 759 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,0,0,0,0,1|2,0,1]=4 760 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,0,0,0,0,1|2,0,1]=4 761 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,0,0,0,0,1|1,0,2]=4 762 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,0,0,0,0,1|3,0,0]=4 763 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,0,0,0,0,1|3,0,0]=4 764 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,0,0,0,0,1|3,0,0]=4 765 B13R1.11 CCC(C)NC(=O)c1ccccc1 11a_100000209981_100000185807 [0,0,0,0,0,1|1,0,2]=4 766 B13R1.11 CCC(C)NC(=O)c1ccccc1 1626a_100000209981_100000185807 [0,0,0,0,0,1|1,0,2]=4 767 B13R1.11 CCC(C)NC(=O)c1ccccc1 240690a_100000209981_100000185807 [0,0,0,0,0,1|1,0,2]=4 768 B13R1.11 CCC(C)NC(=O)c1ccccc1 527a_100000209981_100000185807 [0,0,0,0,0,1|1,0,2]=4 769 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,0,0,0,0,1|2,0,0]=3 770 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,0,0,0,0,1|2,0,0]=3 771 B13R1.11 CCC(C)NC(C)c1ccccn1 2230a_100000181244_100000758301 [0,0,0,0,0,1|3,0,0]=4 772 B13R1.11 CCC(C)NC(C)c1ccccn1 269862a_100000209981_100000210467 [0,0,0,0,0,1|3,0,0]=4 773 B13R1.11 CCC(C)NC(C)c1cccnc1 2230a_100000195435_100000758301 [0,0,0,0,0,1|3,0,0]=4 774 B13R1.11 CCC(C)NC(C)c1cccnc1 269862a_100000209981_100000210468 [0,0,0,0,0,1|3,0,0]=4 775 B13R1.11 CCC(C)NC(C)c1ccncc1 2230a_100000181269_100000758301 [0,0,0,0,0,1|3,0,0]=4 776 B13R1.11 CCC(C)NC(C)c1ccncc1 269862a_100000209981_100000185792 [0,0,0,0,0,1|3,0,0]=4 777 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,0,0,0,0,1|2,0,0]=3 778 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,0,0,0,0,1|2,0,0]=3 779 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,0,0,0,0,1|2,0,0]=3 780 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,0,0,0,0,1|2,0,0]=3 781 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,0,0,0,0,1|2,0,0]=3 782 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,0,0,0,0,1|2,0,0]=3 783 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,0,0,0,0,1|3,0,0]=4 784 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,0,0,0,0,1|3,0,0]=4 785 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,0,0,0,0,1|2,0,0]=3 786 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,0,0,0,0,1|2,0,0]=3 787 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,0,0,0,0,1|2,0,0]=3 788 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,0,0,0,0,1|2,0,0]=3 789 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,0,0,0,0,1|1,0,2]=4 790 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,0,0,0,0,1|3,0,0]=4 791 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,0,0,0,0,1|3,0,0]=4 792 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,0,0,0,0,1|3,0,0]=4 793 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [0,0,0,0,0,1|3,0,0]=4 794 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,0,0,0,0,1|2,0,1]=4 795 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,0,0,0,0,1|2,0,1]=4 796 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,0,0,0,0,1|2,0,1]=4 797 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,0,0,0,0,1|2,0,1]=4 798 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,0,0,0,0,1|1,0,1]=3 799 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [0,0,0,0,0,1|2,0,1]=4 800 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [0,0,0,0,0,1|2,0,1]=4 801 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [0,0,0,0,0,1|2,0,1]=4 802 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [0,0,0,0,0,1|2,0,1]=4 803 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [0,0,0,0,0,1|2,0,1]=4 804 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [0,0,0,0,0,1|2,0,1]=4 805 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100000230085_100009879195 [0,0,0,0,0,1|2,0,0]=3 806 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100009879195_100000230085 [0,0,0,0,0,1|2,0,0]=3 807 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 2230a_100000754830_200025704644 [0,0,0,0,0,1|0,0,2]=3 808 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 34a_100000754830_200025704644 [0,0,0,0,0,1|0,0,2]=3 809 B13R1.135 CC(S[13CH3])C(=O)Nc1ccccc1 62a_100000183986_200025704644 [0,0,0,0,0,1|1,0,2]=4 810 B13R1.135 CC(S[13CH3])C(=O)Nc1ccccc1 62a_200025704644_100000183986 [0,0,0,0,0,1|1,0,2]=4 811 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,0,0,0,0,1|2,0,1]=4 812 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,0,0,0,0,1|1,0,2]=4 813 B13R1.135 CCC(C)C(=O)Nc1ccccc1 11a_100000106764_100011192722 [0,0,0,0,0,1|1,0,2]=4 814 B13R1.135 CCC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011192722 [0,0,0,0,0,1|1,0,2]=4 815 B13R1.135 CCC(C)C(=O)Nc1ccccc1 22a_100000106764_100011192722 [0,0,0,0,0,1|1,0,2]=4 816 B13R1.135 CCC(C)C(=O)Nc1ccccc1 527a_100000106764_100011192722 [0,0,0,0,0,1|1,0,2]=4 817 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,0,0,0,0,1|3,0,0]=4 818 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,0,0,0,0,1|3,0,0]=4 819 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,0,0,0,0,1|3,0,0]=4 820 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,0,0,0,0,1|3,0,0]=4 821 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,0,0,0,0,1|3,0,0]=4 822 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,0,0,0,0,1|3,0,0]=4 823 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,0,0,0,0,1|3,0,0]=4 824 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,0,0,0,0,1|3,0,0]=4 825 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,0,0,0,0,1|3,0,0]=4 826 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,0,0,0,0,1|3,0,0]=4 827 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,0,0,0,0,1|2,0,1]=4 828 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,0,0,0,0,1|2,0,1]=4 829 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,0,0,0,0,1|2,0,1]=4 830 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,0,0,0,0,1|2,0,1]=4 831 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,0,0,0,0,1|2,0,1]=4 832 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,0,0,0,0,1|2,0,1]=4 833 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,0,0,0,0,1|2,0,1]=4 834 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,0,0,0,0,1|2,0,1]=4 835 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,0,0,0,0,1|2,0,1]=4 836 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,0,0,0,0,1|2,0,1]=4 837 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,0,0,0,0,1|2,0,1]=4 838 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,0,0,0,0,1|2,0,1]=4 839 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,0,0,0,0,1|2,0,1]=4 840 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,0,0,0,0,1|2,0,1]=4 841 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,0,0,0,0,1|2,0,1]=4 842 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,0,0,0,0,1|2,0,1]=4 843 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,0,0,0,0,1|2,0,1]=4 844 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,0,0,0,0,1|2,0,1]=4 845 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,0,0,0,0,1|2,0,1]=4 846 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,0,0,0,0,1|2,0,1]=4 847 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,0,0,0,0,1|2,0,1]=4 848 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,0,0,0,0,1|2,0,1]=4 849 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,0,0,0,0,1|1,0,1]=3 850 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_100000754830_200000210301 [0,0,0,0,0,1|0,0,2]=3 851 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_106832991635_100000183986 [0,0,0,0,0,1|0,0,2]=3 852 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100000754830_200000210301 [0,0,0,0,0,1|0,0,2]=3 853 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100102657272_100000183986 [0,0,0,0,0,1|0,0,2]=3 854 B13R1.135 CNC(C)C(=O)Nc1ccccc1 7a_106832991635_100000183986 [0,0,0,0,0,1|0,0,2]=3 855 B13R1.135 CNC(C)C(=O)Nc1ccccn1 2230a_106832991635_100015185774 [0,0,0,0,0,1|1,0,2]=4 856 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,0,0,0,0,1|1,0,0]=2 857 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,0,0,0,0,1|1,0,0]=2 858 B13R1.135 CNC(C)C(C)Oc1ccccc1 270004a_106832991635_100000150574 [0,0,0,0,0,1|1,0,0]=2 859 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,0,0,0,0,1|1,0,2]=4 860 B13R1.135 COC(C)C(=O)Nc1ccccc1 11a_100000106764_100000743197 [0,0,0,0,0,1|1,0,2]=4 861 B13R1.135 COC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000743197 [0,0,0,0,0,1|1,0,2]=4 862 B13R1.135 COC(C)C(=O)Nc1ccccc1 22a_100000106764_100000743197 [0,0,0,0,0,1|1,0,2]=4 863 B13R1.135 COC(C)C(=O)Nc1ccccc1 34a_100138415774_100000183986 [0,0,0,0,0,1|1,0,2]=4 864 B13R1.135 COC(C)C(=O)Nc1ccccc1 527a_100000106764_100000743197 [0,0,0,0,0,1|1,0,2]=4 865 B13R1.135 COC(C)N(C)Cc1ccccc1 269982a_100000186898_100009879195 [0,0,0,0,0,1|3,0,0]=4 866 B13R1.135 CSC(C)C(=O)Cc1ccccc1 1458a_100000149566_100015291786 [0,0,0,0,0,1|1,0,2]=4 867 B13R1.135 CSC(C)C(=O)Nc1ccccc1 11a_100000106764_100000149566 [0,0,0,0,0,1|1,0,2]=4 868 B13R1.135 CSC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000149566 [0,0,0,0,0,1|1,0,2]=4 869 B13R1.135 CSC(C)C(=O)Nc1ccccc1 22a_100000106764_100000149566 [0,0,0,0,0,1|1,0,2]=4 870 B13R1.135 CSC(C)C(=O)Nc1ccccc1 527a_100000106764_100000149566 [0,0,0,0,0,1|1,0,2]=4 871 B13R1.135 CSC(C)C(=O)Nc1ccccc1 62a_100000183986_200000210301 [0,0,0,0,0,1|1,0,2]=4 872 B13R1.135 CSC(C)C(=O)Nc1ccccc1 62a_200000210301_100000183986 [0,0,0,0,0,1|1,0,2]=4 873 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [1,0,1,0,0,0|2,0,0]=4 874 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [1,0,1,0,0,0|2,0,0]=4 875 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [2,0,0,0,0,0|2,0,0]=4 876 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [2,0,0,0,0,0|2,0,0]=4 877 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [2,0,0,0,0,0|2,0,0]=4 878 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [2,0,0,0,0,0|2,0,0]=4 879 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [2,0,0,0,0,0|2,0,0]=4 880 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [2,0,0,0,0,0|0,0,2]=4 881 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [2,0,0,0,0,0|2,0,0]=4 882 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 883 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [2,0,0,0,0,0|2,0,0]=4 884 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 885 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [2,0,0,0,0,0|2,0,0]=4 886 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 887 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 888 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 889 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 890 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [2,0,0,0,0,0|0,0,2]=4 891 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 892 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 893 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 894 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [2,0,0,0,0,0|1,0,0]=3 895 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [2,0,0,0,0,0|1,0,0]=3 896 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [2,0,0,0,0,0|1,0,0]=3 897 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [2,0,0,0,0,0|1,0,0]=3 898 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [2,0,0,0,0,0|2,0,0]=4 899 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [2,0,0,0,0,0|2,0,0]=4 900 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [2,0,0,0,0,0|2,0,0]=4 901 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [2,0,0,0,0,0|2,0,0]=4 902 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [2,0,0,0,0,0|2,0,0]=4 903 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [2,0,0,0,0,0|2,0,0]=4 904 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [2,0,0,0,0,0|1,0,0]=3 905 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|2,0,0]=4 906 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|2,0,0]=4 907 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|2,0,0]=4 908 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [2,0,0,0,0,0|2,0,0]=4 909 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [2,0,0,0,0,0|2,0,0]=4 910 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [2,0,0,0,0,0|1,0,0]=3 911 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|2,0,0]=4 912 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|2,0,0]=4 913 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|1,0,0]=3 914 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|2,0,0]=4 915 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|2,0,0]=4 916 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [2,0,0,0,0,0|2,0,0]=4 917 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|2,0,0]=4 918 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|2,0,0]=4 919 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|2,0,0]=4 920 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|2,0,0]=4 921 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|2,0,0]=4 922 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|2,0,0]=4 923 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|2,0,0]=4 924 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|2,0,0]=4 925 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|2,0,0]=4 926 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|2,0,0]=4 927 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|2,0,0]=4 928 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|2,0,0]=4 929 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|2,0,0]=4 930 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|2,0,0]=4 931 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|2,0,0]=4 932 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|0,0,0]=2 933 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|0,0,0]=2 934 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|0,0,0]=2 935 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|0,0,0]=2 936 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|0,0,0]=2 937 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [2,0,0,0,0,0|1,0,0]=3 938 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [2,0,0,0,0,0|1,0,0]=3 939 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [2,0,0,0,0,0|1,0,0]=3 940 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [2,0,0,0,0,0|1,0,0]=3 941 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [2,0,0,0,0,0|1,0,0]=3 942 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [2,0,0,0,0,0|1,0,0]=3 943 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [2,0,0,0,0,0|1,0,0]=3 944 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [2,0,0,0,0,0|1,0,0]=3 945 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 946 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|1,0,0]=3 947 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 948 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [2,0,0,0,0,0|2,0,0]=4 949 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [2,0,0,0,0,0|2,0,0]=4 950 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [2,0,0,0,0,0|2,0,0]=4 951 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|2,0,0]=4 952 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|2,0,0]=4 953 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|1,0,0]=3 954 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|1,0,0]=3 955 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [2,0,0,0,0,0|2,0,0]=4 956 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [2,0,0,0,0,0|2,0,0]=4 957 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [2,0,0,0,0,0|2,0,0]=4 958 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [2,0,0,0,0,0|2,0,0]=4 959 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [2,0,0,0,0,0|2,0,0]=4 960 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [2,0,0,0,0,0|2,0,0]=4 961 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [2,0,0,0,0,0|2,0,0]=4 962 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [2,0,0,0,0,0|2,0,0]=4 963 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [2,0,0,0,0,0|2,0,0]=4 964 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [2,0,0,0,0,0|2,0,0]=4 965 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [2,0,0,0,0,0|2,0,0]=4 966 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [2,0,0,0,0,0|2,0,0]=4 967 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|0,0,0]=2 968 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|0,0,0]=2 969 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [2,0,0,0,0,0|1,0,0]=3 970 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 971 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 972 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [2,0,0,0,0,0|2,0,0]=4 973 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [2,0,0,0,0,0|2,0,0]=4 974 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [2,0,0,0,0,0|2,0,0]=4 975 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|1,0,0]=3 976 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|1,0,0]=3 977 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [2,0,0,0,0,0|2,0,0]=4 978 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [2,0,0,0,0,0|2,0,0]=4 979 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [2,0,0,0,0,0|2,0,0]=4 980 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [2,0,0,0,0,0|2,0,0]=4 981 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [2,0,0,0,0,0|2,0,0]=4 982 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [2,0,0,0,0,0|2,0,0]=4 983 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [2,0,0,0,0,0|2,0,0]=4 984 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [2,0,0,0,0,0|2,0,0]=4 985 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [2,0,0,0,0,0|0,0,2]=4 986 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|1,0,1]=4 987 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [2,0,0,0,0,0|1,0,0]=3 988 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [2,0,0,0,0,0|1,0,0]=3 989 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [2,0,0,0,0,0|1,0,0]=3 990 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [2,0,0,0,0,0|2,0,0]=4 991 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [2,0,0,0,0,0|2,0,0]=4 992 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [2,0,0,0,0,0|2,0,0]=4 993 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [2,0,0,0,0,0|1,0,0]=3 994 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [2,0,0,0,0,0|1,0,0]=3 995 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [2,0,0,0,0,0|2,0,0]=4 996 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [2,0,0,0,0,0|2,0,0]=4 997 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [2,0,0,0,0,0|2,0,0]=4 998 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [2,0,0,0,0,0|2,0,0]=4 999 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [2,0,0,0,0,0|2,0,0]=4 1000 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [2,0,0,0,0,0|2,0,0]=4 1001 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [2,0,0,0,0,0|1,0,0]=3 1002 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [2,0,0,0,0,0|1,0,0]=3 1003 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [2,0,0,0,0,0|1,0,0]=3 1004 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [2,0,0,0,0,0|1,0,0]=3 1005 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [2,0,0,0,0,0|1,0,0]=3 1006 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [2,0,0,0,0,0|2,0,0]=4 1007 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [2,0,0,0,0,0|2,0,0]=4 1008 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [2,0,0,0,0,0|2,0,0]=4 1009 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [2,0,0,0,0,0|2,0,0]=4 1010 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [2,0,0,0,0,0|2,0,0]=4 1011 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1012 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [2,0,0,0,0,0|2,0,0]=4 1013 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1014 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [2,0,0,0,0,0|2,0,0]=4 1015 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [2,0,0,0,0,0|2,0,0]=4 1016 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [2,0,0,0,0,0|2,0,0]=4 1017 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [2,0,0,0,0,0|2,0,0]=4 1018 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [2,0,0,0,0,0|2,0,0]=4 1019 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [2,0,0,0,0,0|2,0,0]=4 1020 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [2,0,0,0,0,0|1,0,0]=3 1021 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [2,0,0,0,0,0|1,0,0]=3 1022 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [2,0,0,0,0,0|2,0,0]=4 1023 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [2,0,0,0,0,0|2,0,0]=4 1024 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1025 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1026 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [2,0,0,0,0,0|2,0,0]=4 1027 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [2,0,0,0,0,0|2,0,0]=4 1028 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [1,1,0,0,0,0|1,0,1]=4 1029 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [1,1,0,0,0,0|1,0,1]=4 1030 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [1,1,0,0,0,0|1,0,1]=4 1031 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [1,1,0,0,0,0|1,0,1]=4 1032 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,1,0,0,0,0|1,0,0]=3 1033 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,1,0,0,0,0|2,0,0]=4 1034 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1036 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1037 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1038 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [1,1,0,0,0,0|2,0,0]=4 1039 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1041 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1042 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [1,1,0,0,0,0|1,0,0]=3 1043 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [1,1,0,0,0,0|1,0,0]=3 1044 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [1,1,0,0,0,0|1,0,0]=3 1045 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [1,1,0,0,0,0|1,0,0]=3 1046 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 1047 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 1048 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [1,1,0,0,0,0|2,0,0]=4 1049 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 1050 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 1051 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1052 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1053 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1054 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1055 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1056 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 1057 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 1058 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [1,1,0,0,0,0|2,0,0]=4 1059 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 1060 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 1061 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1062 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [1,1,0,0,0,0|2,0,0]=4 1063 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 1064 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [1,1,0,0,0,0|1,0,1]=4 1066 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [1,1,0,0,0,0|1,0,0]=3 1067 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [1,1,0,0,0,0|1,0,0]=3 1068 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [1,1,0,0,0,0|0,0,2]=4 1069 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [1,1,0,0,0,0|0,0,2]=4 1070 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [1,1,0,0,0,0|0,0,2]=4 1071 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [1,1,0,0,0,0|0,0,2]=4 1072 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [1,1,0,0,0,0|0,0,2]=4 1073 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [1,1,0,0,0,0|0,0,2]=4 1074 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [1,1,0,0,0,0|0,0,2]=4 1075 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [1,1,0,0,0,0|0,0,2]=4 1076 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [1,1,0,0,0,0|0,0,2]=4 1077 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [1,1,0,0,0,0|0,0,2]=4 1078 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [1,1,0,0,0,0|0,0,2]=4 1079 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [1,1,0,0,0,0|1,0,0]=3 1080 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [1,1,0,0,0,0|0,0,0]=2 1081 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [1,1,0,0,0,0|0,0,0]=2 1082 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [1,1,0,0,0,0|0,0,0]=2 1083 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [1,1,0,0,0,0|0,0,0]=2 1084 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [1,1,0,0,0,0|0,0,0]=2 1085 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [1,1,0,0,0,0|0,0,0]=2 1086 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [1,1,0,0,0,0|0,0,0]=2 1087 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [1,1,0,0,0,0|0,0,0]=2 1088 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [1,1,0,0,0,0|0,0,0]=2 1089 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [1,1,0,0,0,0|0,0,0]=2 1090 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [1,1,0,0,0,0|0,0,0]=2 1091 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [1,1,0,0,0,0|0,0,0]=2 1092 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [1,1,0,0,0,0|0,0,0]=2 1093 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [1,1,0,0,0,0|2,0,0]=4 1094 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [1,1,0,0,0,0|2,0,0]=4 1095 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [1,1,0,0,0,0|1,0,0]=3 1096 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1097 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1098 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [1,1,0,0,0,0|1,0,0]=3 1099 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [1,1,0,0,0,0|1,0,0]=3 1100 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [1,1,0,0,0,0|1,0,0]=3 1101 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [1,1,0,0,0,0|1,0,0]=3 1102 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [1,1,0,0,0,0|1,0,0]=3 1103 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [1,1,0,0,0,0|0,0,0]=2 1104 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [1,1,0,0,0,0|0,0,0]=2 1105 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1106 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [1,1,0,0,0,0|0,0,0]=2 1107 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [1,1,0,0,0,0|0,0,0]=2 1108 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [1,1,0,0,0,0|0,0,0]=2 1109 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [1,1,0,0,0,0|0,0,0]=2 1110 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [1,1,0,0,0,0|0,0,0]=2 1111 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1114 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [1,1,0,0,0,0|1,0,0]=3 1115 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [1,1,0,0,0,0|1,0,0]=3 1116 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [1,1,0,0,0,0|1,0,0]=3 1117 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [1,1,0,0,0,0|1,0,0]=3 1118 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [1,1,0,0,0,0|0,0,2]=4 1119 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [1,1,0,0,0,0|0,0,2]=4 1120 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [1,1,0,0,0,0|0,0,2]=4 1121 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [1,1,0,0,0,0|0,0,2]=4 1122 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [1,1,0,0,0,0|0,0,2]=4 1123 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [1,1,0,0,0,0|0,0,2]=4 1124 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [1,1,0,0,0,0|0,0,2]=4 1125 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [1,1,0,0,0,0|0,0,2]=4 1126 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [1,1,0,0,0,0|0,0,2]=4 1127 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [1,1,0,0,0,0|0,0,2]=4 1128 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [1,1,0,0,0,0|0,0,2]=4 1129 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [1,1,0,0,0,0|0,0,2]=4 1130 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [1,1,0,0,0,0|0,0,2]=4 1131 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [1,1,0,0,0,0|0,0,0]=2 1132 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [1,1,0,0,0,0|0,0,0]=2 1133 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [1,1,0,0,0,0|0,0,0]=2 1134 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [1,1,0,0,0,0|2,0,0]=4 1135 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [1,1,0,0,0,0|2,0,0]=4 1136 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [1,1,0,0,0,0|2,0,0]=4 1138 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [1,1,0,0,0,0|2,0,0]=4 1139 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [1,1,0,0,0,0|0,0,0]=2 1140 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [1,1,0,0,0,0|0,0,0]=2 1141 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [1,1,0,0,0,0|2,0,0]=4 1142 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [1,1,0,0,0,0|2,0,0]=4 1143 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [1,1,0,0,0,0|2,0,0]=4 1144 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,1,0,0,0,0|1,0,0]=3 1145 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,1,0,0,0,0|2,0,0]=4 1146 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,1,0,0,0,0|2,0,0]=4 1147 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [1,1,0,0,0,0|2,0,0]=4 1148 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [1,1,0,0,0,0|2,0,0]=4 1149 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,1,0,0,0,0|2,0,0]=4 1150 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,1,0,0,0,0|2,0,0]=4 1151 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,1,0,0,0,0|2,0,0]=4 1152 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,1,0,0,0,0|2,0,0]=4 1153 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,1,0,0,0,0|2,0,0]=4 1154 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,1,0,0,0,0|2,0,0]=4 1155 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,1,0,0,0,0|2,0,0]=4 1156 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,1,0,0,0,0|1,0,0]=3 1157 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,1,0,0,0,0|1,0,0]=3 1158 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,1,0,0,0,0|1,0,0]=3 1159 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,1,0,0,0,0|1,0,0]=3 1160 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [1,1,0,0,0,0|0,0,0]=2 1161 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [1,1,0,0,0,0|0,0,0]=2 1162 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [1,1,0,0,0,0|1,0,0]=3 1163 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [1,1,0,0,0,0|1,0,0]=3 1164 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [1,1,0,0,0,0|0,0,0]=2 1165 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,1,0,0,0,0|2,0,0]=4 1166 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,1,0,0,0,0|2,0,0]=4 1167 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,1,0,0,0,0|2,0,0]=4 1168 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [1,1,0,0,0,0|1,0,0]=3 1169 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 1170 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [1,1,0,0,0,0|1,0,0]=3 1171 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [1,1,0,0,0,0|2,0,0]=4 1172 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [1,1,0,0,0,0|2,0,0]=4 1173 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [1,1,0,0,0,0|1,0,0]=3 1174 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [1,1,0,0,0,0|1,0,0]=3 1175 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [1,1,0,0,0,0|1,0,0]=3 1176 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [1,1,0,0,0,0|1,0,0]=3 1177 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [1,1,0,0,0,0|0,0,2]=4 1178 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [1,1,0,0,0,0|0,0,2]=4 1179 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,1,0,0,0,0|1,0,0]=3 1180 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,1,0,0,0,0|0,0,0]=2 1181 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [1,1,0,0,0,0|1,0,1]=4 1182 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [1,1,0,0,0,0|1,0,1]=4 1183 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,1,0,0,0,0|0,0,0]=2 1184 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,1,0,0,0,0|0,0,0]=2 1185 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,1,0,0,0,0|0,0,0]=2 1186 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [1,1,0,0,0,0|0,0,2]=4 1187 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,1,0,0,0,0|1,0,0]=3 1188 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [1,1,0,0,0,0|2,0,0]=4 1189 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,1,0,0,0,0|2,0,0]=4 1190 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [1,1,0,0,0,0|2,0,0]=4 1191 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [1,1,0,0,0,0|2,0,0]=4 1192 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,1,0,0,0,0|1,0,0]=3 1193 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,1,0,0,0,0|1,0,0]=3 1194 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,1,0,0,0,0|2,0,0]=4 1195 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [1,1,0,0,0,0|2,0,0]=4 1196 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [1,1,0,0,0,0|2,0,0]=4 1197 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [1,1,0,0,0,0|2,0,0]=4 1198 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [1,1,0,0,0,0|2,0,0]=4 1199 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [1,1,0,0,0,0|1,0,0]=3 1200 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [1,1,0,0,0,0|1,0,0]=3 1201 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [1,1,0,0,0,0|1,0,0]=3 1202 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [1,1,0,0,0,0|1,0,0]=3 1203 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,1,0,0,0,0|0,0,0]=2 1204 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [1,1,0,0,0,0|2,0,0]=4 1205 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,1,0,0,0,0|1,0,0]=3 1206 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,1,0,0,0,0|1,0,0]=3 1207 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [1,1,0,0,0,0|1,0,0]=3 1208 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [1,1,0,0,0,0|2,0,0]=4 1209 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [1,1,0,0,0,0|2,0,0]=4 1210 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [1,1,0,0,0,0|2,0,0]=4 1211 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [1,1,0,0,0,0|0,0,0]=2 1212 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [1,1,0,0,0,0|1,0,0]=3 1213 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [1,1,0,0,0,0|0,0,0]=2 1214 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [1,1,0,0,0,0|1,0,0]=3 1215 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [1,1,0,0,0,0|1,0,0]=3 1216 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [1,1,0,0,0,0|1,0,1]=4 1217 B12R1.39 CNC[Si](C)(C)c1ccccc1 2230a_106832991635_100000038972 [1,1,0,0,0,0|1,1,0]=4 1218 B12R1.39 CNC[Si](C)(C)c1ccccc1 7a_106832991635_100000038972 [1,1,0,0,0,0|1,1,0]=4 1219 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [1,1,0,0,0,0|2,0,0]=4 1220 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [1,1,0,0,0,0|2,0,0]=4 1221 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [1,1,0,0,0,0|2,0,0]=4 1222 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [1,1,0,0,0,0|2,0,0]=4 1223 B12R1.39 CSCC(F)(F)c1ccccc1 62a_100009875531_200000210301 [1,1,0,0,0,0|2,0,0]=4 1224 B12R1.39 CSCC(F)(F)c1ccccc1 62a_200000210301_100009875531 [1,1,0,0,0,0|2,0,0]=4 1225 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [1,1,0,0,0,0|1,0,0]=3 1226 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_100009875531_200025704644 [1,1,0,0,0,0|2,0,0]=4 1227 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_200025704644_100009875531 [1,1,0,0,0,0|2,0,0]=4 1228 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,1,0,0,0,0|2,0,0]=4 1229 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,1,0,0,0,0|2,0,0]=4 1230 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,1,0,0,0,0|1,0,0]=3 1231 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,1,0,0,0,0|1,0,0]=3 1232 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,1,0,0,0,0|1,0,0]=3 1233 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,1,0,0,0,0|2,0,0]=4 1234 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,1,0,0,0,0|2,0,0]=4 1235 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [1,1,0,0,0,0|1,0,0]=3 1236 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [1,1,0,0,0,0|1,0,0]=3 1237 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [1,1,0,0,0,0|1,0,0]=3 1238 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [1,1,0,0,0,0|0,0,2]=4 1239 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [1,1,0,0,0,0|0,0,0]=2 1240 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [1,1,0,0,0,0|0,0,0]=2 1241 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [1,1,0,0,0,0|0,0,0]=2 1242 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [1,1,0,0,0,0|1,0,1]=4 1243 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [1,1,0,0,0,0|0,0,0]=2 1244 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [1,1,0,0,0,0|0,0,0]=2 1245 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [1,1,0,0,0,0|0,0,0]=2 1246 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,1,0,0,0,0|1,0,0]=3 1247 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [1,1,0,0,0,0|0,0,2]=4 1248 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [1,1,0,0,0,0|0,0,2]=4 1249 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [1,1,0,0,0,0|0,0,2]=4 1250 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [1,1,0,0,0,0|0,0,2]=4 1251 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [1,1,0,0,0,0|0,0,2]=4 1252 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [1,1,0,0,0,0|0,0,2]=4 1253 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [1,1,0,0,0,0|0,0,2]=4 1254 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [1,1,0,0,0,0|0,0,2]=4 1255 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [1,1,0,0,0,0|0,0,0]=2 1256 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [1,1,0,0,0,0|0,0,0]=2 1257 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [1,1,0,0,0,0|0,0,0]=2 1258 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [1,1,0,0,0,0|2,0,0]=4 1259 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [1,1,0,0,0,0|2,0,0]=4 1260 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [1,1,0,0,0,0|2,0,0]=4 1261 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [1,1,0,0,0,0|0,0,0]=2 1262 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [1,1,0,0,0,0|0,0,0]=2 1263 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [1,1,0,0,0,0|0,0,0]=2 1264 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [1,1,0,0,0,0|2,0,0]=4 1265 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [1,1,0,0,0,0|2,0,0]=4 1266 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [1,1,0,0,0,0|2,0,0]=4 1267 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [1,1,0,0,0,0|1,0,1]=4 1268 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [1,1,0,0,0,0|1,0,1]=4 1269 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [1,1,0,0,0,0|1,0,1]=4 1270 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [1,1,0,0,0,0|1,0,1]=4 1271 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [1,1,0,0,0,0|1,0,1]=4 1272 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [1,1,0,0,0,0|0,0,2]=4 1273 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [1,1,0,0,0,0|0,0,2]=4 1274 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [1,1,0,0,0,0|0,0,2]=4 1275 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [1,1,0,0,0,0|0,0,2]=4 1276 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [1,1,0,0,0,0|0,0,2]=4 1277 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [1,1,0,0,0,0|0,0,2]=4 1278 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100000210206 [1,1,0,0,0,0|2,0,0]=4 1279 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 2230a_100000219625_200000210301 [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100000210206 [1,1,0,0,0,0|2,0,0]=4 1281 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 269982a_100000219625_200000210301 [1,1,0,0,0,0|2,0,0]=4 1282 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 34a_100000219623_100000210206 [1,1,0,0,0,0|2,0,0]=4 1283 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 34a_100000219625_200000210301 [1,1,0,0,0,0|2,0,0]=4 1284 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 7a_100000219625_200000210301 [1,1,0,0,0,0|2,0,0]=4 1285 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 2230a_100000749197_200000210301 [1,1,0,0,0,0|2,0,0]=4 1286 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000210206 [1,1,0,0,0,0|2,0,0]=4 1287 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 269982a_100000749197_200000210301 [1,1,0,0,0,0|2,0,0]=4 1288 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000210206 [1,1,0,0,0,0|2,0,0]=4 1289 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 34a_100000749197_200000210301 [1,1,0,0,0,0|2,0,0]=4 1290 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100000210206 [1,1,0,0,0,0|2,0,0]=4 1291 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 7a_100000749197_200000210301 [1,1,0,0,0,0|2,0,0]=4 1292 B12R1.20 CC(C)N(C)c1ccc(cc1)F 2230a_100000219829_100000210206 [1,1,0,0,0,0|2,0,0]=4 1293 B12R1.20 CC(C)N(C)c1ccc(cc1)F 2230a_100000219830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1294 B12R1.20 CC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100000210206 [1,1,0,0,0,0|2,0,0]=4 1295 B12R1.20 CC(C)N(C)c1ccc(cc1)F 269982a_100000219830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1296 B12R1.20 CC(C)N(C)c1ccc(cc1)F 34a_100000219829_100000210206 [1,1,0,0,0,0|2,0,0]=4 1297 B12R1.20 CC(C)N(C)c1ccc(cc1)F 34a_100000219830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1298 B12R1.20 CC(C)N(C)c1ccc(cc1)F 7a_100000219830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1299 B12R1.20 CC(C)N(C)c1ccc(cc1)I 2230a_100000743151_100000210206 [1,1,0,0,0,0|2,0,0]=4 1300 B12R1.20 CC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100000210206 [1,1,0,0,0,0|2,0,0]=4 1301 B12R1.20 CC(C)N(C)c1ccc(cc1)I 34a_100000743151_100000210206 [1,1,0,0,0,0|2,0,0]=4 1302 B12R1.20 CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000210206 [1,1,0,0,0,0|2,0,0]=4 1303 B12R1.20 CC(C)N(C)c1ccc(cc1)O 34a_100000182112_100000210206 [1,1,0,0,0,0|2,0,0]=4 1304 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 2230a_100000219625_200025704644 [1,1,0,0,0,0|2,0,0]=4 1305 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 269982a_100000219625_200025704644 [1,1,0,0,0,0|2,0,0]=4 1306 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 34a_100000219625_200025704644 [1,1,0,0,0,0|2,0,0]=4 1307 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 7a_100000219625_200025704644 [1,1,0,0,0,0|2,0,0]=4 1308 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 2230a_100000749197_200025704644 [1,1,0,0,0,0|2,0,0]=4 1309 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 269982a_100000749197_200025704644 [1,1,0,0,0,0|2,0,0]=4 1310 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 34a_100000749197_200025704644 [1,1,0,0,0,0|2,0,0]=4 1311 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 7a_100000749197_200025704644 [1,1,0,0,0,0|2,0,0]=4 1312 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 2230a_100000219830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1313 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 269982a_100000219830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1314 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 34a_100000219830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1315 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 7a_100000219830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B12R1.20 CC(C)S(=O)c1ccc(cc1)O 271570a_203496583355_100010749287 [1,1,0,0,0,0|1,0,1]=4 1317 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [1,1,0,0,0,0|1,0,0]=3 1318 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [1,1,0,0,0,0|2,0,0]=4 1319 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [1,1,0,0,0,0|2,0,0]=4 1320 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [1,1,0,0,0,0|2,0,0]=4 1321 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [1,1,0,0,0,0|2,0,0]=4 1322 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [1,1,0,0,0,0|2,0,0]=4 1323 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [1,1,0,0,0,0|2,0,0]=4 1324 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1325 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [1,1,0,0,0,0|2,0,0]=4 1326 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1327 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [1,1,0,0,0,0|2,0,0]=4 1328 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1329 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1330 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [1,1,0,0,0,0|2,0,0]=4 1331 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [1,1,0,0,0,0|2,0,0]=4 1332 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [1,1,0,0,0,0|2,0,0]=4 1333 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [1,1,0,0,0,0|2,0,0]=4 1334 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [1,1,0,0,0,0|2,0,0]=4 1335 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [1,1,0,0,0,0|2,0,0]=4 1336 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [1,1,0,0,0,0|2,0,0]=4 1337 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [1,1,0,0,0,0|2,0,0]=4 1338 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [1,1,0,0,0,0|0,0,2]=4 1339 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [1,1,0,0,0,0|2,0,0]=4 1340 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [1,1,0,0,0,0|2,0,0]=4 1341 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000219977_100000210206 [1,1,0,0,0,0|2,0,0]=4 1342 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000748792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1343 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000219977_100000210206 [1,1,0,0,0,0|2,0,0]=4 1344 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000748792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1345 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000219977_100000210206 [1,1,0,0,0,0|2,0,0]=4 1346 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000748792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1347 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 7a_100000748792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1348 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 2230a_100000748792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1349 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 269982a_100000748792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1350 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 34a_100000748792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1351 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 7a_100000748792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1352 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [1,1,0,0,0,0|1,0,1]=4 1353 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [1,1,0,0,0,0|1,0,1]=4 1354 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [1,1,0,0,0,0|1,0,1]=4 1355 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [1,1,0,0,0,0|1,0,1]=4 1356 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [1,1,0,0,0,0|1,0,1]=4 1357 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [1,1,0,0,0,0|1,0,1]=4 1358 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [1,1,0,0,0,0|1,0,1]=4 1359 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [1,1,0,0,0,0|1,0,1]=4 1360 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [1,1,0,0,0,0|0,0,2]=4 1361 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [1,1,0,0,0,0|0,0,2]=4 1362 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [1,1,0,0,0,0|0,0,2]=4 1363 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [1,1,0,0,0,0|0,0,2]=4 1364 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [1,1,0,0,0,0|0,0,2]=4 1365 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [1,1,0,0,0,0|0,0,2]=4 1366 B12R1.124 CC(C)N(C)c1ccccc1Br 2230a_100020606079_100000210206 [1,1,0,0,0,0|2,0,0]=4 1367 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100000219599_200000210301 [1,1,0,0,0,0|2,0,0]=4 1368 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100020606079_100000210206 [1,1,0,0,0,0|2,0,0]=4 1369 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100000219599_200000210301 [1,1,0,0,0,0|2,0,0]=4 1370 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100020606079_100000210206 [1,1,0,0,0,0|2,0,0]=4 1371 B12R1.124 CC(C)N(C)c1ccccc1Br 7a_100000219599_200000210301 [1,1,0,0,0,0|2,0,0]=4 1372 B12R1.124 CC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000210206 [1,1,0,0,0,0|2,0,0]=4 1373 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000210206 [1,1,0,0,0,0|2,0,0]=4 1374 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219376_200000210301 [1,1,0,0,0,0|2,0,0]=4 1375 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219374_100000210206 [1,1,0,0,0,0|2,0,0]=4 1376 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219376_200000210301 [1,1,0,0,0,0|2,0,0]=4 1377 B12R1.124 CC(C)N(C)c1ccccc1Cl 7a_100000219376_200000210301 [1,1,0,0,0,0|2,0,0]=4 1378 B12R1.124 CC(C)N(C)c1ccccc1F 2230a_100000220357_100000210206 [1,1,0,0,0,0|2,0,0]=4 1379 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220357_100000210206 [1,1,0,0,0,0|2,0,0]=4 1380 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1381 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220357_100000210206 [1,1,0,0,0,0|2,0,0]=4 1382 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1383 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220357_100000210206 [1,1,0,0,0,0|2,0,0]=4 1384 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1385 B12R1.124 CC(C)N(C)c1ccccc1F 7a_100000220358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1386 B12R1.124 CC(C)N(C)c1ccccc1O 269982a_100000033821_100000210206 [1,1,0,0,0,0|2,0,0]=4 1387 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 269982a_100000219599_200025704644 [1,1,0,0,0,0|2,0,0]=4 1388 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 34a_100000219599_200025704644 [1,1,0,0,0,0|2,0,0]=4 1389 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 7a_100000219599_200025704644 [1,1,0,0,0,0|2,0,0]=4 1390 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 269982a_100000219376_200025704644 [1,1,0,0,0,0|2,0,0]=4 1391 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 34a_100000219376_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 7a_100000219376_200025704644 [1,1,0,0,0,0|2,0,0]=4 1393 B12R1.124 CC(C)N([13CH3])c1ccccc1F 269982a_100000220358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1394 B12R1.124 CC(C)N([13CH3])c1ccccc1F 34a_100000220358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1395 B12R1.124 CC(C)N([13CH3])c1ccccc1F 38a_100000220358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1396 B12R1.124 CC(C)N([13CH3])c1ccccc1F 7a_100000220358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1397 B12R1.124 CC(c1ccccc1Br)N(C)C 2230a_100000692418_200000210301 [1,1,0,0,0,0|2,0,0]=4 1398 B12R1.124 CC(c1ccccc1Br)N(C)C 269982a_100000692418_200000210301 [1,1,0,0,0,0|2,0,0]=4 1399 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 2230a_100000692418_200025704644 [1,1,0,0,0,0|2,0,0]=4 1400 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 269982a_100000692418_200025704644 [1,1,0,0,0,0|2,0,0]=4 1401 B12R1.124 CC(c1ccccc1Cl)N(C)C 2230a_100102631434_100000181259 [1,1,0,0,0,0|2,0,0]=4 1402 B12R1.124 CC(c1ccccc1Cl)N(C)C 269982a_100102631434_100000181259 [1,1,0,0,0,0|2,0,0]=4 1403 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100000231110_200000210301 [1,1,0,0,0,0|2,0,0]=4 1404 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100102631434_200000741388 [1,1,0,0,0,0|2,0,0]=4 1405 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100000231110_200000210301 [1,1,0,0,0,0|2,0,0]=4 1406 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100102631434_200000741388 [1,1,0,0,0,0|2,0,0]=4 1407 B12R1.124 CC(c1ccccc1F)N(C)C 34a_100000231110_200000210301 [1,1,0,0,0,0|2,0,0]=4 1408 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 2230a_100000231110_200025704644 [1,1,0,0,0,0|2,0,0]=4 1409 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 269982a_100000231110_200025704644 [1,1,0,0,0,0|2,0,0]=4 1410 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 34a_100000231110_200025704644 [1,1,0,0,0,0|2,0,0]=4 1411 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [1,1,0,0,0,0|0,0,2]=4 1412 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219699_100000210206 [1,1,0,0,0,0|2,0,0]=4 1413 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219700_200000210301 [1,1,0,0,0,0|2,0,0]=4 1414 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219699_100000210206 [1,1,0,0,0,0|2,0,0]=4 1415 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219700_200000210301 [1,1,0,0,0,0|2,0,0]=4 1416 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219699_100000210206 [1,1,0,0,0,0|2,0,0]=4 1417 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219700_200000210301 [1,1,0,0,0,0|2,0,0]=4 1418 B12R1.124 Cc1ccccc1N(C)C(C)C 7a_100000219700_200000210301 [1,1,0,0,0,0|2,0,0]=4 1419 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 2230a_100000219700_200025704644 [1,1,0,0,0,0|2,0,0]=4 1420 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 269982a_100000219700_200025704644 [1,1,0,0,0,0|2,0,0]=4 1421 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 34a_100000219700_200025704644 [1,1,0,0,0,0|2,0,0]=4 1422 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 7a_100000219700_200025704644 [1,1,0,0,0,0|2,0,0]=4 1423 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [1,1,0,0,0,0|1,0,1]=4 1424 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [1,1,0,0,0,0|1,0,1]=4 1425 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [1,1,0,0,0,0|1,0,1]=4 1426 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [1,1,0,0,0,0|1,0,1]=4 1427 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [1,1,0,0,0,0|1,0,1]=4 1428 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [1,1,0,0,0,0|1,0,1]=4 1429 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [1,1,0,0,0,0|0,0,2]=4 1430 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [1,1,0,0,0,0|0,0,2]=4 1431 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [1,1,0,0,0,0|0,0,2]=4 1432 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [1,1,0,0,0,0|0,0,2]=4 1433 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [1,1,0,0,0,0|0,0,2]=4 1434 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [1,1,0,0,0,0|0,0,2]=4 1435 B12R1.225 CC(C)N(C)c1cccc(c1)Br 2230a_100000219648_100000210206 [1,1,0,0,0,0|2,0,0]=4 1436 B12R1.225 CC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100000210206 [1,1,0,0,0,0|2,0,0]=4 1437 B12R1.225 CC(C)N(C)c1cccc(c1)Br 269982a_100000219649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1438 B12R1.225 CC(C)N(C)c1cccc(c1)Br 34a_100000219648_100000210206 [1,1,0,0,0,0|2,0,0]=4 1439 B12R1.225 CC(C)N(C)c1cccc(c1)Br 34a_100000219649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1440 B12R1.225 CC(C)N(C)c1cccc(c1)Br 7a_100000219649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1441 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100000210206 [1,1,0,0,0,0|2,0,0]=4 1442 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100000210206 [1,1,0,0,0,0|2,0,0]=4 1443 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 34a_100000220044_100000210206 [1,1,0,0,0,0|2,0,0]=4 1444 B12R1.225 CC(C)N(C)c1cccc(c1)F 2230a_100000220071_200000210301 [1,1,0,0,0,0|2,0,0]=4 1445 B12R1.225 CC(C)N(C)c1cccc(c1)F 2230a_100020633736_100000210206 [1,1,0,0,0,0|2,0,0]=4 1446 B12R1.225 CC(C)N(C)c1cccc(c1)F 269982a_100000220071_200000210301 [1,1,0,0,0,0|2,0,0]=4 1447 B12R1.225 CC(C)N(C)c1cccc(c1)F 269982a_100020633736_100000210206 [1,1,0,0,0,0|2,0,0]=4 1448 B12R1.225 CC(C)N(C)c1cccc(c1)F 34a_100000220071_200000210301 [1,1,0,0,0,0|2,0,0]=4 1449 B12R1.225 CC(C)N(C)c1cccc(c1)F 34a_100020633736_100000210206 [1,1,0,0,0,0|2,0,0]=4 1450 B12R1.225 CC(C)N(C)c1cccc(c1)F 7a_100000220071_200000210301 [1,1,0,0,0,0|2,0,0]=4 1451 B12R1.225 CC(C)N(C)c1cccc(c1)I 2230a_100000221217_100000210206 [1,1,0,0,0,0|2,0,0]=4 1452 B12R1.225 CC(C)N(C)c1cccc(c1)I 269982a_100000221217_100000210206 [1,1,0,0,0,0|2,0,0]=4 1453 B12R1.225 CC(C)N(C)c1cccc(c1)I 34a_100000221217_100000210206 [1,1,0,0,0,0|2,0,0]=4 1454 B12R1.225 CC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000210206 [1,1,0,0,0,0|2,0,0]=4 1455 B12R1.225 CC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000210206 [1,1,0,0,0,0|2,0,0]=4 1456 B12R1.225 CC(C)N(C)c1cccc(c1)O 34a_100000756613_100000210206 [1,1,0,0,0,0|2,0,0]=4 1457 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 269982a_100000219649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1458 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 34a_100000219649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1459 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 7a_100000219649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1460 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 2230a_100000220071_200025704644 [1,1,0,0,0,0|2,0,0]=4 1461 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 269982a_100000220071_200025704644 [1,1,0,0,0,0|2,0,0]=4 1462 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 34a_100000220071_200025704644 [1,1,0,0,0,0|2,0,0]=4 1463 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 7a_100000220071_200025704644 [1,1,0,0,0,0|2,0,0]=4 1464 B12R1.225 CC(c1cccc(c1)Br)N(C)C 2230a_100025717457_200000210301 [1,1,0,0,0,0|2,0,0]=4 1465 B12R1.225 CC(c1cccc(c1)Br)N(C)C 269982a_100025717457_200000210301 [1,1,0,0,0,0|2,0,0]=4 1466 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 2230a_100025717457_200025704644 [1,1,0,0,0,0|2,0,0]=4 1467 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 269982a_100025717457_200025704644 [1,1,0,0,0,0|2,0,0]=4 1468 B12R1.225 CC(c1cccc(c1)F)N(C)C 2230a_100000231114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1469 B12R1.225 CC(c1cccc(c1)F)N(C)C 269982a_100000231114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1470 B12R1.225 CC(c1cccc(c1)F)N(C)C 34a_100000231114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1471 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 2230a_100000231114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1472 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 269982a_100000231114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1473 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 34a_100000231114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1474 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [1,1,0,0,0,0|0,0,2]=4 1475 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [1,1,0,0,0,0|1,0,1]=4 1476 B12R1.225 Cc1cccc(c1)N(C)C(C)C 2230a_100000219674_100000210206 [1,1,0,0,0,0|2,0,0]=4 1477 B12R1.225 Cc1cccc(c1)N(C)C(C)C 269982a_100000219674_100000210206 [1,1,0,0,0,0|2,0,0]=4 1478 B12R1.225 Cc1cccc(c1)N(C)C(C)C 34a_100000219674_100000210206 [1,1,0,0,0,0|2,0,0]=4 1479 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [1,1,0,0,0,0|1,0,1]=4 1480 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [1,1,0,0,0,0|1,0,1]=4 1481 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [1,1,0,0,0,0|1,0,1]=4 1482 B12R1.253 CN(C)C(C)(C)c1ccccc1 2230a_100102631434_100000034625 [1,1,0,0,0,0|2,0,0]=4 1483 B12R1.253 CN(C)C(C)(C)c1ccccc1 269982a_100102631434_100000034625 [1,1,0,0,0,0|2,0,0]=4 1484 B12R1.253 CN(C)C(F)(F)c1ccccc1 269982a_100102631434_100000036403 [1,1,0,0,0,0|2,0,0]=4 1485 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [1,1,0,0,0,0|1,0,1]=4 1486 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [1,1,0,0,0,0|0,0,2]=4 1487 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [1,1,0,0,0,0|0,0,2]=4 1488 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [1,1,0,0,0,0|0,0,2]=4 1489 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [1,1,0,0,0,0|0,0,2]=4 1490 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [1,1,0,0,0,0|2,0,0]=4 1491 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [1,1,0,0,0,0|2,0,0]=4 1492 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [1,1,0,0,0,0|1,0,1]=4 1493 B12R1.478 CC(C)C(N[13CH3])c1ccccn1 2230a_100015183375_200025704644 [1,1,0,0,0,0|2,0,0]=4 1494 B12R1.478 CC(C)C(N[13CH3])c1cccnc1 2230a_100015185317_200025704644 [1,1,0,0,0,0|2,0,0]=4 1495 B12R1.478 CC(C)C(N[13CH3])c1ccncc1 2230a_100000755331_200025704644 [1,1,0,0,0,0|2,0,0]=4 1496 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [1,1,0,0,0,0|0,0,0]=2 1497 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [1,1,0,0,0,0|0,0,0]=2 1498 B12R1.478 CC(C)N(CF)c1ccccc1 269982a_100000210572_100015361967 [1,1,0,0,0,0|2,0,0]=4 1499 B12R1.478 CC(C)N(CF)c1ccccc1 34a_100000210572_100015361967 [1,1,0,0,0,0|2,0,0]=4 1500 B12R1.478 CC(C)N(CF)c1ccccc1 7a_100000210572_100015361967 [1,1,0,0,0,0|2,0,0]=4 1501 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [1,1,0,0,0,0|1,0,0]=3 1502 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [1,1,0,0,0,0|1,0,0]=3 1503 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [1,1,0,0,0,0|2,0,0]=4 1504 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [1,1,0,0,0,0|2,0,0]=4 1505 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [1,1,0,0,0,0|2,0,0]=4 1506 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [1,1,0,0,0,0|2,0,0]=4 1507 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210013_100000210206 [1,1,0,0,0,0|2,0,0]=4 1508 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210202 [1,1,0,0,0,0|2,0,0]=4 1509 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210013_100000210206 [1,1,0,0,0,0|2,0,0]=4 1510 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210572_100000204670 [1,1,0,0,0,0|2,0,0]=4 1511 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210013_100000210206 [1,1,0,0,0,0|2,0,0]=4 1512 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210572_100000210202 [1,1,0,0,0,0|2,0,0]=4 1513 B12R1.478 CCN(c1ccccc1)C(C)C 7a_100000210572_100000210202 [1,1,0,0,0,0|2,0,0]=4 1514 B12R1.478 CNC(c1ccccn1)C(C)C 2230a_100015183375_200000210301 [1,1,0,0,0,0|2,0,0]=4 1515 B12R1.478 CNC(c1ccccn1)C(C)C 269862a_106832991636_100011350566 [1,1,0,0,0,0|2,0,0]=4 1516 B12R1.478 CNC(c1cccnc1)C(C)C 2230a_100015185317_200000210301 [1,1,0,0,0,0|2,0,0]=4 1517 B12R1.478 CNC(c1ccncc1)C(C)C 2230a_100000755331_200000210301 [1,1,0,0,0,0|2,0,0]=4 1518 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [1,1,0,0,0,0|2,0,0]=4 1519 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [1,1,0,0,0,0|1,0,0]=3 1520 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [1,1,0,0,0,0|1,0,0]=3 1521 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [1,1,0,0,0,0|1,0,1]=4 1522 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [1,1,0,0,0,0|1,0,1]=4 1523 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [1,1,0,0,0,0|0,0,0]=2 1524 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [1,1,0,0,0,0|0,0,0]=2 1525 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1526 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1527 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [1,1,0,0,0,0|2,0,0]=4 1528 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1529 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [1,1,0,0,0,0|1,0,1]=4 1530 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [1,1,0,0,0,0|1,0,1]=4 1531 B12R1.564 CN(c1ccccc1)C(C)(C)C 269982a_100000210012_100000210625 [1,1,0,0,0,0|2,0,0]=4 1532 B12R1.564 CN(c1ccccc1)C(C)(C)C 34a_100000210012_100000210625 [1,1,0,0,0,0|2,0,0]=4 1533 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [1,1,0,0,0,0|2,0,0]=4 1534 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [1,1,0,0,0,0|2,0,0]=4 1535 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [1,1,0,0,0,0|2,0,0]=4 1536 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [1,1,0,0,0,0|2,0,0]=4 1537 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [1,1,0,0,0,0|2,0,0]=4 1538 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [1,1,0,0,0,0|1,0,0]=3 1539 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [1,1,0,0,0,0|1,0,0]=3 1540 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [1,1,0,0,0,0|2,0,0]=4 1541 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,1,0,0,0,0|1,0,0]=3 1542 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,1,0,0,0,0|1,0,0]=3 1543 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [1,1,0,0,0,0|2,0,0]=4 1544 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [1,1,0,0,0,0|2,0,0]=4 1545 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [1,1,0,0,0,0|1,0,0]=3 1546 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [1,1,0,0,0,0|1,0,0]=3 1547 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [1,1,0,0,0,0|1,0,0]=3 1548 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [1,1,0,0,0,0|1,0,0]=3 1549 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [1,1,0,0,0,0|2,0,0]=4 1550 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [1,1,0,0,0,0|2,0,0]=4 1551 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [1,1,0,0,0,0|2,0,0]=4 1552 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [1,1,0,0,0,0|2,0,0]=4 1553 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [1,1,0,0,0,0|2,0,0]=4 1554 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [1,1,0,0,0,0|2,0,0]=4 1555 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [1,1,0,0,0,0|2,0,0]=4 1556 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [1,1,0,0,0,0|2,0,0]=4 1557 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [1,1,0,0,0,0|2,0,0]=4 1558 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [1,1,0,0,0,0|2,0,0]=4 1559 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [1,1,0,0,0,0|2,0,0]=4 1560 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [1,1,0,0,0,0|2,0,0]=4 1561 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [1,1,0,0,0,0|2,0,0]=4 1562 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [1,1,0,0,0,0|2,0,0]=4 1563 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [1,1,0,0,0,0|1,0,0]=3 1564 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [1,1,0,0,0,0|1,0,0]=3 1565 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [1,1,0,0,0,0|1,0,0]=3 1566 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [1,1,0,0,0,0|1,0,0]=3 1567 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [1,1,0,0,0,0|1,0,0]=3 1568 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [1,1,0,0,0,0|2,0,0]=4 1569 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [1,1,0,0,0,0|2,0,0]=4 1570 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [1,1,0,0,0,0|1,0,0]=3 1571 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [1,1,0,0,0,0|1,0,0]=3 1572 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [1,1,0,0,0,0|1,0,0]=3 1573 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [1,1,0,0,0,0|1,0,0]=3 1574 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [1,1,0,0,0,0|1,0,0]=3 1575 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [1,1,0,0,0,0|2,0,0]=4 1576 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [1,1,0,0,0,0|2,0,0]=4 1577 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [1,1,0,0,0,0|2,0,0]=4 1578 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [1,1,0,0,0,0|2,0,0]=4 1579 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [1,1,0,0,0,0|2,0,0]=4 1580 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [1,1,0,0,0,0|2,0,0]=4 1581 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [1,1,0,0,0,0|2,0,0]=4 1582 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [1,1,0,0,0,0|2,0,0]=4 1583 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [1,1,0,0,0,0|2,0,0]=4 1584 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [1,1,0,0,0,0|1,0,1]=4 1585 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [1,1,0,0,0,0|1,0,1]=4 1586 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [1,1,0,0,0,0|1,0,0]=3 1587 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [1,1,0,0,0,0|1,0,0]=3 1588 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [1,1,0,0,0,0|2,0,0]=4 1589 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [1,1,0,0,0,0|1,0,0]=3 1590 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [1,1,0,0,0,0|1,0,0]=3 1591 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [1,1,0,0,0,0|1,0,0]=3 1592 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [1,1,0,0,0,0|1,0,0]=3 1593 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,1,0,0,0,0|1,0,0]=3 1594 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,1,0,0,0,0|1,0,0]=3 1595 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [1,1,0,0,0,0|2,0,0]=4 1596 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [1,1,0,0,0,0|2,0,0]=4 1597 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [1,1,0,0,0,0|2,0,0]=4 1598 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [1,1,0,0,0,0|2,0,0]=4 1599 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [1,1,0,0,0,0|2,0,0]=4 1600 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [1,1,0,0,0,0|2,0,0]=4 1601 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [1,1,0,0,0,0|2,0,0]=4 1602 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,1,0,0,0,0|2,0,0]=4 1603 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [1,1,0,0,0,0|2,0,0]=4 1604 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [1,1,0,0,0,0|2,0,0]=4 1605 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,1,0,0,0,0|2,0,0]=4 1606 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [1,1,0,0,0,0|2,0,0]=4 1607 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [1,1,0,0,0,0|2,0,0]=4 1608 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1609 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [1,1,0,0,0,0|2,0,0]=4 1610 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [1,1,0,0,0,0|2,0,0]=4 1611 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [1,1,0,0,0,0|2,0,0]=4 1612 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [1,1,0,0,0,0|1,0,0]=3 1613 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,1,0,0,0,0|2,0,0]=4 1614 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1615 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [1,1,0,0,0,0|2,0,0]=4 1616 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,1,0,0,0,0|1,0,0]=3 1617 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,1,0,0,0,0|1,0,0]=3 1618 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1619 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,1,0,0,0,0|2,0,0]=4 1620 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,1,0,0,0,0|2,0,0]=4 1621 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,1,0,0,0,0|2,0,0]=4 1622 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,1,0,0,0,0|2,0,0]=4 1623 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,1,0,0,0,0|2,0,0]=4 1624 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,1,0,0,0,0|2,0,0]=4 1625 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,1,0,0,0,0|2,0,0]=4 1626 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,1,0,0,0,0|2,0,0]=4 1627 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,1,0,0,0,0|2,0,0]=4 1628 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,1,0,0,0,0|2,0,0]=4 1629 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [1,1,0,0,0,0|2,0,0]=4 1630 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [1,1,0,0,0,0|2,0,0]=4 1631 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [1,1,0,0,0,0|2,0,0]=4 1632 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [1,1,0,0,0,0|2,0,0]=4 1633 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [1,1,0,0,0,0|2,0,0]=4 1634 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [1,1,0,0,0,0|2,0,0]=4 1635 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [1,1,0,0,0,0|2,0,0]=4 1636 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [1,1,0,0,0,0|2,0,0]=4 1637 B12R1.43 CC(C[n+]1ccccc1)N(C)C 270004a_100102631434_100000034229 [1,1,0,0,0,0|1,0,0]=3 1638 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,1,0,0,0,0|1,0,0]=3 1639 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [1,1,0,0,0,0|0,0,0]=2 1640 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1641 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [1,1,0,0,0,0|1,0,0]=3 1642 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [1,1,0,0,0,0|1,0,0]=3 1643 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [1,1,0,0,0,0|1,0,0]=3 1644 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [1,1,0,0,0,0|1,0,0]=3 1645 B12R1.43 CC(Cc1cccnc1)N(C)C 270004a_100102631434_100015187140 [1,1,0,0,0,0|1,0,0]=3 1646 B12R1.43 CC(Cc1ccncc1)N(C)C 270004a_100102631434_100000238508 [1,1,0,0,0,0|1,0,0]=3 1647 B12R1.43 CC(Cc1cnccn1)N(C)C 270004a_100102631434_100015184882 [1,1,0,0,0,0|2,0,0]=4 1648 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,1,0,0,0,0|2,0,0]=4 1649 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,1,0,0,0,0|2,0,0]=4 1650 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,1,0,0,0,0|2,0,0]=4 1651 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [1,1,0,0,0,0|1,0,0]=3 1652 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [1,1,0,0,0,0|1,0,0]=3 1653 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [1,1,0,0,0,0|0,0,0]=2 1654 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [1,1,0,0,0,0|0,0,0]=2 1655 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [1,1,0,0,0,0|2,0,0]=4 1656 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [1,1,0,0,0,0|2,0,0]=4 1657 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [1,1,0,0,0,0|2,0,0]=4 1658 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [1,1,0,0,0,0|2,0,0]=4 1659 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [1,1,0,0,0,0|2,0,0]=4 1660 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [1,1,0,0,0,0|2,0,0]=4 1661 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [1,1,0,0,0,0|2,0,0]=4 1662 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [1,1,0,0,0,0|2,0,0]=4 1663 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [1,1,0,0,0,0|2,0,0]=4 1664 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [1,1,0,0,0,0|2,0,0]=4 1665 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [1,1,0,0,0,0|2,0,0]=4 1666 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [1,1,0,0,0,0|2,0,0]=4 1667 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [1,1,0,0,0,0|2,0,0]=4 1668 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [1,1,0,0,0,0|2,0,0]=4 1669 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [1,1,0,0,0,0|2,0,0]=4 1670 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [1,1,0,0,0,0|2,0,0]=4 1671 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [1,1,0,0,0,0|2,0,0]=4 1672 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [1,1,0,0,0,0|2,0,0]=4 1673 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [1,1,0,0,0,0|2,0,0]=4 1674 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [1,1,0,0,0,0|2,0,0]=4 1675 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [1,1,0,0,0,0|2,0,0]=4 1676 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [1,1,0,0,0,0|2,0,0]=4 1677 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [1,1,0,0,0,0|2,0,0]=4 1678 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [1,1,0,0,0,0|2,0,0]=4 1679 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [1,1,0,0,0,0|2,0,0]=4 1680 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [1,1,0,0,0,0|2,0,0]=4 1681 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [1,1,0,0,0,0|2,0,0]=4 1682 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [1,1,0,0,0,0|2,0,0]=4 1683 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [1,1,0,0,0,0|2,0,0]=4 1684 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210202 [1,1,0,0,0,0|2,0,0]=4 1685 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000187385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1686 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000225621_100011217064 [1,1,0,0,0,0|2,0,0]=4 1687 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000204670 [1,1,0,0,0,0|2,0,0]=4 1688 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000187385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1689 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000225621_100011217064 [1,1,0,0,0,0|2,0,0]=4 1690 B12R1.49 CCN(C)Cc1ccc(cc1)Br 26a_100000225621_100000185759 [1,1,0,0,0,0|2,0,0]=4 1691 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [1,1,0,0,0,0|2,0,0]=4 1692 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [1,1,0,0,0,0|2,0,0]=4 1693 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [1,1,0,0,0,0|2,0,0]=4 1694 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [1,1,0,0,0,0|2,0,0]=4 1695 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [1,1,0,0,0,0|2,0,0]=4 1696 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [1,1,0,0,0,0|2,0,0]=4 1697 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [1,1,0,0,0,0|2,0,0]=4 1698 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [1,1,0,0,0,0|2,0,0]=4 1699 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1700 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [1,1,0,0,0,0|2,0,0]=4 1701 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [1,1,0,0,0,0|2,0,0]=4 1702 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1703 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [1,1,0,0,0,0|2,0,0]=4 1704 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [1,1,0,0,0,0|2,0,0]=4 1705 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [1,1,0,0,0,0|2,0,0]=4 1706 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210202 [1,1,0,0,0,0|2,0,0]=4 1707 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000225621_100000198546 [1,1,0,0,0,0|2,0,0]=4 1708 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100015183324_200000210301 [1,1,0,0,0,0|2,0,0]=4 1709 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000204670 [1,1,0,0,0,0|2,0,0]=4 1710 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000225621_100000198546 [1,1,0,0,0,0|2,0,0]=4 1711 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100015183324_200000210301 [1,1,0,0,0,0|2,0,0]=4 1712 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210202 [1,1,0,0,0,0|2,0,0]=4 1713 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100015183324_200000210301 [1,1,0,0,0,0|2,0,0]=4 1714 B12R1.49 CCN(C)Cc1ccc(cc1)I 2230a_100000225621_100000189116 [1,1,0,0,0,0|2,0,0]=4 1715 B12R1.49 CCN(C)Cc1ccc(cc1)I 269982a_100000225621_100000189116 [1,1,0,0,0,0|2,0,0]=4 1716 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [1,1,0,0,0,0|2,0,0]=4 1717 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [1,1,0,0,0,0|2,0,0]=4 1718 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000187385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1720 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000187385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1721 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [1,1,0,0,0,0|2,0,0]=4 1722 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [1,1,0,0,0,0|2,0,0]=4 1723 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1724 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1725 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 2230a_100015183324_200025704644 [1,1,0,0,0,0|2,0,0]=4 1726 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 269982a_100015183324_200025704644 [1,1,0,0,0,0|2,0,0]=4 1727 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 34a_100015183324_200025704644 [1,1,0,0,0,0|2,0,0]=4 1728 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [1,1,0,0,0,0|2,0,0]=4 1729 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [1,1,0,0,0,0|1,0,1]=4 1730 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [1,1,0,0,0,0|1,0,1]=4 1731 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [1,1,0,0,0,0|1,0,1]=4 1732 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [1,1,0,0,0,0|1,0,1]=4 1733 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [1,1,0,0,0,0|1,0,1]=4 1734 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [1,1,0,0,0,0|1,0,1]=4 1735 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [1,1,0,0,0,0|1,0,1]=4 1736 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [1,1,0,0,0,0|1,0,1]=4 1737 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [1,1,0,0,0,0|1,0,1]=4 1738 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [1,1,0,0,0,0|1,0,1]=4 1739 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [1,1,0,0,0,0|1,0,1]=4 1740 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [1,1,0,0,0,0|1,0,1]=4 1741 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [1,1,0,0,0,0|1,0,1]=4 1742 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [1,1,0,0,0,0|1,0,1]=4 1743 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [1,1,0,0,0,0|1,0,1]=4 1744 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [1,1,0,0,0,0|1,0,1]=4 1745 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [1,1,0,0,0,0|1,0,1]=4 1746 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [1,1,0,0,0,0|1,0,1]=4 1747 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [1,1,0,0,0,0|1,0,1]=4 1748 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [1,1,0,0,0,0|1,0,1]=4 1749 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [1,1,0,0,0,0|1,0,1]=4 1750 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [1,1,0,0,0,0|0,0,0]=2 1751 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [1,1,0,0,0,0|0,0,0]=2 1752 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [1,1,0,0,0,0|0,0,0]=2 1753 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [1,1,0,0,0,0|0,0,0]=2 1754 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [1,1,0,0,0,0|0,0,0]=2 1755 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [1,1,0,0,0,0|0,0,0]=2 1756 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [1,1,0,0,0,0|0,0,0]=2 1757 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [1,1,0,0,0,0|1,0,0]=3 1758 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [1,1,0,0,0,0|1,0,0]=3 1759 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100000752885_100009879195 [1,1,0,0,0,0|2,0,0]=4 1760 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100009879195_100000752885 [1,1,0,0,0,0|2,0,0]=4 1761 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [1,1,0,0,0,0|2,0,0]=4 1762 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [1,1,0,0,0,0|2,0,0]=4 1763 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [1,1,0,0,0,0|2,0,0]=4 1764 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [1,1,0,0,0,0|2,0,0]=4 1765 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100000211213_100009879195 [1,1,0,0,0,0|2,0,0]=4 1766 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100009879195_100000211213 [1,1,0,0,0,0|2,0,0]=4 1767 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100000185761_100009879195 [1,1,0,0,0,0|2,0,0]=4 1768 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100009879195_100000185761 [1,1,0,0,0,0|2,0,0]=4 1769 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [1,1,0,0,0,0|2,0,0]=4 1770 B12R1.50 CCC(C)Nc1cccc(c1)Br 34a_100000210019_100011215416 [1,1,0,0,0,0|2,0,0]=4 1771 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [1,1,0,0,0,0|2,0,0]=4 1772 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [1,1,0,0,0,0|2,0,0]=4 1773 B12R1.50 CCC(C)Nc1cccc(c1)Cl 34a_100000185859_100011215416 [1,1,0,0,0,0|2,0,0]=4 1774 B12R1.50 CCC(C)Nc1cccc(c1)F 34a_100000210047_100011215416 [1,1,0,0,0,0|2,0,0]=4 1775 B12R1.50 CCC(C)Nc1cccc(c1)I 34a_100000211102_100011215416 [1,1,0,0,0,0|2,0,0]=4 1776 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [1,1,0,0,0,0|2,0,0]=4 1777 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [1,1,0,0,0,0|2,0,0]=4 1778 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [1,1,0,0,0,0|2,0,0]=4 1779 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [1,1,0,0,0,0|2,0,0]=4 1780 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [1,1,0,0,0,0|2,0,0]=4 1781 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [1,1,0,0,0,0|2,0,0]=4 1782 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [1,1,0,0,0,0|2,0,0]=4 1783 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [1,1,0,0,0,0|2,0,0]=4 1784 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [1,1,0,0,0,0|2,0,0]=4 1785 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [1,1,0,0,0,0|2,0,0]=4 1786 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [1,1,0,0,0,0|2,0,0]=4 1787 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [1,1,0,0,0,0|2,0,0]=4 1788 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [1,1,0,0,0,0|2,0,0]=4 1789 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000691529_100000758301 [1,1,0,0,0,0|2,0,0]=4 1790 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000758301_100000691529 [1,1,0,0,0,0|2,0,0]=4 1791 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [1,1,0,0,0,0|2,0,0]=4 1792 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [1,1,0,0,0,0|2,0,0]=4 1793 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000758301 [1,1,0,0,0,0|2,0,0]=4 1794 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000758301_100000699651 [1,1,0,0,0,0|2,0,0]=4 1795 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000685547_100000758301 [1,1,0,0,0,0|2,0,0]=4 1796 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000758301_100000685547 [1,1,0,0,0,0|2,0,0]=4 1797 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000210019_100000758301 [1,1,0,0,0,0|2,0,0]=4 1798 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000758301_100000210019 [1,1,0,0,0,0|2,0,0]=4 1799 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [1,1,0,0,0,0|2,0,0]=4 1800 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_100000758301_114929384022 [1,1,0,0,0,0|2,0,0]=4 1801 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000758301 [1,1,0,0,0,0|2,0,0]=4 1802 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1803 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210202 [1,1,0,0,0,0|2,0,0]=4 1804 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000225621_100000698116 [1,1,0,0,0,0|2,0,0]=4 1805 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1806 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000204670 [1,1,0,0,0,0|2,0,0]=4 1807 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000225621_100000211773 [1,1,0,0,0,0|2,0,0]=4 1808 B12R1.50 CCN(C)Cc1cccc(c1)Br 26a_100000225621_100000210342 [1,1,0,0,0,0|2,0,0]=4 1809 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [1,1,0,0,0,0|2,0,0]=4 1810 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [1,1,0,0,0,0|2,0,0]=4 1811 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [1,1,0,0,0,0|2,0,0]=4 1812 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [1,1,0,0,0,0|2,0,0]=4 1813 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [1,1,0,0,0,0|2,0,0]=4 1814 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [1,1,0,0,0,0|2,0,0]=4 1815 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000201194_200000210301 [1,1,0,0,0,0|2,0,0]=4 1817 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000225621_100000181238 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210202 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000201194_200000210301 [1,1,0,0,0,0|2,0,0]=4 1820 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000225621_100000181238 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000204670 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210202 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000195558_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000225621_100000230114 [1,1,0,0,0,0|2,0,0]=4 1825 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000204670 [1,1,0,0,0,0|2,0,0]=4 1826 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000195558_200000210301 [1,1,0,0,0,0|2,0,0]=4 1827 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000225621_100000230114 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000184398_100000210202 [1,1,0,0,0,0|2,0,0]=4 1829 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000195558_200000210301 [1,1,0,0,0,0|2,0,0]=4 1830 B12R1.50 CCN(C)Cc1cccc(c1)I 2230a_100000225621_100011218688 [1,1,0,0,0,0|2,0,0]=4 1831 B12R1.50 CCN(C)Cc1cccc(c1)I 269982a_100000225621_100011218688 [1,1,0,0,0,0|2,0,0]=4 1832 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [1,1,0,0,0,0|2,0,0]=4 1833 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [1,1,0,0,0,0|2,0,0]=4 1834 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [1,1,0,0,0,0|2,0,0]=4 1835 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [1,1,0,0,0,0|2,0,0]=4 1836 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [1,1,0,0,0,0|2,0,0]=4 1837 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [1,1,0,0,0,0|2,0,0]=4 1838 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 2230a_100000187426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1839 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 269982a_100000187426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1840 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [1,1,0,0,0,0|2,0,0]=4 1841 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [1,1,0,0,0,0|2,0,0]=4 1842 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 2230a_100000201194_200025704644 [1,1,0,0,0,0|2,0,0]=4 1843 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 269982a_100000201194_200025704644 [1,1,0,0,0,0|2,0,0]=4 1844 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 2230a_100000195558_200025704644 [1,1,0,0,0,0|2,0,0]=4 1845 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 269982a_100000195558_200025704644 [1,1,0,0,0,0|2,0,0]=4 1846 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 34a_100000195558_200025704644 [1,1,0,0,0,0|2,0,0]=4 1847 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [1,1,0,0,0,0|2,0,0]=4 1848 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [1,1,0,0,0,0|2,0,0]=4 1849 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [1,1,0,0,0,0|1,0,1]=4 1850 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [1,1,0,0,0,0|1,0,1]=4 1851 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [1,1,0,0,0,0|1,0,1]=4 1852 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [1,1,0,0,0,0|1,0,1]=4 1853 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [1,1,0,0,0,0|1,0,1]=4 1854 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [1,1,0,0,0,0|1,0,1]=4 1855 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [1,1,0,0,0,0|1,0,1]=4 1856 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [1,1,0,0,0,0|1,0,1]=4 1857 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [1,1,0,0,0,0|1,0,1]=4 1858 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [1,1,0,0,0,0|1,0,1]=4 1859 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [1,1,0,0,0,0|1,0,1]=4 1860 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [1,1,0,0,0,0|1,0,1]=4 1861 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [1,1,0,0,0,0|1,0,1]=4 1862 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [1,1,0,0,0,0|1,0,1]=4 1863 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [1,1,0,0,0,0|1,0,1]=4 1864 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [1,1,0,0,0,0|1,0,1]=4 1865 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [1,1,0,0,0,0|1,0,1]=4 1866 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [1,1,0,0,0,0|1,0,1]=4 1867 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [1,1,0,0,0,0|1,0,1]=4 1868 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [1,1,0,0,0,0|1,0,1]=4 1869 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [1,1,0,0,0,0|1,0,1]=4 1870 B12R1.50 CNC(C)Cc1cc(ccn1)C 270004a_106832991635_200015184229 [1,1,0,0,0,0|1,0,0]=3 1871 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [1,1,0,0,0,0|0,0,0]=2 1872 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [1,1,0,0,0,0|0,0,0]=2 1873 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [1,1,0,0,0,0|0,0,0]=2 1874 B12R1.50 COC(C)Cc1cccc(n1)C 34a_200015421231_200000210301 [1,1,0,0,0,0|2,0,0]=4 1875 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100000691529_100009879195 [1,1,0,0,0,0|2,0,0]=4 1876 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100009879195_100000691529 [1,1,0,0,0,0|2,0,0]=4 1877 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100009879195_100011215228 [1,1,0,0,0,0|2,0,0]=4 1878 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100011215228_100009879195 [1,1,0,0,0,0|2,0,0]=4 1879 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100000699651_100009879195 [1,1,0,0,0,0|2,0,0]=4 1880 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100009879195_100000699651 [1,1,0,0,0,0|2,0,0]=4 1881 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100000685547_100009879195 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100009879195_100000685547 [1,1,0,0,0,0|2,0,0]=4 1883 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100000210019_100009879195 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100009879195_100000210019 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_100009879195_114929384022 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_114929384022_100009879195 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.50 Cc1cccc(n1)CC(C)O[13CH3] 34a_200015421231_200025704644 [1,1,0,0,0,0|2,0,0]=4 1889 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1890 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1891 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1892 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1893 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [1,1,0,0,0,0|2,0,0]=4 1894 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [1,1,0,0,0,0|2,0,0]=4 1895 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [1,1,0,0,0,0|2,0,0]=4 1896 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [1,1,0,0,0,0|0,0,0]=2 1897 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [1,1,0,0,0,0|1,0,0]=3 1898 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [1,1,0,0,0,0|1,0,0]=3 1899 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [1,1,0,0,0,0|2,0,0]=4 1900 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [1,1,0,0,0,0|2,0,0]=4 1901 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [1,1,0,0,0,0|2,0,0]=4 1902 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [1,1,0,0,0,0|2,0,0]=4 1903 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [1,1,0,0,0,0|2,0,0]=4 1904 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [1,1,0,0,0,0|2,0,0]=4 1905 B12R1.118 CCN(CF)Cc1ccccc1 269982a_100000186914_100015361967 [1,1,0,0,0,0|2,0,0]=4 1906 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [1,1,0,0,0,0|0,0,1]=3 1907 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [1,1,0,0,0,0|0,0,1]=3 1908 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [1,1,0,0,0,0|0,0,0]=2 1909 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [1,1,0,0,0,0|1,0,0]=3 1910 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [1,1,0,0,0,0|1,0,0]=3 1911 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [1,1,0,0,0,0|1,0,0]=3 1912 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [1,1,0,0,0,0|1,0,0]=3 1913 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [1,1,0,0,0,0|1,0,1]=4 1914 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [1,1,0,0,0,0|1,0,1]=4 1915 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [1,1,0,0,0,0|0,0,1]=3 1916 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [1,1,0,0,0,0|0,0,0]=2 1917 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [1,1,0,0,0,0|1,0,0]=3 1918 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [1,1,0,0,0,0|1,0,0]=3 1919 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [1,1,0,0,0,0|1,0,0]=3 1920 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [1,1,0,0,0,0|1,0,0]=3 1921 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [1,1,0,0,0,0|1,0,1]=4 1922 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [1,1,0,0,0,0|1,0,1]=4 1923 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [1,1,0,0,0,0|1,0,0]=3 1924 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [1,1,0,0,0,0|2,0,0]=4 1925 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000032637_100000041952 [1,1,0,0,0,0|2,0,0]=4 1926 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000719477_100000032637 [1,1,0,0,0,0|2,0,0]=4 1927 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [1,1,0,0,0,0|2,0,0]=4 1928 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [1,1,0,0,0,0|2,0,0]=4 1929 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [1,1,0,0,0,0|2,0,0]=4 1931 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [1,1,0,0,0,0|1,0,0]=3 1932 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [1,1,0,0,0,0|2,0,0]=4 1934 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [1,1,0,0,0,0|2,0,0]=4 1935 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [1,1,0,0,0,0|2,0,0]=4 1936 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [1,1,0,0,0,0|2,0,0]=4 1937 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [1,1,0,0,0,0|2,0,0]=4 1938 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [1,1,0,0,0,0|2,0,0]=4 1939 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [1,1,0,0,0,0|2,0,0]=4 1940 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [1,1,0,0,0,0|2,0,0]=4 1941 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [1,1,0,0,0,0|2,0,0]=4 1951 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [1,1,0,0,0,0|2,0,0]=4 1952 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [1,1,0,0,0,0|2,0,0]=4 1953 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [1,1,0,0,0,0|2,0,0]=4 1954 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [1,1,0,0,0,0|2,0,0]=4 1955 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [1,1,0,0,0,0|2,0,0]=4 1958 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [1,1,0,0,0,0|2,0,0]=4 1959 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [1,1,0,0,0,0|2,0,0]=4 1960 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [1,1,0,0,0,0|2,0,0]=4 1961 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [1,1,0,0,0,0|2,0,0]=4 1962 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [1,1,0,0,0,0|2,0,0]=4 1963 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [1,1,0,0,0,0|2,0,0]=4 1964 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [1,1,0,0,0,0|2,0,0]=4 1965 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [1,1,0,0,0,0|2,0,0]=4 1966 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [1,1,0,0,0,0|2,0,0]=4 1967 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [1,1,0,0,0,0|2,0,0]=4 1969 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [1,1,0,0,0,0|2,0,0]=4 1970 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [1,1,0,0,0,0|2,0,0]=4 1971 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [1,1,0,0,0,0|2,0,0]=4 1972 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [1,1,0,0,0,0|2,0,0]=4 1974 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [1,1,0,0,0,0|2,0,0]=4 1976 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1978 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [1,1,0,0,0,0|2,0,0]=4 1979 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [1,1,0,0,0,0|2,0,0]=4 1981 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [1,1,0,0,0,0|2,0,0]=4 1982 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1983 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [1,1,0,0,0,0|2,0,0]=4 1985 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [1,1,0,0,0,0|2,0,0]=4 1990 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1991 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [1,1,0,0,0,0|2,0,0]=4 1992 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1993 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [1,1,0,0,0,0|2,0,0]=4 1994 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [1,1,0,0,0,0|2,0,0]=4 1995 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [1,1,0,0,0,0|2,0,0]=4 1996 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1997 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1998 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1999 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2000 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2001 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [1,1,0,0,0,0|2,0,0]=4 2002 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [1,1,0,0,0,0|2,0,0]=4 2003 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [1,1,0,0,0,0|1,0,1]=4 2004 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [1,1,0,0,0,0|1,0,1]=4 2005 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [1,1,0,0,0,0|1,0,1]=4 2006 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [1,1,0,0,0,0|1,0,1]=4 2007 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [1,1,0,0,0,0|1,0,1]=4 2008 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [1,1,0,0,0,0|1,0,1]=4 2009 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [1,1,0,0,0,0|1,0,1]=4 2010 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [1,1,0,0,0,0|1,0,1]=4 2011 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [1,1,0,0,0,0|1,0,1]=4 2012 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [1,1,0,0,0,0|1,0,1]=4 2013 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [1,1,0,0,0,0|1,0,1]=4 2014 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [1,1,0,0,0,0|1,0,1]=4 2015 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [1,1,0,0,0,0|1,0,1]=4 2016 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [1,1,0,0,0,0|1,0,1]=4 2017 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [1,1,0,0,0,0|1,0,1]=4 2018 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [1,1,0,0,0,0|1,0,1]=4 2019 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [1,1,0,0,0,0|1,0,1]=4 2020 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [1,1,0,0,0,0|1,0,1]=4 2021 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [1,1,0,0,0,0|1,0,1]=4 2022 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [1,1,0,0,0,0|1,0,1]=4 2023 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [1,1,0,0,0,0|1,0,1]=4 2024 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [1,1,0,0,0,0|1,0,1]=4 2025 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [1,1,0,0,0,0|0,0,0]=2 2026 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [1,1,0,0,0,0|0,0,0]=2 2027 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [1,1,0,0,0,0|0,0,0]=2 2028 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [1,1,0,0,0,0|0,0,0]=2 2029 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [1,1,0,0,0,0|1,0,0]=3 2030 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [1,1,0,0,0,0|2,0,0]=4 2031 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [1,1,0,0,0,0|2,0,0]=4 2032 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [1,1,0,0,0,0|2,0,0]=4 2033 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [1,1,0,0,0,0|2,0,0]=4 2034 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [1,1,0,0,0,0|2,0,0]=4 2035 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [1,1,0,0,0,0|2,0,0]=4 2036 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [1,1,0,0,0,0|2,0,0]=4 2037 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [1,1,0,0,0,0|2,0,0]=4 2038 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [1,1,0,0,0,0|2,0,0]=4 2039 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [1,1,0,0,0,0|2,0,0]=4 2040 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [1,1,0,0,0,0|2,0,0]=4 2041 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [1,1,0,0,0,0|2,0,0]=4 2042 B14R1.10 CCC(C)NC(C)c1ccc(cc1)Br 2230a_100000209981_100000755118 [0,1,0,0,0,1|2,0,0]=4 2043 B14R1.10 CCC(C)NC(C)c1ccc(cc1)Br 269862a_100000209981_100000185794 [0,1,0,0,0,1|2,0,0]=4 2044 B14R1.10 CCC(C)NC(C)c1ccc(cc1)C 2230a_100000209981_100011261388 [0,1,0,0,0,1|2,0,0]=4 2045 B14R1.10 CCC(C)NC(C)c1ccc(cc1)C 269862a_100000209981_100000185793 [0,1,0,0,0,1|2,0,0]=4 2046 B14R1.10 CCC(C)NC(C)c1ccc(cc1)Cl 2230a_100000209981_100000684792 [0,1,0,0,0,1|2,0,0]=4 2047 B14R1.10 CCC(C)NC(C)c1ccc(cc1)Cl 269862a_100000209981_100000185797 [0,1,0,0,0,1|2,0,0]=4 2048 B14R1.10 CCC(C)NC(C)c1ccc(cc1)F 2230a_100000209981_100000743420 [0,1,0,0,0,1|2,0,0]=4 2049 B14R1.10 CCC(C)NC(C)c1ccc(cc1)F 269862a_100000209981_100000185800 [0,1,0,0,0,1|2,0,0]=4 2050 B14R1.10 CCC(C)NC(C)c1ccc(cc1)I 269862a_100000209981_100000185465 [0,1,0,0,0,1|2,0,0]=4 2051 B14R1.10 CCC(C)N[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000758301 [0,1,0,0,0,1|2,0,0]=4 2052 B14R1.10 CCC(C)N[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011215416 [0,1,0,0,0,1|2,0,0]=4 2053 B14R1.10 CCC(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000758301 [0,1,0,0,0,1|2,0,0]=4 2054 B14R1.10 CCC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000758301 [0,1,0,0,0,1|2,0,0]=4 2055 B14R1.10 CCC(C)N[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000758301 [0,1,0,0,0,1|2,0,0]=4 2056 B14R1.10 CCC(C)N[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000758301 [0,1,0,0,0,1|2,0,0]=4 2057 B14R1.10 CCC(C)N[C@H](C)c1ccc(cc1)C 34a_100016988085_100011215416 [0,1,0,0,0,1|2,0,0]=4 2058 B14R1.10 CCC(C)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000758301 [0,1,0,0,0,1|2,0,0]=4 2059 B14R1.10 CCC(C)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011215416 [0,1,0,0,0,1|2,0,0]=4 2060 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100011215416 [0,1,0,0,0,1|2,0,0]=4 2061 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000758301 [0,1,0,0,0,1|2,0,0]=4 2062 B14R1.10 CCC(C)OC(C)c1ccc(cc1)C 7a_100000210228_100011261388 [0,1,0,0,0,1|2,0,0]=4 2063 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Cl 7a_100000210228_100000684792 [0,1,0,0,0,1|2,0,0]=4 2064 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100011215416 [0,1,0,0,0,1|2,0,0]=4 2065 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000758301 [0,1,0,0,0,1|2,0,0]=4 2066 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 7a_100000210228_100000743420 [0,1,0,0,0,1|2,0,0]=4 2067 B14R1.10 CCC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100011215416 [0,1,0,0,0,1|2,0,0]=4 2068 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011215416 [0,1,0,0,0,1|2,0,0]=4 2069 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000758301 [0,1,0,0,0,1|2,0,0]=4 2070 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)C 34a_100000690690_100011215416 [0,1,0,0,0,1|2,0,0]=4 2071 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)C 7a_100000690690_100000758301 [0,1,0,0,0,1|2,0,0]=4 2072 B14R1.10 CCC(C)SC(C)c1ccc(cc1)Br 62a_100000755118_100000758301 [0,1,0,0,0,1|2,0,0]=4 2073 B14R1.10 CCC(C)SC(C)c1ccc(cc1)Br 62a_100000758301_100000755118 [0,1,0,0,0,1|2,0,0]=4 2074 B14R1.10 CCC(C)SC(C)c1ccc(cc1)C 62a_100000758301_100011261388 [0,1,0,0,0,1|2,0,0]=4 2075 B14R1.10 CCC(C)SC(C)c1ccc(cc1)C 62a_100011261388_100000758301 [0,1,0,0,0,1|2,0,0]=4 2076 B14R1.10 CCC(C)SC(C)c1ccc(cc1)Cl 62a_100000684792_100000758301 [0,1,0,0,0,1|2,0,0]=4 2077 B14R1.10 CCC(C)SC(C)c1ccc(cc1)Cl 62a_100000758301_100000684792 [0,1,0,0,0,1|2,0,0]=4 2078 B14R1.10 CCC(C)SC(C)c1ccc(cc1)F 62a_100000743420_100000758301 [0,1,0,0,0,1|2,0,0]=4 2079 B14R1.10 CCC(C)SC(C)c1ccc(cc1)F 62a_100000758301_100000743420 [0,1,0,0,0,1|2,0,0]=4 2080 B14R1.10 CCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000225621_200011996143 [0,1,0,0,0,1|2,0,0]=4 2081 B14R1.10 CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210202 [0,1,0,0,0,1|2,0,0]=4 2082 B14R1.10 CCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000204670 [0,1,0,0,0,1|2,0,0]=4 2083 B14R1.10 CCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000225621_100000720402 [0,1,0,0,0,1|2,0,0]=4 2084 B14R1.10 COC(C)SC(C)c1ccc(cc1)Br 62a_100000755118_100009879195 [0,1,0,0,0,1|2,0,0]=4 2085 B14R1.10 COC(C)SC(C)c1ccc(cc1)Br 62a_100009879195_100000755118 [0,1,0,0,0,1|2,0,0]=4 2086 B14R1.10 COC(C)SC(C)c1ccc(cc1)C 62a_100009879195_100011261388 [0,1,0,0,0,1|2,0,0]=4 2087 B14R1.10 COC(C)SC(C)c1ccc(cc1)C 62a_100011261388_100009879195 [0,1,0,0,0,1|2,0,0]=4 2088 B14R1.10 COC(C)SC(C)c1ccc(cc1)Cl 62a_100000684792_100009879195 [0,1,0,0,0,1|2,0,0]=4 2089 B14R1.10 COC(C)SC(C)c1ccc(cc1)Cl 62a_100009879195_100000684792 [0,1,0,0,0,1|2,0,0]=4 2090 B14R1.10 COC(C)SC(C)c1ccc(cc1)F 62a_100000743420_100009879195 [0,1,0,0,0,1|2,0,0]=4 2091 B14R1.10 COC(C)SC(C)c1ccc(cc1)F 62a_100009879195_100000743420 [0,1,0,0,0,1|2,0,0]=4 2092 B14R1.10 [2H]C(OC(C)CC)c1ccc(cc1)F 34a_217856618577_100011215416 [0,1,0,0,0,1|2,0,0]=4 2093 B14R1.10 [2H]C(OC(C)CC)c1ccc(cc1)F 7a_217856618577_100000758301 [0,1,0,0,0,1|2,0,0]=4 2094 B14R1.11 CCC(C)NC(C)c1cccc(c1)Br 2230a_100020642005_100000758301 [0,1,0,0,0,1|2,0,0]=4 2095 B14R1.11 CCC(C)NC(C)c1cccc(c1)Br 269862a_100000209981_100000210093 [0,1,0,0,0,1|2,0,0]=4 2096 B14R1.11 CCC(C)NC(C)c1cccc(c1)C 269862a_100000209981_100000211476 [0,1,0,0,0,1|2,0,0]=4 2097 B14R1.11 CCC(C)NC(C)c1cccc(c1)Cl 2230a_100102723534_100000758301 [0,1,0,0,0,1|2,0,0]=4 2098 B14R1.11 CCC(C)NC(C)c1cccc(c1)Cl 269862a_100000209981_200000210964 [0,1,0,0,0,1|2,0,0]=4 2099 B14R1.11 CCC(C)NC(C)c1cccc(c1)Cl 34a_100102723534_100011215416 [0,1,0,0,0,1|2,0,0]=4 2100 B14R1.11 CCC(C)NC(C)c1cccc(c1)F 269862a_100000209981_100000187083 [0,1,0,0,0,1|2,0,0]=4 2101 B14R1.11 CCC(C)NC(C)c1cccc(c1)I 269862a_100000209981_100011356966 [0,1,0,0,0,1|2,0,0]=4 2102 B14R1.11 CCC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000758301 [0,1,0,0,0,1|2,0,0]=4 2103 B14R1.11 CCC(C)NC(C)c1cccc(c1)O 269862a_100000209981_100000211620 [0,1,0,0,0,1|2,0,0]=4 2104 B14R1.11 CCC(C)N[C@H](C)c1cccc(c1)C 2230a_100000698126_100000758301 [0,1,0,0,0,1|2,0,0]=4 2105 B14R1.11 CCC(C)N[C@H](C)c1cccc(c1)C 34a_100000698126_100011215416 [0,1,0,0,0,1|2,0,0]=4 2106 B14R1.11 CCC(C)N[C@H](C)c1cccc(c1)F 2230a_100015193778_100000758301 [0,1,0,0,0,1|2,0,0]=4 2107 B14R1.11 CCC(C)N[C@H](C)c1cccc(c1)F 34a_100015193778_100011215416 [0,1,0,0,0,1|2,0,0]=4 2108 B14R1.11 CCC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100011215416 [0,1,0,0,0,1|2,0,0]=4 2109 B14R1.11 CCC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000758301 [0,1,0,0,0,1|2,0,0]=4 2110 B14R1.11 CCC(C)OC(C)c1cccc(c1)C 34a_100000757818_100011215416 [0,1,0,0,0,1|2,0,0]=4 2111 B14R1.11 CCC(C)OC(C)c1cccc(c1)C 7a_100000757818_100000758301 [0,1,0,0,0,1|2,0,0]=4 2112 B14R1.11 CCC(C)OC(C)c1cccc(c1)F 34a_100000744526_100011215416 [0,1,0,0,0,1|2,0,0]=4 2113 B14R1.11 CCC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000758301 [0,1,0,0,0,1|2,0,0]=4 2114 B14R1.11 CCC(C)OC(C)c1cccc(c1)I 34a_100013085317_100011215416 [0,1,0,0,0,1|2,0,0]=4 2115 B14R1.11 CCC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000758301 [0,1,0,0,0,1|2,0,0]=4 2116 B14R1.11 CCC(C)OC(C)c1cccc(c1)N 34a_100011217120_100011215416 [0,1,0,0,0,1|2,0,0]=4 2117 B14R1.11 CCC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000758301 [0,1,0,0,0,1|2,0,0]=4 2118 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011215416 [0,1,0,0,0,1|2,0,0]=4 2119 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000758301 [0,1,0,0,0,1|2,0,0]=4 2120 B14R1.11 CCN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_100000210202 [0,1,0,0,0,1|2,0,0]=4 2121 B14R1.11 CCN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_100000204670 [0,1,0,0,0,1|2,0,0]=4 2122 B14R1.11 CCN(C)CC(O)c1cccc(c1)O 2230a_100000737735_200000210301 [0,1,0,0,0,1|2,0,0]=4 2123 B14R1.11 CCN(C)CC(O)c1cccc(c1)O 269982a_100000737735_200000210301 [0,1,0,0,0,1|2,0,0]=4 2124 B14R1.11 CCN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_100000210202 [0,1,0,0,0,1|2,0,0]=4 2125 B14R1.11 CCN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_100000204670 [0,1,0,0,0,1|2,0,0]=4 2126 B14R1.11 CCN([13CH3])CC(O)c1cccc(c1)O 2230a_100000737735_200025704644 [0,1,0,0,0,1|2,0,0]=4 2127 B14R1.11 CCN([13CH3])CC(O)c1cccc(c1)O 269982a_100000737735_200025704644 [0,1,0,0,0,1|2,0,0]=4 2128 B14R1.11 CNC(=O)C[C@H](O)c1cccc(c1)Cl 240690a_100102657272_100010423400 [0,1,0,0,0,1|1,0,1]=4 2129 B14R1.29 C/C=C/C(C)OC(C)c1ccccc1 34a_200102604097_100000211855 [0,1,0,0,0,1|2,0,0]=4 2130 B14R1.29 CC#CC(C)OC(C)c1ccccc1 34a_100011216543_100000211855 [0,1,0,0,0,1|2,0,0]=4 2131 B14R1.29 CC(CCBr)OC(C)c1ccccc1 34a_100012276601_100000211855 [0,1,0,0,0,1|2,0,0]=4 2132 B14R1.29 CC(CCO)N[C@H](C)c1ccccc1 2230a_100000751104_100009893172 [0,1,0,0,0,1|2,0,0]=4 2133 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 34a_100000761318_100009893172 [0,1,0,0,0,1|2,0,0]=4 2134 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 7a_100000761318_100009893172 [0,1,0,0,0,1|2,0,0]=4 2135 B14R1.29 CC(CCO)SC(C)c1ccccc1 62a_100000230085_100009893172 [0,1,0,0,0,1|2,0,0]=4 2136 B14R1.29 CC(CCO)SC(C)c1ccccc1 62a_100009893172_100000230085 [0,1,0,0,0,1|2,0,0]=4 2137 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 2230a_100000706166_100000230085 [0,1,0,0,0,1|2,0,0]=4 2138 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 269862a_100000706166_100000185851 [0,1,0,0,0,1|2,0,0]=4 2139 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 34a_100000706166_100000211855 [0,1,0,0,0,1|2,0,0]=4 2140 B14R1.29 CCCC(C)NC(C)c1ccccc1 2230a_100000741246_100000230085 [0,1,0,0,0,1|2,0,0]=4 2141 B14R1.29 CCCC(C)NC(C)c1ccccc1 269862a_100000741246_100000185851 [0,1,0,0,0,1|2,0,0]=4 2142 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000766640 [0,1,0,0,0,1|2,0,0]=4 2143 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000211909 [0,1,0,0,0,1|2,0,0]=4 2144 B14R1.29 CCCC(C)OC(C)c1ccccc1 34a_100000764384_100000211855 [0,1,0,0,0,1|2,0,0]=4 2145 B14R1.29 CCCC(C)OC(C)c1ccccc1 7a_100000764384_100000230085 [0,1,0,0,0,1|2,0,0]=4 2146 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000766640 [0,1,0,0,0,1|2,0,0]=4 2147 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000766640 [0,1,0,0,0,1|2,0,0]=4 2148 B14R1.29 CCCC(C)SC(C)c1ccccc1 62a_100000230085_100000766640 [0,1,0,0,0,1|2,0,0]=4 2149 B14R1.29 CCCC(C)SC(C)c1ccccc1 62a_100000766640_100000230085 [0,1,0,0,0,1|2,0,0]=4 2150 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210303 [0,1,0,0,0,1|2,0,0]=4 2151 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000747261_100000185958 [0,1,0,0,0,1|2,0,0]=4 2152 B14R1.29 CCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210303 [0,1,0,0,0,1|2,0,0]=4 2153 B14R1.29 CCCN(C)C[C@@H](O)c1ccccc1 2230a_100000747261_100011933945 [0,1,0,0,0,1|2,0,0]=4 2154 B14R1.29 CCNC(=O)CC(O)c1ccccc1 240690a_100015525214_100000690199 [0,1,0,0,0,1|1,0,1]=4 2155 B14R1.29 CN(CCF)CC(O)c1ccccc1 2230a_100000227976_100011217306 [0,1,0,0,0,1|2,0,0]=4 2156 B14R1.29 CN(CCF)CC(O)c1ccccc1 269982a_100000227976_100011217306 [0,1,0,0,0,1|2,0,0]=4 2157 B14R1.29 CN(CCO)CC(O)c1ccccc1 2230a_100000210263_100000185958 [0,1,0,0,0,1|2,0,0]=4 2158 B14R1.29 CN(CCO)CC(O)c1ccccc1 2230a_100000227976_100000211926 [0,1,0,0,0,1|2,0,0]=4 2159 B14R1.29 CN(CCO)CC(O)c1ccccc1 269982a_100000227976_100000211926 [0,1,0,0,0,1|2,0,0]=4 2160 B14R1.29 CN(CCO)C[C@@H](O)c1ccccc1 2230a_100000210263_100011933945 [0,1,0,0,0,1|2,0,0]=4 2161 B14R1.29 CNNC(=O)CC(O)c1ccccc1 22a_100016993582_100000690199 [0,1,0,0,0,1|1,0,1]=4 2162 B14R1.29 COCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000765312 [0,1,0,0,0,1|2,0,0]=4 2163 B14R1.29 COCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000749346 [0,1,0,0,0,1|2,0,0]=4 2164 B14R1.29 COCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000765312 [0,1,0,0,0,1|2,0,0]=4 2165 B14R1.29 COCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000765312 [0,1,0,0,0,1|2,0,0]=4 2166 B14R1.29 COCC(C)SC(C)c1ccccc1 62a_100000230085_100000765312 [0,1,0,0,0,1|2,0,0]=4 2167 B14R1.29 COCC(C)SC(C)c1ccccc1 62a_100000765312_100000230085 [0,1,0,0,0,1|2,0,0]=4 2168 B14R1.29 COCN(C)CC(O)c1ccccc1 2230a_100000227976_100000766300 [0,1,0,0,0,1|2,0,0]=4 2169 B14R1.29 COCN(C)CC(O)c1ccccc1 269982a_100000227976_100000766300 [0,1,0,0,0,1|2,0,0]=4 2170 B14R1.29 COC[C@@H](C)NC(C)c1ccccc1 2230a_100000764878_100000230085 [0,1,0,0,0,1|2,0,0]=4 2171 B14R1.29 COC[C@@H](C)NC(C)c1ccccc1 269862a_100000764878_100000185851 [0,1,0,0,0,1|2,0,0]=4 2172 B14R1.29 COC[C@@H](C)OC(C)c1ccccc1 34a_100011934205_100000211855 [0,1,0,0,0,1|2,0,0]=4 2173 B14R1.29 CSCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100011216314 [0,1,0,0,0,1|2,0,0]=4 2174 B14R1.29 CSCN(C)CC(O)c1ccccc1 2230a_100000227976_100011218213 [0,1,0,0,0,1|2,0,0]=4 2175 B14R1.29 CSCN(C)CC(O)c1ccccc1 269982a_100000227976_100011218213 [0,1,0,0,0,1|2,0,0]=4 2176 B14R1.58 CCC(CC)NC(C)c1ccccc1 2230a_100000199018_100000230085 [0,1,0,0,0,1|2,0,0]=4 2177 B14R1.58 CCC(CC)NC(C)c1ccccc1 269862a_100000199018_100000185851 [0,1,0,0,0,1|2,0,0]=4 2178 B14R1.58 CCC(CC)N[C@H](C)c1ccccc1 270004a_100000751104_100000210860 [0,1,0,0,0,1|2,0,0]=4 2179 B14R1.58 CCC(CC)OC(C)c1ccccc1 7a_100000688536_100000230085 [0,1,0,0,0,1|2,0,0]=4 2180 B14R1.58 CCC(CC)O[C@H](C)c1ccccc1 7a_100000761318_100000210505 [0,1,0,0,0,1|2,0,0]=4 2181 B14R1.58 CCC(CC)SC(C)c1ccccc1 62a_100000210505_100000230085 [0,1,0,0,0,1|2,0,0]=4 2182 B14R1.58 CCC(CC)SC(C)c1ccccc1 62a_100000230085_100000210505 [0,1,0,0,0,1|2,0,0]=4 2183 B14R1.58 CCN(CC)CC(O)c1ccccc1 2230a_100000724800_100000185958 [0,1,0,0,0,1|2,0,0]=4 2184 B14R1.58 CCN(CC)CC(O)c1ccccc1 269956a_100000042499_100000185958 [0,1,0,0,0,1|2,0,0]=4 2185 B14R1.58 CCN(CC)C[C@@H](O)c1ccccc1 2230a_100000724800_100011933945 [0,1,0,0,0,1|2,0,0]=4 2186 B14R1.58 CCN(CC)C[C@@H](O)c1ccccc1 269956a_100000042499_100011933945 [0,1,0,0,0,1|2,0,0]=4 2187 B14R1.58 CC[C@@H](CO)NC(C)c1ccccc1 2230a_100000709445_100000230085 [0,1,0,0,0,1|2,0,0]=4 2188 B14R1.58 CC[C@@H](CO)NC(C)c1ccccc1 269862a_100000709445_100000185851 [0,1,0,0,0,1|2,0,0]=4 2189 B14R1.85 C#CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000035995 [0,1,0,0,0,1|1,0,1]=4 2190 B14R1.85 CC(C#N)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000703298 [0,1,0,0,0,1|2,0,0]=4 2191 B14R1.85 CCC(C)C(=O)C(C)c1ccccc1 1458a_100011192722_100000230085 [0,1,0,0,0,1|2,0,0]=4 2192 B14R1.85 CCC(C)C(=O)C(F)c1ccccc1 1458a_100000698975_100000758301 [0,1,0,0,0,1|2,0,0]=4 2193 B14R1.85 CCC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000758301 [0,1,0,0,0,1|2,0,0]=4 2194 B14R1.85 CCC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000758301 [0,1,0,0,0,1|1,0,0]=3 2195 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000758301 [0,1,0,0,0,1|2,0,0]=4 2196 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 2230a_100000741768_100000230085 [0,1,0,0,0,1|2,0,0]=4 2197 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000758301 [0,1,0,0,0,1|2,0,0]=4 2198 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 269982a_100000741768_100000230085 [0,1,0,0,0,1|2,0,0]=4 2199 B14R1.85 CCN(C)C(=O)[C@H](O)c1ccccc1 240690a_100000225621_100000684486 [0,1,0,0,0,1|2,0,0]=4 2200 B14R1.85 CNC(C)C(=O)N(C)c1ccccc1 2230a_106832991635_100000184165 [0,1,0,0,0,1|2,0,0]=4 2201 B14R1.85 CNC(C)C(=O)N(C)c1ccccc1 34a_100102657272_100000184165 [0,1,0,0,0,1|2,0,0]=4 2202 B14R1.85 CNC(C)C(=O)N(C)c1ccccc1 7a_106832991635_100000184165 [0,1,0,0,0,1|2,0,0]=4 2203 B14R1.85 COC(C)C(=O)C(C)c1ccccc1 1458a_100000743197_100000230085 [0,1,0,0,0,1|2,0,0]=4 2204 B14R1.85 COC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100009879195 [0,1,0,0,0,1|2,0,0]=4 2205 B14R1.85 CSC(C)C(=O)C(C)c1ccccc1 1458a_100000149566_100000230085 [0,1,0,0,0,1|2,0,0]=4 2206 B14R1.290 CCC(C)(C)NC(C)c1ccccc1 2230a_100000211385_100000230085 [0,1,0,0,0,1|2,0,0]=4 2207 B14R1.290 CCC(C)(C)OC(C)c1ccccc1 7a_100000210230_100000230085 [0,1,0,0,0,1|2,0,0]=4 2208 B14R1.290 CCC(C)(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210677 [0,1,0,0,0,1|2,0,0]=4 2209 B14R1.290 CCC(C)(C)SC(C)c1ccccc1 62a_100000032637_100000230085 [0,1,0,0,0,1|2,0,0]=4 2210 B14R1.290 CCC(C)(C)SC(C)c1ccccc1 62a_100000230085_100000032637 [0,1,0,0,0,1|2,0,0]=4 2211 B14R1.415 C=C(C)C(C)N[C@H](C)c1ccccc1 269862a_100000751104_100011216138 [0,1,0,0,0,1|2,0,0]=4 2212 B14R1.415 CC(=O)C(C)N[C@H](C)c1ccccc1 2230a_100000751104_100009814033 [0,1,0,0,0,1|2,0,0]=4 2213 B14R1.415 CC(=O)C(C)OC(C)c1ccccc1 34a_100000212229_100000211855 [0,1,0,0,0,1|2,0,0]=4 2214 B14R1.415 CC(=O)C(C)O[C@H](C)c1ccccc1 7a_100000761318_100000179758 [0,1,0,0,0,1|2,0,0]=4 2215 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100000230085_100009814033 [0,1,0,0,0,1|2,0,0]=4 2216 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100009814033_100000230085 [0,1,0,0,0,1|2,0,0]=4 2217 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 240690a_100000227976_100015343762 [0,1,0,0,0,1|2,0,0]=4 2218 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 527a_100000227976_100103153847 [0,1,0,0,0,1|2,0,0]=4 2219 B14R1.415 CC(C)N(C)CC(O)c1ccccc1 2230a_100000227976_100000210206 [0,1,0,0,0,1|2,0,0]=4 2220 B14R1.415 CC(C)N(C)CC(O)c1ccccc1 269982a_100000227976_100000210206 [0,1,0,0,0,1|2,0,0]=4 2221 B14R1.415 CC(NC(C)C(C)C)c1ccccc1 2230a_100000211541_100000230085 [0,1,0,0,0,1|2,0,0]=4 2222 B14R1.415 CC(NC(C)C(C)C)c1ccccc1 269862a_100000211541_100000185851 [0,1,0,0,0,1|2,0,0]=4 2223 B14R1.415 CC(OC(C)C(C)C)c1ccccc1 7a_100000748068_100000230085 [0,1,0,0,0,1|2,0,0]=4 2224 B14R1.415 CN(C)C(=O)CC(O)c1ccccc1 240690a_100102631434_100000690199 [0,1,0,0,0,1|1,0,1]=4 2225 B14R1.587 CCC(C)NC(C)c1ccccc1Br 2230a_100000181357_100000758301 [0,1,0,0,0,1|2,0,0]=4 2226 B14R1.587 CCC(C)NC(C)c1ccccc1Br 269862a_100000209981_100000187085 [0,1,0,0,0,1|2,0,0]=4 2227 B14R1.587 CCC(C)NC(C)c1ccccc1C 2230a_100000181355_100000758301 [0,1,0,0,0,1|2,0,0]=4 2228 B14R1.587 CCC(C)NC(C)c1ccccc1C 269862a_100000209981_100000211656 [0,1,0,0,0,1|2,0,0]=4 2229 B14R1.587 CCC(C)NC(C)c1ccccc1C 34a_100000181355_100011215416 [0,1,0,0,0,1|2,0,0]=4 2230 B14R1.587 CCC(C)NC(C)c1ccccc1Cl 2230a_100000174978_100000758301 [0,1,0,0,0,1|2,0,0]=4 2231 B14R1.587 CCC(C)NC(C)c1ccccc1Cl 2230a_100000209981_100000181259 [0,1,0,0,0,1|2,0,0]=4 2232 B14R1.587 CCC(C)NC(C)c1ccccc1Cl 269862a_100000209981_100000210134 [0,1,0,0,0,1|2,0,0]=4 2233 B14R1.587 CCC(C)NC(C)c1ccccc1Cl 34a_100000174978_100011215416 [0,1,0,0,0,1|2,0,0]=4 2234 B14R1.587 CCC(C)NC(C)c1ccccc1F 2230a_100000181408_100000758301 [0,1,0,0,0,1|2,0,0]=4 2235 B14R1.587 CCC(C)NC(C)c1ccccc1F 2230a_100000209981_200000741388 [0,1,0,0,0,1|2,0,0]=4 2236 B14R1.587 CCC(C)NC(C)c1ccccc1F 269862a_100000209981_100000210632 [0,1,0,0,0,1|2,0,0]=4 2237 B14R1.587 CCC(C)NC(C)c1ccccc1F 34a_100000181408_100011215416 [0,1,0,0,0,1|2,0,0]=4 2238 B14R1.587 CCC(C)NC(C)c1ccccc1I 269862a_100000209981_100000751169 [0,1,0,0,0,1|2,0,0]=4 2239 B14R1.587 CCC(C)N[C@H](C)c1ccccc1O 2230a_100025703389_100000758301 [0,1,0,0,0,1|2,0,0]=4 2240 B14R1.587 CCC(C)OC(C)c1ccccc1Br 34a_100000702211_100011215416 [0,1,0,0,0,1|2,0,0]=4 2241 B14R1.587 CCC(C)OC(C)c1ccccc1Br 7a_100000702211_100000758301 [0,1,0,0,0,1|2,0,0]=4 2242 B14R1.587 CCC(C)OC(C)c1ccccc1C 34a_100000742021_100011215416 [0,1,0,0,0,1|2,0,0]=4 2243 B14R1.587 CCC(C)OC(C)c1ccccc1C 7a_100000742021_100000758301 [0,1,0,0,0,1|2,0,0]=4 2244 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 34a_100000740796_100011215416 [0,1,0,0,0,1|2,0,0]=4 2245 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 7a_100000210228_100000181259 [0,1,0,0,0,1|2,0,0]=4 2246 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000758301 [0,1,0,0,0,1|2,0,0]=4 2247 B14R1.587 CCC(C)OC(C)c1ccccc1F 34a_100000697922_100011215416 [0,1,0,0,0,1|2,0,0]=4 2248 B14R1.587 CCC(C)OC(C)c1ccccc1F 7a_100000210228_200000741388 [0,1,0,0,0,1|2,0,0]=4 2249 B14R1.587 CCC(C)OC(C)c1ccccc1F 7a_100000697922_100000758301 [0,1,0,0,0,1|2,0,0]=4 2250 B14R1.587 CCC(C)OC(C)c1ccccc1N 7a_100011405641_100000758301 [0,1,0,0,0,1|2,0,0]=4 2251 B14R1.587 CCC(C)SC(C)c1ccccc1Cl 62a_100000181259_100000758301 [0,1,0,0,0,1|2,0,0]=4 2252 B14R1.587 CCC(C)SC(C)c1ccccc1Cl 62a_100000758301_100000181259 [0,1,0,0,0,1|2,0,0]=4 2253 B14R1.587 CCC(C)SC(C)c1ccccc1F 62a_100000758301_200000741388 [0,1,0,0,0,1|2,0,0]=4 2254 B14R1.587 CCC(C)SC(C)c1ccccc1F 62a_200000741388_100000758301 [0,1,0,0,0,1|2,0,0]=4 2255 B14R1.587 COC(C)SC(C)c1ccccc1Cl 62a_100000181259_100009879195 [0,1,0,0,0,1|2,0,0]=4 2256 B14R1.587 COC(C)SC(C)c1ccccc1Cl 62a_100009879195_100000181259 [0,1,0,0,0,1|2,0,0]=4 2257 B14R1.587 COC(C)SC(C)c1ccccc1F 62a_100009879195_200000741388 [0,1,0,0,0,1|2,0,0]=4 2258 B14R1.587 COC(C)SC(C)c1ccccc1F 62a_200000741388_100009879195 [0,1,0,0,0,1|2,0,0]=4 2259 B14R1.741 CC(CC(C)(C)c1ccccc1)N[13CH3] 2230a_100000746124_200025704644 [0,1,0,0,0,1|1,0,0]=3 2260 B14R1.741 CCC(C)NC(C)(C)c1ccccc1 2230a_100000209981_100000034625 [0,1,0,0,0,1|2,0,0]=4 2261 B14R1.741 CCC(C)NC(C)(C)c1ccccc1 2230a_100011218174_100000758301 [0,1,0,0,0,1|2,0,0]=4 2262 B14R1.741 CCC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000758301 [0,1,0,0,0,1|2,0,0]=4 2263 B14R1.741 CCC(C)OC(F)(F)c1ccccc1 7a_100000210228_100000036403 [0,1,0,0,0,1|2,0,0]=4 2264 B14R1.741 CCC(C)SC(C)(C)c1ccccc1 62a_100000034625_100000758301 [0,1,0,0,0,1|2,0,0]=4 2265 B14R1.741 CCC(C)SC(C)(C)c1ccccc1 62a_100000758301_100000034625 [0,1,0,0,0,1|2,0,0]=4 2266 B14R1.741 CCC(C)SC(F)(F)c1ccccc1 62a_100000758301_100000036403 [0,1,0,0,0,1|2,0,0]=4 2267 B14R1.741 CCN(C)CC(C)(O)c1ccccc1 2230a_100011660921_100000210202 [0,1,0,0,0,1|2,0,0]=4 2268 B14R1.741 CCN(C)CC(C)(O)c1ccccc1 269982a_100011660921_100000204670 [0,1,0,0,0,1|2,0,0]=4 2269 B14R1.741 CNC(C)CC(C)(C)c1ccccc1 2230a_100000746124_200000210301 [0,1,0,0,0,1|1,0,0]=3 2270 B14R1.741 CNC(C)CC(C)(C)c1ccccc1 270004a_106832991635_100000198046 [0,1,0,0,0,1|1,0,0]=3 2271 B14R1.741 COC(C)SC(C)(C)c1ccccc1 62a_100000034625_100009879195 [0,1,0,0,0,1|2,0,0]=4 2272 B14R1.741 COC(C)SC(C)(C)c1ccccc1 62a_100009879195_100000034625 [0,1,0,0,0,1|2,0,0]=4 2273 B14R1.741 COC(C)SC(F)(F)c1ccccc1 62a_100009879195_100000036403 [0,1,0,0,0,1|2,0,0]=4 2274 B14R1.3297 C#CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_200000035995 [0,1,0,0,0,1|1,0,1]=4 2275 B14R1.3297 C#CC(OC(C)CC)c1ccccc1 34a_100011219616_100011215416 [0,1,0,0,0,1|2,0,0]=4 2276 B14R1.3297 C#CC(OC(C)CC)c1ccccc1 7a_100011219616_100000758301 [0,1,0,0,0,1|2,0,0]=4 2277 B14R1.3297 C=CC(NC(C)CC)c1ccccc1 2230a_100000209981_200000085779 [0,1,0,0,0,1|2,0,0]=4 2278 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 34a_100011215659_100011215416 [0,1,0,0,0,1|2,0,0]=4 2279 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 7a_100011215659_100000758301 [0,1,0,0,0,1|2,0,0]=4 2280 B14R1.3297 C=CC(SC(C)CC)c1ccccc1 62a_100000758301_200000085779 [0,1,0,0,0,1|2,0,0]=4 2281 B14R1.3297 C=CC(SC(C)CC)c1ccccc1 62a_200000085779_100000758301 [0,1,0,0,0,1|2,0,0]=4 2282 B14R1.3297 C=CC(SC(C)OC)c1ccccc1 62a_100009879195_200000085779 [0,1,0,0,0,1|2,0,0]=4 2283 B14R1.3297 C=CC(SC(C)OC)c1ccccc1 62a_200000085779_100009879195 [0,1,0,0,0,1|2,0,0]=4 2284 B14R1.3297 CC(C#N)N[C@H](CO)c1ccccc1 2230a_100000751927_100000184139 [0,1,0,0,0,1|2,0,0]=4 2285 B14R1.3297 CC(CO)N[C@H](CO)c1ccccc1 2230a_100000751927_100012180447 [0,1,0,0,0,1|2,0,0]=4 2286 B14R1.3297 CC(CO)N[C@H](CO)c1ccccc1 34a_100000751927_100012180447 [0,1,0,0,0,1|2,0,0]=4 2287 B14R1.3297 CCC(C)NC(CC)c1ccccc1 2230a_100000737752_100000758301 [0,1,0,0,0,1|2,0,0]=4 2288 B14R1.3297 CCC(C)NC(CC)c1ccccc1 269862a_100000209981_100000210124 [0,1,0,0,0,1|2,0,0]=4 2289 B14R1.3297 CCC(C)NC(CO)c1ccccn1 2230a_100015196888_100000758301 [0,1,0,0,0,1|2,0,0]=4 2290 B14R1.3297 CCC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000758301 [0,1,0,0,0,1|1,0,0]=3 2291 B14R1.3297 CCC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100011215416 [0,1,0,0,0,1|1,0,0]=3 2292 B14R1.3297 CCC(C)N[C@H](CO)c1ccncc1 2230a_100138412524_100000758301 [0,1,0,0,0,1|2,0,0]=4 2293 B14R1.3297 CCC(C)OC(C#N)c1ccccc1 7a_100011217353_100000758301 [0,1,0,0,0,1|2,0,0]=4 2294 B14R1.3297 CCC(C)OC(CBr)c1ccccc1 7a_100000185958_100000758301 [0,1,0,0,0,1|2,0,0]=4 2295 B14R1.3297 CCC(C)OC(CC)c1ccccc1 34a_100000698172_100011215416 [0,1,0,0,0,1|2,0,0]=4 2296 B14R1.3297 CCC(C)OC(CC)c1ccccc1 7a_100000698172_100000758301 [0,1,0,0,0,1|2,0,0]=4 2297 B14R1.3297 CCC(C)OC(CN)c1ccccc1 34a_100000210709_100011215416 [0,1,0,0,0,1|2,0,0]=4 2298 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100011215416 [0,1,0,0,0,1|2,0,0]=4 2299 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000758301 [0,1,0,0,0,1|2,0,0]=4 2300 B14R1.3297 CNC(=O)CC(CO)c1ccccc1 1626a_100102657272_106726389045 [0,1,0,0,0,1|1,0,1]=4 2301 B14R1.3297 CNC(=O)CC(CO)c1ccccc1 240690a_100102657272_106726389045 [0,1,0,0,0,1|1,0,1]=4 2302 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 2708a_100102657272_100000751927 [0,1,0,0,0,1|1,0,1]=4 2303 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100102657272 [0,1,0,0,0,1|1,0,1]=4 2304 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 273464a_100102657272_100000751927 [0,1,0,0,0,1|1,0,1]=4 2305 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 512a_106832991638_100000751927 [0,1,0,0,0,1|1,0,1]=4 2306 B14R1.60 CC(NCF)C(=O)Nc1ccccc1 34a_100000754830_100015361967 [0,1,0,0,0,1|0,0,2]=4 2307 B14R1.60 CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100015525214_100009816399 [0,1,0,0,0,1|1,0,1]=4 2308 B14R1.60 CCNC(C)C(=O)Nc1ccccc1 2230a_100000754830_100000210202 [0,1,0,0,0,1|0,0,2]=4 2309 B14R1.60 CCNC(C)C(=O)Nc1ccccc1 2230a_100015525214_100000183986 [0,1,0,0,0,1|0,0,2]=4 2310 B14R1.60 CCNC(C)C(=O)Nc1ccccc1 34a_100000754830_100000210202 [0,1,0,0,0,1|0,0,2]=4 2311 B14R1.60 CCNC(C)C(C)Cc1ccccc1 269862a_100015525214_200011390852 [0,1,0,0,0,1|1,0,0]=3 2312 B14R1.60 CCNC(C)C(C)Cc1ccccc1 270004a_100015525214_200011390852 [0,1,0,0,0,1|1,0,0]=3 2313 B14R1.60 CCNC(C)C(C)Oc1ccccc1 270004a_100015525214_100000150574 [0,1,0,0,0,1|1,0,0]=3 2314 B14R1.60 CNNC(=O)[C@H](O)Cc1ccccc1 22a_100016993582_100009816399 [0,1,0,0,0,1|1,0,1]=4 2315 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)Cl 240690a_100102657272_100012362158 [0,1,0,0,0,1|1,0,1]=4 2316 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)F 240690a_100102657272_100012179405 [0,1,0,0,0,1|1,0,1]=4 2317 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O 240690a_100102657272_100015278814 [0,1,0,0,0,1|1,0,1]=4 2318 B14R1.134 CNC(=O)[C@@H](O)Cc1ccc(cc1)Br 240690a_100102657272_200015644258 [0,1,0,0,0,1|1,0,1]=4 2319 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)Br 2230a_106832991635_100000183840 [0,1,0,0,0,1|0,0,2]=4 2320 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)Br 34a_100102657272_100000183840 [0,1,0,0,0,1|0,0,2]=4 2321 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)Br 7a_106832991635_100000183840 [0,1,0,0,0,1|0,0,2]=4 2322 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)C 2230a_106832991635_100000183283 [0,1,0,0,0,1|0,0,2]=4 2323 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)C 34a_100102657272_100000183283 [0,1,0,0,0,1|0,0,2]=4 2324 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)C 7a_106832991635_100000183283 [0,1,0,0,0,1|0,0,2]=4 2325 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)Cl 2230a_106832991635_100000184327 [0,1,0,0,0,1|0,0,2]=4 2326 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)Cl 34a_100102657272_100000184327 [0,1,0,0,0,1|0,0,2]=4 2327 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)Cl 7a_106832991635_100000184327 [0,1,0,0,0,1|0,0,2]=4 2328 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)F 2230a_106832991635_100000184441 [0,1,0,0,0,1|0,0,2]=4 2329 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)F 34a_100102657272_100000184441 [0,1,0,0,0,1|0,0,2]=4 2330 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)F 7a_106832991635_100000184441 [0,1,0,0,0,1|0,0,2]=4 2331 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)I 2230a_106832991635_100000735916 [0,1,0,0,0,1|0,0,2]=4 2332 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)I 34a_100102657272_100000735916 [0,1,0,0,0,1|0,0,2]=4 2333 B14R1.134 CNC(C)C(=O)Nc1ccc(cc1)I 7a_106832991635_100000735916 [0,1,0,0,0,1|0,0,2]=4 2334 B14R1.135 CNC(=O)C(O)Cc1cccc(c1)Br 240690a_100102657272_100012362086 [0,1,0,0,0,1|1,0,1]=4 2335 B14R1.135 CNC(=O)[C@@H](O)Cc1cccc(c1)F 240690a_100102657272_200016142683 [0,1,0,0,0,1|1,0,1]=4 2336 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)Br 2230a_106832991635_100000230276 [0,1,0,0,0,1|0,0,2]=4 2337 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)Br 34a_100102657272_100000230276 [0,1,0,0,0,1|0,0,2]=4 2338 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)Br 7a_106832991635_100000230276 [0,1,0,0,0,1|0,0,2]=4 2339 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)C 2230a_106832991635_100000211414 [0,1,0,0,0,1|0,0,2]=4 2340 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)C 34a_100102657272_100000211414 [0,1,0,0,0,1|0,0,2]=4 2341 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)C 7a_106832991635_100000211414 [0,1,0,0,0,1|0,0,2]=4 2342 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)Cl 2230a_106832991635_100000183479 [0,1,0,0,0,1|0,0,2]=4 2343 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)Cl 34a_100102657272_100000183479 [0,1,0,0,0,1|0,0,2]=4 2344 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)Cl 7a_106832991635_100000183479 [0,1,0,0,0,1|0,0,2]=4 2345 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)F 2230a_106832991635_100000230282 [0,1,0,0,0,1|0,0,2]=4 2346 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)F 34a_100102657272_100000230282 [0,1,0,0,0,1|0,0,2]=4 2347 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)F 7a_106832991635_100000230282 [0,1,0,0,0,1|0,0,2]=4 2348 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)I 2230a_106832991635_100000735937 [0,1,0,0,0,1|0,0,2]=4 2349 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)I 34a_100102657272_100000735937 [0,1,0,0,0,1|0,0,2]=4 2350 B14R1.135 CNC(C)C(=O)Nc1cccc(c1)I 7a_106832991635_100000735937 [0,1,0,0,0,1|0,0,2]=4 2351 B14R1.296 CC(C)(N[13CH3])C(=O)Nc1ccccc1 2230a_100025771217_200025704644 [0,1,0,0,0,1|0,0,2]=4 2352 B14R1.296 CC(C)(N[13CH3])C(=O)Nc1ccccc1 34a_100025771217_200025704644 [0,1,0,0,0,1|0,0,2]=4 2353 B14R1.296 CNC(C)(C)C(=O)Nc1ccccc1 2230a_100025771217_200000210301 [0,1,0,0,0,1|0,0,2]=4 2354 B14R1.296 CNC(C)(C)C(=O)Nc1ccccc1 2230a_106832991635_100000686230 [0,1,0,0,0,1|0,0,2]=4 2355 B14R1.296 CNC(C)(C)C(=O)Nc1ccccc1 34a_100025771217_200000210301 [0,1,0,0,0,1|0,0,2]=4 2356 B14R1.296 CNC(C)(C)C(=O)Nc1ccccc1 34a_100102657272_100000686230 [0,1,0,0,0,1|0,0,2]=4 2357 B14R1.296 CNC(C)(C)C(=O)Nc1ccccc1 7a_106832991635_100000686230 [0,1,0,0,0,1|0,0,2]=4 2358 B14R1.425 CC(C(=O)Nc1ccccc1)N(C)C 2230a_100102631434_100000183986 [0,1,0,0,0,1|0,0,2]=4 2359 B14R1.425 CC(C(=O)Nc1ccccc1)N(C)C 269982a_100102631434_100000183986 [0,1,0,0,0,1|0,0,2]=4 2360 B14R1.425 CC(Cc1ccccc1)C(C)N(C)C 270004a_100102631434_200011390852 [0,1,0,0,0,1|1,0,0]=3 2361 B14R1.425 CC(Oc1ccccc1)C(C)N(C)C 270004a_100102631434_100000150574 [0,1,0,0,0,1|1,0,0]=3 2362 B14R1.425 CN(C)C(=O)[C@H](O)Cc1ccccc1 240690a_100102631434_100009816399 [0,1,0,0,0,1|1,0,1]=4 2363 B14R1.425 C[C@@H](C(=O)Cc1ccccc1)N(C)C 1458a_100009822176_100015291786 [0,1,0,0,0,1|0,0,2]=4 2364 B14R1.425 C[C@@H](C(=O)Nc1ccccc1)N(C)C 22a_100000106764_100009822176 [0,1,0,0,0,1|0,0,2]=4 2365 B14R1.425 C[C@@H](C(=O)Nc1ccccc1)N(C)C 527a_100000106764_100009822176 [0,1,0,0,0,1|0,0,2]=4 2366 B14R1.532 CCC(NC)C(=O)Nc1ccccc1 2230a_106832991635_100000021906 [0,1,0,0,0,1|0,0,2]=4 2367 B14R1.532 CCC(NC)C(=O)Nc1ccccc1 34a_100102657272_100000021906 [0,1,0,0,0,1|0,0,2]=4 2368 B14R1.532 CCC(NC)C(=O)Nc1ccccc1 7a_106832991635_100000021906 [0,1,0,0,0,1|0,0,2]=4 2369 B14R1.532 COC(OC)C(C)Nc1ccccc1 34a_100000106764_100011222894 [0,1,0,0,0,1|2,0,0]=4 2370 B14R1.532 COC(OC)C(C)Oc1ccccc1 34a_100000210340_100011222894 [0,1,0,0,0,1|2,0,0]=4 2371 B14R1.532 COC(OC)C(C)Sc1ccccc1 62a_100000719477_100011222894 [0,1,0,0,0,1|2,0,0]=4 2372 B14R1.532 COC(OC)C(C)Sc1ccccc1 62a_100011222894_100000041952 [0,1,0,0,0,1|2,0,0]=4 2373 B14R1.532 CO[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_200000210301 [0,1,0,0,0,1|2,0,0]=4 2374 B14R1.532 [13CH3]O[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_200025704644 [0,1,0,0,0,1|2,0,0]=4 2375 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Br 240690a_100102657272_100012382637 [0,1,0,0,0,1|1,0,1]=4 2376 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Cl 240690a_100102657272_100000703902 [0,1,0,0,0,1|1,0,1]=4 2377 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Cl 527a_100102657272_100000703902 [0,1,0,0,0,1|1,0,1]=4 2378 B14R1.1007 CNC(C)C(=O)Nc1ccccc1Br 2230a_106832991635_100000735908 [0,1,0,0,0,1|0,0,2]=4 2379 B14R1.1007 CNC(C)C(=O)Nc1ccccc1Br 7a_106832991635_100000735908 [0,1,0,0,0,1|0,0,2]=4 2380 B14R1.1007 CNC(C)C(=O)Nc1ccccc1C 2230a_106832991635_100000181170 [0,1,0,0,0,1|0,0,2]=4 2381 B14R1.1007 CNC(C)C(=O)Nc1ccccc1C 34a_100102657272_100000181170 [0,1,0,0,0,1|0,0,2]=4 2382 B14R1.1007 CNC(C)C(=O)Nc1ccccc1C 7a_106832991635_100000181170 [0,1,0,0,0,1|0,0,2]=4 2383 B14R1.1007 CNC(C)C(=O)Nc1ccccc1Cl 2230a_106832991635_100000230270 [0,1,0,0,0,1|0,0,2]=4 2384 B14R1.1007 CNC(C)C(=O)Nc1ccccc1Cl 7a_106832991635_100000230270 [0,1,0,0,0,1|0,0,2]=4 2385 B14R1.1007 CNC(C)C(=O)Nc1ccccc1F 2230a_106832991635_100000183841 [0,1,0,0,0,1|0,0,2]=4 2386 B14R1.1007 CNC(C)C(=O)Nc1ccccc1F 34a_100102657272_100000183841 [0,1,0,0,0,1|0,0,2]=4 2387 B14R1.1007 CNC(C)C(=O)Nc1ccccc1F 7a_106832991635_100000183841 [0,1,0,0,0,1|0,0,2]=4 2388 B14R1.1007 CNC(C)C(=O)Nc1ccccc1I 2230a_106832991635_100000735912 [0,1,0,0,0,1|0,0,2]=4 2389 B14R1.1007 CNC(C)C(=O)Nc1ccccc1I 34a_100102657272_100000735912 [0,1,0,0,0,1|0,0,2]=4 2390 B14R1.1007 CNC(C)C(=O)Nc1ccccc1I 7a_106832991635_100000735912 [0,1,0,0,0,1|0,0,2]=4 2391 B14R1.1031 CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210202 [0,1,0,0,0,1|2,0,0]=4 2392 B14R1.1031 CCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000204670 [0,1,0,0,0,1|2,0,0]=4 2393 B14R1.7 CCc1ccc(cc1)C(=O)C(C)NC 2230a_106832991635_100000183974 [0,2,0,0,0,0|0,0,2]=4 2394 B14R1.7 CCc1ccc(cc1)C(=O)C(C)NC 7a_106832991635_100000183974 [0,2,0,0,0,0|0,0,2]=4 2395 B14R1.7 CNC(=O)C(O)c1ccc(cc1)OC 240690a_100102657272_100011218652 [0,2,0,0,0,0|1,0,1]=4 2396 B14R1.7 CNC(C)C(=O)c1ccc(cc1)OC 2230a_106832991635_100000742912 [0,2,0,0,0,0|0,0,2]=4 2397 B14R1.7 CNC(C)C(=O)c1ccc(cc1)OC 7a_106832991635_100000742912 [0,2,0,0,0,0|0,0,2]=4 2398 B14R1.35 CCNC(=O)C(O)c1ccc(cc1)Br 240690a_100015525214_100000756554 [0,2,0,0,0,0|1,0,1]=4 2399 B14R1.35 CCNC(=O)C(O)c1ccc(cc1)F 240690a_100015525214_100000209909 [0,2,0,0,0,0|1,0,1]=4 2400 B14R1.35 CCNC(=O)C(O)c1ccc(cc1)O 240690a_100015525214_100011215213 [0,2,0,0,0,0|1,0,1]=4 2401 B14R1.35 CCNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100015525214_100009815954 [0,2,0,0,0,0|1,0,1]=4 2402 B14R1.35 CCNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100015525214_100009817493 [0,2,0,0,0,0|1,0,1]=4 2403 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)Br 2230a_100015525214_100000184162 [0,2,0,0,0,0|0,0,2]=4 2404 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)C 2230a_100015525214_100000726416 [0,2,0,0,0,0|0,0,2]=4 2405 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)Cl 2230a_100015525214_100000183210 [0,2,0,0,0,0|0,0,2]=4 2406 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)F 2230a_100015525214_100000229918 [0,2,0,0,0,0|0,0,2]=4 2407 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)O 2230a_100015525214_200010205864 [0,2,0,0,0,0|0,0,2]=4 2408 B14R1.35 CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210202 [0,2,0,0,0,0|0,0,0]=2 2409 B14R1.35 CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210202 [0,2,0,0,0,0|0,0,0]=2 2410 B14R1.35 CNNC(=O)C(O)c1ccc(cc1)Br 22a_100016993582_100000756554 [0,2,0,0,0,0|1,0,1]=4 2411 B14R1.35 CNNC(=O)C(O)c1ccc(cc1)F 22a_100016993582_100000209909 [0,2,0,0,0,0|1,0,1]=4 2412 B14R1.35 CNNC(=O)C(O)c1ccc(cc1)O 22a_100016993582_100011215213 [0,2,0,0,0,0|1,0,1]=4 2413 B14R1.35 CNNC(=O)[C@H](O)c1ccc(cc1)C 22a_100016993582_100009815954 [0,2,0,0,0,0|1,0,1]=4 2414 B14R1.35 CNNC(=O)[C@H](O)c1ccc(cc1)Cl 22a_100016993582_100009817493 [0,2,0,0,0,0|1,0,1]=4 2415 B14R1.35 C[C@@H](NCF)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100015361967 [0,2,0,0,0,0|0,0,0]=2 2416 B14R1.88 CCC(NC)C(=O)c1ccc(cc1)Cl 7a_106832991635_100000689024 [0,2,0,0,0,0|0,0,2]=4 2417 B14R1.132 CC(C(=O)c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000184162 [0,2,0,0,0,0|0,0,2]=4 2418 B14R1.132 CC(C(=O)c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000184162 [0,2,0,0,0,0|0,0,2]=4 2419 B14R1.132 CC(C(=O)c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000183210 [0,2,0,0,0,0|0,0,2]=4 2420 B14R1.132 CC(C(=O)c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000183210 [0,2,0,0,0,0|0,0,2]=4 2421 B14R1.132 CC(C(=O)c1ccc(cc1)F)N(C)C 2230a_100102631434_100000229918 [0,2,0,0,0,0|0,0,2]=4 2422 B14R1.132 CC(C(=O)c1ccc(cc1)F)N(C)C 269982a_100102631434_100000229918 [0,2,0,0,0,0|0,0,2]=4 2423 B14R1.132 CC(C(=O)c1ccc(cc1)O)N(C)C 2230a_100102631434_200010205864 [0,2,0,0,0,0|0,0,2]=4 2424 B14R1.132 CC(C(=O)c1ccc(cc1)O)N(C)C 269982a_100102631434_200010205864 [0,2,0,0,0,0|0,0,2]=4 2425 B14R1.132 CN(C)C(=O)C(O)c1ccc(cc1)Br 240690a_100102631434_100000756554 [0,2,0,0,0,0|1,0,1]=4 2426 B14R1.132 CN(C)C(=O)C(O)c1ccc(cc1)F 240690a_100102631434_100000209909 [0,2,0,0,0,0|1,0,1]=4 2427 B14R1.132 CN(C)C(=O)C(O)c1ccc(cc1)O 240690a_100102631434_100011215213 [0,2,0,0,0,0|1,0,1]=4 2428 B14R1.132 CN(C)C(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102631434_100009817493 [0,2,0,0,0,0|1,0,1]=4 2429 B14R1.132 Cc1ccc(cc1)C(=O)C(C)N(C)C 2230a_100102631434_100000726416 [0,2,0,0,0,0|0,0,2]=4 2430 B14R1.132 Cc1ccc(cc1)C(=O)C(C)N(C)C 269982a_100102631434_100000726416 [0,2,0,0,0,0|0,0,2]=4 2431 B14R1.132 Cc1ccc(cc1)[C@@H](O)C(=O)N(C)C 240690a_100102631434_100009815954 [0,2,0,0,0,0|1,0,1]=4 2432 B14R1.305 CC(C)(O[13CH3])C(N)c1ccc(cc1)F 34a_200010458951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2433 B14R1.305 CNC(C)(C)C(=O)c1ccc(cc1)Cl 7a_106832991635_200010097689 [0,2,0,0,0,0|0,0,2]=4 2434 B14R1.305 COC(C)(C)C(N)c1ccc(cc1)F 34a_200010458951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2435 B14R1.710 CNC(=O)C(OC)c1ccc(cc1)Cl 11a_106832991635_100012350483 [0,2,0,0,0,0|1,0,1]=4 2436 B14R1.710 CNC(=O)C(OC)c1ccc(cc1)Cl 1626a_100102657272_100012350483 [0,2,0,0,0,0|1,0,1]=4 2437 B14R1.710 CNC(=O)C(OC)c1ccc(cc1)Cl 240690a_100102657272_100012350483 [0,2,0,0,0,0|1,0,1]=4 2438 B14R1.710 CNC(=O)C(OC)c1ccc(cc1)Cl 527a_100102657272_100012350483 [0,2,0,0,0,0|1,0,1]=4 2439 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)F)F 240690a_100102657272_100011217530 [0,2,0,0,0,0|1,0,1]=4 2440 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100102657272_200000032065 [0,2,0,0,0,0|1,0,1]=4 2441 B14R1.1003 CNC(C)C(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183998 [0,2,0,0,0,0|0,0,2]=4 2442 B14R1.1003 CNC(C)C(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183998 [0,2,0,0,0,0|0,0,2]=4 2443 B14R1.1003 CNC(C)C(=O)c1ccc(c(c1)Cl)C 2230a_106832991635_200009814090 [0,2,0,0,0,0|0,0,2]=4 2444 B14R1.1003 CNC(C)C(=O)c1ccc(c(c1)Cl)C 34a_100102657272_200009814090 [0,2,0,0,0,0|0,0,2]=4 2445 B14R1.1003 CNC(C)C(=O)c1ccc(c(c1)Cl)C 7a_106832991635_200009814090 [0,2,0,0,0,0|0,0,2]=4 2446 B14R1.1013 CNC(=O)C(C)(O)c1ccc(cc1)C 240690a_100102657272_100011434902 [0,2,0,0,0,0|1,0,1]=4 2447 B14R1.1013 CNC(=O)C(C)(O)c1ccc(cc1)Cl 240690a_100102657272_100000695402 [0,2,0,0,0,0|1,0,1]=4 2448 B14R1.2819 CNC(=O)C(O)c1ccc(cc1F)Br 240690a_100102657272_100011356516 [0,2,0,0,0,0|1,0,1]=4 2449 B14R1.2819 CNC(=O)C(O)c1ccc(cc1F)F 240690a_100102657272_100011216397 [0,2,0,0,0,0|1,0,1]=4 2450 B14R1.2819 CNC(C)C(=O)c1ccc(cc1F)F 2230a_106832991635_100000233463 [0,2,0,0,0,0|0,0,2]=4 2451 B14R1.2819 CNC(C)C(=O)c1ccc(cc1F)F 34a_100102657272_100000233463 [0,2,0,0,0,0|0,0,2]=4 2452 B14R1.2819 CNC(C)C(=O)c1ccc(cc1F)F 7a_106832991635_100000233463 [0,2,0,0,0,0|0,0,2]=4 2453 B14R1.18 CNC(=O)C(O)c1cccc(c1F)F 240690a_100102657272_200011215923 [0,2,0,0,0,0|1,0,1]=4 2454 B14R1.36 CCNC(=O)C(O)c1cccc(c1)C 240690a_100015525214_100011434945 [0,2,0,0,0,0|1,0,1]=4 2455 B14R1.36 CCNC(=O)C(O)c1cccc(c1)Cl 240690a_100015525214_100011216955 [0,2,0,0,0,0|1,0,1]=4 2456 B14R1.36 CCNC(=O)C(O)c1cccc(c1)F 240690a_100015525214_100011434943 [0,2,0,0,0,0|1,0,1]=4 2457 B14R1.36 CCNC(C)C(=O)c1cccc(c1)Br 2230a_100015525214_100012349134 [0,2,0,0,0,0|0,0,2]=4 2458 B14R1.36 CCNC(C)C(=O)c1cccc(c1)Cl 2230a_100015525214_100000184413 [0,2,0,0,0,0|0,0,2]=4 2459 B14R1.36 CCNC(C)C(=O)c1cccc(c1)F 2230a_100015525214_100012356231 [0,2,0,0,0,0|0,0,2]=4 2460 B14R1.36 CNNC(=O)C(O)c1cccc(c1)C 22a_100016993582_100011434945 [0,2,0,0,0,0|1,0,1]=4 2461 B14R1.36 CNNC(=O)C(O)c1cccc(c1)Cl 22a_100016993582_100011216955 [0,2,0,0,0,0|1,0,1]=4 2462 B14R1.36 CNNC(=O)C(O)c1cccc(c1)F 22a_100016993582_100011434943 [0,2,0,0,0,0|1,0,1]=4 2463 B14R1.150 CC(C(=O)c1cccc(c1)Br)N(C)C 2230a_100102631434_100012349134 [0,2,0,0,0,0|0,0,2]=4 2464 B14R1.150 CC(C(=O)c1cccc(c1)Br)N(C)C 269982a_100102631434_100012349134 [0,2,0,0,0,0|0,0,2]=4 2465 B14R1.150 CC(C(=O)c1cccc(c1)Cl)N(C)C 2230a_100102631434_100000184413 [0,2,0,0,0,0|0,0,2]=4 2466 B14R1.150 CC(C(=O)c1cccc(c1)Cl)N(C)C 269982a_100102631434_100000184413 [0,2,0,0,0,0|0,0,2]=4 2467 B14R1.150 CC(C(=O)c1cccc(c1)F)N(C)C 2230a_100102631434_100012356231 [0,2,0,0,0,0|0,0,2]=4 2468 B14R1.150 CC(C(=O)c1cccc(c1)F)N(C)C 269982a_100102631434_100012356231 [0,2,0,0,0,0|0,0,2]=4 2469 B14R1.150 CN(C)C(=O)C(O)c1cccc(c1)Cl 240690a_100102631434_100011216955 [0,2,0,0,0,0|1,0,1]=4 2470 B14R1.150 CN(C)C(=O)C(O)c1cccc(c1)F 240690a_100102631434_100011434943 [0,2,0,0,0,0|1,0,1]=4 2471 B14R1.150 Cc1cccc(c1)C(O)C(=O)N(C)C 240690a_100102631434_100011434945 [0,2,0,0,0,0|1,0,1]=4 2472 B14R1.711 CNC(=O)C(OC)c1cccc(c1)Cl 11a_106832991635_100012350482 [0,2,0,0,0,0|1,0,1]=4 2473 B14R1.711 CNC(=O)C(OC)c1cccc(c1)Cl 1626a_100102657272_100012350482 [0,2,0,0,0,0|1,0,1]=4 2474 B14R1.711 CNC(=O)C(OC)c1cccc(c1)Cl 240690a_100102657272_100012350482 [0,2,0,0,0,0|1,0,1]=4 2475 B14R1.711 CNC(=O)C(OC)c1cccc(c1)Cl 527a_100102657272_100012350482 [0,2,0,0,0,0|1,0,1]=4 2476 B14R1.988 CNC(=O)C(O)c1cc(ccc1C)C 240690a_100102657272_100011497465 [0,2,0,0,0,0|1,0,1]=4 2477 B14R1.988 CNC(=O)C(O)c1cc(ccc1F)F 240690a_100102657272_200011216140 [0,2,0,0,0,0|1,0,1]=4 2478 B14R1.988 CNC(C)C(=O)c1cc(ccc1C)C 2230a_106832991635_100000184000 [0,2,0,0,0,0|0,0,2]=4 2479 B14R1.988 CNC(C)C(=O)c1cc(ccc1C)C 34a_100102657272_100000184000 [0,2,0,0,0,0|0,0,2]=4 2480 B14R1.988 CNC(C)C(=O)c1cc(ccc1C)C 7a_106832991635_100000184000 [0,2,0,0,0,0|0,0,2]=4 2481 B14R1.988 CNC(C)C(=O)c1cc(ccc1F)F 2230a_106832991635_100000752636 [0,2,0,0,0,0|0,0,2]=4 2482 B14R1.988 CNC(C)C(=O)c1cc(ccc1F)F 34a_100102657272_100000752636 [0,2,0,0,0,0|0,0,2]=4 2483 B14R1.988 CNC(C)C(=O)c1cc(ccc1F)F 7a_106832991635_100000752636 [0,2,0,0,0,0|0,0,2]=4 2484 B14R1.993 CNC(=O)C(O)c1cc(cc(c1)F)F 240690a_100102657272_100011218751 [0,2,0,0,0,0|1,0,1]=4 2485 B14R1.166 C#CCNC(=O)[C@H](O)c1ccccc1 240690a_100000212058_100000684486 [0,2,0,0,0,0|1,0,1]=4 2486 B14R1.166 C#CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000184674 [0,2,0,0,0,0|2,0,0]=4 2487 B14R1.166 C=CCNC(=O)[C@H](O)c1ccccc1 240690a_100020586998_100000684486 [0,2,0,0,0,0|1,0,1]=4 2488 B14R1.166 C=CCNC(C)C(=O)c1ccccc1 2230a_100020586998_100000239700 [0,2,0,0,0,0|0,0,2]=4 2489 B14R1.166 C=CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100015514636 [0,2,0,0,0,0|2,0,0]=4 2490 B14R1.166 CC(NCCO)C(=O)c1ccccc1 2230a_100016997473_100000239700 [0,2,0,0,0,0|0,0,2]=4 2491 B14R1.166 CCCNC(=O)[C@H](O)c1ccccc1 240690a_100020643023_100000684486 [0,2,0,0,0,0|1,0,1]=4 2492 B14R1.166 CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210303 [0,2,0,0,0,0|2,0,0]=4 2493 B14R1.166 CCNCC(C)N(C)c1ccccc1 2230a_100000245588_100000210202 [0,2,0,0,0,0|2,0,0]=4 2494 B14R1.166 CCNNC(=O)[C@H](O)c1ccccc1 22a_100000756455_100000684486 [0,2,0,0,0,0|1,0,1]=4 2495 B14R1.166 CSCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100011218213 [0,2,0,0,0,0|2,0,0]=4 2496 B14R1.166 C[C@H](OCC=O)[C@@H](N)c1ccccc1 34a_100134616770_200009817547 [0,2,0,0,0,0|2,0,0]=4 2497 B14R1.166 C[C@H](OCCF)[C@@H](N)c1ccccc1 34a_100134616770_100011217306 [0,2,0,0,0,0|2,0,0]=4 2498 B14R1.166 C[C@H](OCCO)[C@@H](N)c1ccccc1 34a_100134616770_100000211926 [0,2,0,0,0,0|2,0,0]=4 2499 B14R1.166 O=C(NCCF)[C@H](O)c1ccccc1 240690a_100000724931_100000684486 [0,2,0,0,0,0|1,0,1]=4 2500 B14R1.166 O=C(NCCO)[C@H](O)c1ccccc1 240690a_100000210304_100000684486 [0,2,0,0,0,0|1,0,1]=4 2501 B14R1.417 CC(C)NC(=O)[C@H](O)c1ccccc1 240690a_100138425928_100000684486 [0,2,0,0,0,0|1,0,1]=4 2502 B14R1.417 CC(C)NC(C)C(=O)c1ccccc1 2230a_100138425928_100000239700 [0,2,0,0,0,0|0,0,2]=4 2503 B14R1.417 CC(C)O[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210206 [0,2,0,0,0,0|2,0,0]=4 2504 B14R1.417 CC(CN(C)C)N(C)c1ccccc1 269982a_100000210012_100020606517 [0,2,0,0,0,0|2,0,0]=4 2505 B14R1.478 CCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000210202 [0,2,0,0,0,0|0,0,0]=2 2506 B14R1.510 CCNC(=O)[C@](C)(O)c1ccccc1 240690a_100015525214_100000753667 [0,2,0,0,0,0|1,0,1]=4 2507 B14R1.510 CNNC(=O)[C@](C)(O)c1ccccc1 22a_100016993582_100000753667 [0,2,0,0,0,0|1,0,1]=4 2508 B14R1.604 CCNC(=O)C(CO)c1ccccc1 240690a_100015525214_100011218805 [0,2,0,0,0,0|1,0,1]=4 2509 B14R1.604 CCNC(=O)C(OC)c1ccccc1 34a_200000215474_200000210301 [0,2,0,0,0,0|1,0,1]=4 2510 B14R1.604 CCNC(=O)C(OC)c1ccccc1 7a_200000215474_200000210301 [0,2,0,0,0,0|1,0,1]=4 2511 B14R1.604 CCNC(=O)C(O[13CH3])c1ccccc1 34a_200000215474_200025704644 [0,2,0,0,0,0|1,0,1]=4 2512 B14R1.604 CCNC(=O)C(O[13CH3])c1ccccc1 7a_200000215474_200025704644 [0,2,0,0,0,0|1,0,1]=4 2513 B14R1.604 CCNC(=O)[C@H](OC)c1ccccc1 11a_100015525214_100000698336 [0,2,0,0,0,0|1,0,1]=4 2514 B14R1.604 CCNC(=O)[C@H](OC)c1ccccc1 240690a_100015525214_100000698336 [0,2,0,0,0,0|1,0,1]=4 2515 B14R1.604 CCNC(=O)[C@H](OC)c1ccccc1 527a_100015525214_100000698336 [0,2,0,0,0,0|1,0,1]=4 2516 B14R1.604 CNNC(=O)C(CO)c1ccccc1 22a_100016993582_100011218805 [0,2,0,0,0,0|1,0,1]=4 2517 B14R1.604 CNNC(=O)[C@H](OC)c1ccccc1 22a_100016993582_100000698336 [0,2,0,0,0,0|1,0,1]=4 2518 B14R1.3348 CCNC(=O)C(O)c1ccccc1Br 240690a_100015525214_200011356456 [0,2,0,0,0,0|1,0,1]=4 2519 B14R1.3348 CCNC(=O)C(O)c1ccccc1Cl 240690a_100015525214_100011217820 [0,2,0,0,0,0|1,0,1]=4 2520 B14R1.3348 CCNC(=O)C(O)c1ccccc1F 240690a_100015525214_100011219519 [0,2,0,0,0,0|1,0,1]=4 2521 B14R1.3348 CCNC(C)C(=O)c1ccccc1Cl 2230a_100015525214_100010255250 [0,2,0,0,0,0|0,0,2]=4 2522 B14R1.3348 CNNC(=O)C(O)c1ccccc1Br 22a_100016993582_200011356456 [0,2,0,0,0,0|1,0,1]=4 2523 B14R1.3348 CNNC(=O)C(O)c1ccccc1Cl 22a_100016993582_100011217820 [0,2,0,0,0,0|1,0,1]=4 2524 B14R1.3348 CNNC(=O)C(O)c1ccccc1F 22a_100016993582_100011219519 [0,2,0,0,0,0|1,0,1]=4 2525 B14R1.6708 CCNC(C)(C)C(=O)c1ccccc1 2230a_100015525214_200009813919 [0,2,0,0,0,0|0,0,2]=4 2526 B14R1.1017 CC(c1ccccc1)C(N[13CH3])C(=O)O 269956a_100011215410_200025704644 [0,2,0,0,0,0|1,0,1]=4 2527 B14R1.1017 CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_200000210301 [0,2,0,0,0,0|1,0,1]=4 2528 B14R1.243 CC(C(=O)c1ccccc1Cl)N(C)C 2230a_100102631434_100010255250 [0,2,0,0,0,0|0,0,2]=4 2529 B14R1.243 CC(C(=O)c1ccccc1Cl)N(C)C 269982a_100102631434_100010255250 [0,2,0,0,0,0|0,0,2]=4 2530 B14R1.243 CN(C)C(=O)C(O)c1ccccc1Br 240690a_100102631434_200011356456 [0,2,0,0,0,0|1,0,1]=4 2531 B14R1.243 CN(C)C(=O)C(O)c1ccccc1Cl 240690a_100102631434_100011217820 [0,2,0,0,0,0|1,0,1]=4 2532 B14R1.243 CN(C)C(=O)C(O)c1ccccc1F 240690a_100102631434_100011219519 [0,2,0,0,0,0|1,0,1]=4 2533 B14R1.1027 CC(C)N(C)[C@@H](CO)c1ccccc1 269982a_100011416727_200000210301 [0,2,0,0,0,0|2,0,0]=4 2534 B14R1.1027 CC(C)N([13CH3])[C@@H](CO)c1ccccc1 269982a_100011416727_200025704644 [0,2,0,0,0,0|2,0,0]=4 2535 B14R1.1027 CN(C)C(=O)C(CO)c1ccccc1 240690a_100102631434_100011218805 [0,2,0,0,0,0|1,0,1]=4 2536 B14R1.1027 CN(C)C(=O)C(O[13CH3])c1ccccc1 34a_200012109783_200025704644 [0,2,0,0,0,0|1,0,1]=4 2537 B14R1.1027 COC(C(=O)N(C)C)c1ccccc1 34a_200012109783_200000210301 [0,2,0,0,0,0|1,0,1]=4 2538 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000698336 [0,2,0,0,0,0|1,0,1]=4 2539 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000698336 [0,2,0,0,0,0|1,0,1]=4 2540 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000698336 [0,2,0,0,0,0|1,0,1]=4 2541 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000698336 [0,2,0,0,0,0|1,0,1]=4 2542 B14R1.6306 CN(C)C(=O)[C@](C)(O)c1ccccc1 240690a_100102631434_100000753667 [0,2,0,0,0,0|1,0,1]=4 2543 B14R1.6391 CN(C)C(C)(C)C(=O)c1ccccc1 2230a_100102631434_200009813919 [0,2,0,0,0,0|0,0,2]=4 2544 B14R1.6391 CN(C)C(C)(C)C(=O)c1ccccc1 269982a_100102631434_200009813919 [0,2,0,0,0,0|0,0,2]=4 2545 B14R1.6391 CN(C)C(C)(C)N(C)c1ccccc1 269982a_100000210012_217856628674 [0,2,0,0,0,0|2,0,0]=4 2546 B14R1.521 CCC(C)C(COC)c1ccccc1 34a_200011273946_200000210301 [0,2,0,0,0,0|1,0,0]=3 2547 B14R1.521 CCC(C)C(COC)c1ccccc1 7a_200011273946_200000210301 [0,2,0,0,0,0|1,0,0]=3 2548 B14R1.521 CCC(C)C(CO[13CH3])c1ccccc1 34a_200011273946_200025704644 [0,2,0,0,0,0|1,0,0]=3 2549 B14R1.521 CCC(C)C(CO[13CH3])c1ccccc1 7a_200011273946_200025704644 [0,2,0,0,0,0|1,0,0]=3 2550 B14R1.521 CCC(C)N(CCO)c1ccccc1 2230a_100000211345_100000758301 [0,2,0,0,0,0|2,0,0]=4 2551 B14R1.521 CCC(C)N(CCO)c1ccccc1 269982a_100000211345_100000758301 [0,2,0,0,0,0|2,0,0]=4 2552 B14R1.521 CCC(C)N(CCO)c1ccccc1 34a_100000211345_100011215416 [0,2,0,0,0,0|2,0,0]=4 2553 B14R1.521 CCNC(c1ccccc1)C(C)CC 2230a_100025702663_100000210202 [0,2,0,0,0,0|2,0,0]=4 2554 B14R1.521 CCOC(C(=O)NC)c1ccccc1 34a_100012026080_100000210202 [0,2,0,0,0,0|1,0,1]=4 2555 B14R1.521 CNC(=O)C(OCF)c1ccccc1 34a_100012026080_100015361967 [0,2,0,0,0,0|1,0,1]=4 2556 B14R1.521 COC(C)N(CCO)c1ccccc1 269982a_100000211345_100009879195 [0,2,0,0,0,0|2,0,0]=4 2557 B14R1.2982 CCC(O)(C(=O)NC)c1ccccc1 240690a_100102657272_100011434905 [0,2,0,0,0,0|1,0,1]=4 2558 B14R1.2984 CCC(C)C(C(=O)C)c1ccccc1 1458a_100000211421_200000210301 [0,2,0,0,0,0|1,0,1]=4 2559 B14R1.2984 CCC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000211421_200025704644 [0,2,0,0,0,0|1,0,1]=4 2560 B14R1.7706 CNC(=O)C(OC)c1ccccc1C 11a_106832991635_100012277922 [0,2,0,0,0,0|1,0,1]=4 2561 B14R1.7706 CNC(=O)C(OC)c1ccccc1C 1626a_100102657272_100012277922 [0,2,0,0,0,0|1,0,1]=4 2562 B14R1.7706 CNC(=O)C(OC)c1ccccc1C 240690a_100102657272_100012277922 [0,2,0,0,0,0|1,0,1]=4 2563 B14R1.7706 CNC(=O)C(OC)c1ccccc1C 527a_100102657272_100012277922 [0,2,0,0,0,0|1,0,1]=4 2564 B14R1.7706 CNC(=O)C(OC)c1ccccc1F 11a_106832991635_100012277919 [0,2,0,0,0,0|1,0,1]=4 2565 B14R1.7706 CNC(=O)C(OC)c1ccccc1F 1626a_100102657272_100012277919 [0,2,0,0,0,0|1,0,1]=4 2566 B14R1.7706 CNC(=O)C(OC)c1ccccc1F 240690a_100102657272_100012277919 [0,2,0,0,0,0|1,0,1]=4 2567 B14R1.7706 CNC(=O)C(OC)c1ccccc1F 527a_100102657272_100012277919 [0,2,0,0,0,0|1,0,1]=4 2568 B14R1.8657 CNC(=O)C(O)c1c(cccc1F)F 240690a_100102657272_200011216624 [0,2,0,0,0,0|1,0,1]=4 2569 B14R1.8657 CNC(C)C(=O)c1c(cccc1F)F 2230a_106832991635_100010146243 [0,2,0,0,0,0|0,0,2]=4 2570 B14R1.8657 CNC(C)C(=O)c1c(cccc1F)F 34a_100102657272_100010146243 [0,2,0,0,0,0|0,0,2]=4 2571 B14R1.8657 CNC(C)C(=O)c1c(cccc1F)F 7a_106832991635_100010146243 [0,2,0,0,0,0|0,0,2]=4 2572 B12R1.77 C=Cc1ccccc1C(C)NC 271570a_100011290941_100000692418 [0,0,1,1,0,0|1,0,1]=4 2573 B12R1.435 C=Cc1cccc(c1)C(C)NC 271570a_100011290941_100025717457 [0,0,1,1,0,0|1,0,1]=4 2574 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [1,0,0,1,0,0|2,0,0]=4 2575 B12R2.22 CN1CC(C1)c2ccncc2 269982a_100015185986_200000210301 [1,0,0,1,0,0|2,0,0]=4 2576 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [1,0,0,1,0,0|2,0,0]=4 2577 B12R2.22 [13CH3]N1CC(C1)c2ccncc2 269982a_100015185986_200025704644 [1,0,0,1,0,0|2,0,0]=4 2578 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 2579 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 2580 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 2581 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 2582 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 2583 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 2584 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 2585 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 2586 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [1,0,0,1,0,0|1,0,1]=4 2587 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 2588 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 2589 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 2590 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 2591 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [1,0,0,1,0,0|2,0,0]=4 2592 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [1,0,0,1,0,0|0,0,0]=2 2593 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [1,0,0,1,0,0|0,0,0]=2 2594 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [1,0,0,1,0,0|0,0,0]=2 2595 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [1,0,0,1,0,0|0,0,0]=2 2596 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [1,0,0,1,0,0|0,0,0]=2 2597 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [1,0,0,1,0,0|0,0,0]=2 2598 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [1,0,0,1,0,0|2,0,0]=4 2599 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [1,0,0,1,0,0|2,0,0]=4 2600 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [1,0,0,1,0,0|2,0,0]=4 2601 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [1,0,0,1,0,0|2,0,0]=4 2602 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [1,0,0,1,0,0|2,0,0]=4 2603 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [1,0,0,1,0,0|2,0,0]=4 2604 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [1,0,0,1,0,0|2,0,0]=4 2605 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [1,0,0,1,0,0|2,0,0]=4 2606 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [1,0,0,1,0,0|2,0,0]=4 2607 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [1,0,0,1,0,0|0,0,0]=2 2608 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [1,0,0,1,0,0|0,0,0]=2 2609 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [1,0,0,1,0,0|0,0,0]=2 2610 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [1,0,0,1,0,0|0,0,0]=2 2611 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [1,0,0,1,0,0|1,0,0]=3 2612 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [1,0,0,1,0,0|1,0,0]=3 2613 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [1,0,0,1,0,0|1,0,0]=3 2614 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [1,0,0,1,0,0|0,0,0]=2 2615 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [1,0,0,1,0,0|0,0,0]=2 2616 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [1,0,0,1,0,0|1,0,0]=3 2617 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [1,0,0,1,0,0|1,0,0]=3 2618 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [1,0,0,1,0,0|2,0,0]=4 2619 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [1,0,0,1,0,0|2,0,0]=4 2620 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [1,0,0,1,0,0|2,0,0]=4 2621 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [1,0,0,1,0,0|2,0,0]=4 2622 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,0,0,1,0,1|1,0,0]=3 2623 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [0,0,0,1,0,1|2,0,0]=4 2624 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [0,0,0,1,0,1|2,0,0]=4 2625 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [0,0,0,1,0,1|2,0,0]=4 2626 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [0,0,0,1,0,1|2,0,0]=4 2627 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [0,0,0,1,0,1|2,0,0]=4 2628 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [0,0,0,1,0,1|2,0,0]=4 2629 B14R2.335 CC1CCN1C(C)c2ccccc2 269982a_100000755817_100000230085 [0,0,0,1,0,1|2,0,0]=4 2630 B14R2.335 CC1CCN1C(C)c2ccccc2 34a_100000755817_100000211855 [0,0,0,1,0,1|2,0,0]=4 2631 B14R2.794 CC(NC1CCC1)c2ccccc2 2230a_100000749019_100000230085 [0,0,0,1,0,1|2,0,0]=4 2632 B14R2.794 CC(NC1CCC1)c2ccccc2 269862a_100000749019_100000185851 [0,0,0,1,0,1|2,0,0]=4 2633 B14R2.794 CC(NC1CCC1)c2ccccc2 34a_100000749019_100000211855 [0,0,0,1,0,1|2,0,0]=4 2634 B14R2.794 CC(OC1CCC1)c2ccccc2 34a_100000748187_100000211855 [0,0,0,1,0,1|2,0,0]=4 2635 B14R2.794 CC(SC1CCC1)c2ccccc2 62a_100000230085_100000749161 [0,0,0,1,0,1|2,0,0]=4 2636 B14R2.794 C[C@@H](NC1CCC1)c2ccccc2 270004a_100000751104_100000241760 [0,0,0,1,0,1|2,0,0]=4 2637 B14R2.794 C[C@@H](OC1CCC1)c2ccccc2 34a_100000761318_100000749161 [0,0,0,1,0,1|2,0,0]=4 2638 B14R2.2986 CCN1CC(C1)(O)c2ccccc2 2230a_100000717221_100000210202 [0,0,0,1,0,1|2,0,0]=4 2639 B14R2.2986 CCN1CC(C1)(O)c2ccccc2 269982a_100000717221_100000204670 [0,0,0,1,0,1|2,0,0]=4 2640 B14R2.2986 CNC1CC(C1)(C)c2ccccc2 270004a_106832991635_100000062871 [0,0,0,1,0,1|1,0,0]=3 2641 B14R2.2986 CNC1CC(C1)(O)c2ccccc2 2230a_200025715543_200000210301 [0,0,0,1,0,1|0,0,0]=2 2642 B14R2.2986 [13CH3]NC1CC(C1)(O)c2ccccc2 2230a_200025715543_200025704644 [0,0,0,1,0,1|0,0,0]=2 2643 B14R2.9595 CC(NC1(CC1)C)c2ccccc2 2230a_100000757604_100000230085 [0,0,0,1,0,1|2,0,0]=4 2644 B14R2.9595 CC(OC1(CC1)C)c2ccccc2 7a_100011725673_100000230085 [0,0,0,1,0,1|2,0,0]=4 2645 B14R2.35816 CCC(C)OC1Cc2c1cccc2 7a_100000210228_100009813401 [0,0,0,1,0,1|2,0,0]=4 2646 B14R2.35816 CCC(C)SC1Cc2c1cccc2 62a_100000758301_100009813401 [0,0,0,1,0,1|2,0,0]=4 2647 B14R2.35816 CCC(C)SC1Cc2c1cccc2 62a_100009813401_100000758301 [0,0,0,1,0,1|2,0,0]=4 2648 B14R2.35816 COC(C)SC1Cc2c1cccc2 62a_100009813401_100009879195 [0,0,0,1,0,1|2,0,0]=4 2649 B14R2.35816 COC(C)SC1Cc2c1cccc2 62a_100009879195_100009813401 [0,0,0,1,0,1|2,0,0]=4 2650 B14R2.972 CC(N[13CH3])c1nc2ccccc2s1 2230a_100000213967_200025704644 [0,0,0,1,0,1|0,1,1]=4 2651 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 34a_100000198572_200025704644 [0,0,0,1,0,1|1,0,1]=4 2652 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 7a_100000198572_200025704644 [0,0,0,1,0,1|1,0,1]=4 2653 B14R2.972 CNC(=O)C1Cc2ccccc2O1 11a_106832991635_100000209886 [0,0,0,1,0,1|1,0,1]=4 2654 B14R2.972 CNC(=O)C1Cc2ccccc2O1 1626a_100102657272_100000209886 [0,0,0,1,0,1|1,0,1]=4 2655 B14R2.972 CNC(=O)C1Cc2ccccc2O1 240690a_100102657272_100000209886 [0,0,0,1,0,1|1,0,1]=4 2656 B14R2.972 CNC(=O)C1Cc2ccccc2O1 527a_100102657272_100000209886 [0,0,0,1,0,1|1,0,1]=4 2657 B14R2.972 CNC(C)C1Cc2ccccc2C1 269862a_106832991636_100012183946 [0,0,0,1,0,1|1,0,0]=3 2658 B14R2.972 CNC(C)c1cc2ccccc2[nH]1 269862a_106832991636_100000696822 [0,0,0,1,0,1|1,0,1]=4 2659 B14R2.972 CNC(C)c1cc2ccccc2o1 269862a_106832991636_100000185295 [0,0,0,1,0,1|0,0,1]=3 2660 B14R2.972 CNC(C)c1cc2ccccc2s1 269862a_106832991636_100011216072 [0,0,0,1,0,1|0,1,1]=4 2661 B14R2.972 CNC(C)c1nc2ccccc2[nH]1 270004a_106832991635_100000199114 [0,0,0,1,0,1|1,0,1]=4 2662 B14R2.972 CNC(C)c1nc2ccccc2s1 2230a_100000213967_200000210301 [0,0,0,1,0,1|0,1,1]=4 2663 B14R2.972 CN[C@@H](C)c1nc2ccccc2[nH]1 2230a_100015206438_200000210301 [0,0,0,1,0,1|1,0,1]=4 2664 B14R2.972 COC(C)c1cc2ccccc2o1 34a_100000198572_200000210301 [0,0,0,1,0,1|1,0,1]=4 2665 B14R2.972 COC(C)c1cc2ccccc2o1 7a_100000198572_200000210301 [0,0,0,1,0,1|1,0,1]=4 2666 B14R2.972 C[C@H](N[13CH3])c1nc2ccccc2[nH]1 2230a_100015206438_200025704644 [0,0,0,1,0,1|1,0,1]=4 2667 B14R2.10606 NC(c1ccc(cc1)O)C2CCC2 271570a_203496583355_100000743061 [0,1,0,1,0,0|2,0,0]=4 2668 B14R2.10606 Oc1ccc(cc1)C(O)C2CCC2 271570a_203496583355_100000687797 [0,1,0,1,0,0|1,0,0]=3 2669 B14R2.24 CN1CCOCC1c2ccccc2 2230a_100000765270_200000210301 [0,1,0,1,0,0|2,0,0]=4 2670 B14R2.24 CN1CCOCC1c2ccccc2 269982a_100000765270_200000210301 [0,1,0,1,0,0|2,0,0]=4 2671 B14R2.24 CN1CCOCC1c2ccccc2 34a_100000765270_200000210301 [0,1,0,1,0,0|2,0,0]=4 2672 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 2230a_100000765270_200025704644 [0,1,0,1,0,0|2,0,0]=4 2673 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 269982a_100000765270_200025704644 [0,1,0,1,0,0|2,0,0]=4 2674 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 34a_100000765270_200025704644 [0,1,0,1,0,0|2,0,0]=4 2675 B14R2.44 CCNC1Cc2ccccc2C1O 2230a_100015525214_100000211646 [0,1,0,1,0,0|0,0,0]=2 2676 B14R2.44 CCOC1Cc2ccccc2C1O 34a_100121572206_100000211646 [0,1,0,1,0,0|1,0,0]=3 2677 B14R2.44 CCSC1Cc2ccccc2C1O 62a_100000210202_100000211646 [0,1,0,1,0,0|1,0,0]=3 2678 B14R2.44 CCSC1Cc2ccccc2C1O 62a_100000211646_100000210202 [0,1,0,1,0,0|1,0,0]=3 2679 B14R2.44 OC1c2ccccc2CC1SCF 62a_100000211646_100015361967 [0,1,0,1,0,0|1,0,0]=3 2680 B14R2.44 OC1c2ccccc2CC1SCF 62a_100015361967_100000211646 [0,1,0,1,0,0|1,0,0]=3 2681 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200000210301 [0,1,0,1,0,0|1,0,0]=3 2682 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200000210301 [0,1,0,1,0,0|1,0,0]=3 2683 B14R2.14 COC1COCC1c2ccccc2 34a_100010739164_200000210301 [0,1,0,1,0,0|1,0,0]=3 2684 B14R2.14 COC1COCC1c2ccccc2 7a_100010739164_200000210301 [0,1,0,1,0,0|1,0,0]=3 2685 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200025704644 [0,1,0,1,0,0|1,0,0]=3 2686 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200025704644 [0,1,0,1,0,0|1,0,0]=3 2687 B14R2.14 [13CH3]OC1COCC1c2ccccc2 34a_100010739164_200025704644 [0,1,0,1,0,0|1,0,0]=3 2688 B14R2.14 [13CH3]OC1COCC1c2ccccc2 7a_100010739164_200025704644 [0,1,0,1,0,0|1,0,0]=3 2689 B14R2.92 CNC1CCc2ccccc2C1=O 2230a_106832991635_100000229917 [0,1,0,1,0,0|0,0,2]=4 2690 B14R2.92 CNC1CCc2ccccc2C1=O 34a_100102657272_100000229917 [0,1,0,1,0,0|0,0,2]=4 2691 B14R2.450 CN(C)C1Cc2ccccc2C1=O 269982a_100102631434_100011218503 [0,1,0,1,0,0|0,0,2]=4 2692 B14R2.450 CN(C)C1Cc2ccccc2C1O 2230a_100102631434_100000211646 [0,1,0,1,0,0|0,0,0]=2 2693 B14R2.450 CN(C)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_200000210301 [0,1,0,1,0,0|0,0,0]=2 2694 B14R2.450 CN(C)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_200000210301 [0,1,0,1,0,0|0,0,0]=2 2695 B14R2.450 CN([13CH3])[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_200025704644 [0,1,0,1,0,0|0,0,0]=2 2696 B14R2.450 CN([13CH3])[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_200025704644 [0,1,0,1,0,0|0,0,0]=2 2697 B14R2.95 CNC(C)c1coc2c1cccc2 269862a_106832991636_100000751042 [0,1,0,1,0,0|0,0,1]=3 2698 B14R2.95 CNC(C)c1csc2c1cccc2 269862a_106832991636_100000689785 [0,1,0,1,0,0|0,1,1]=4 2699 B14R2.95 CNC(C)c1n[nH]c2c1cccc2 269862a_106832991636_100000087549 [0,1,0,1,0,0|1,0,1]=4 2700 B14R2.203 CNC1c2ccccc2CCC1C 269862a_106832991636_100000696181 [0,1,0,1,0,0|2,0,0]=4 2701 B14R2.1129 CCC1Cc2ccccc2C1NC 269862a_106832991636_100011215617 [0,1,0,1,0,0|2,0,0]=4 2702 B14R2.1129 CO[C@@H]1Cc2ccccc2[C@@H]1OC 34a_200016238473_200000210301 [0,1,0,1,0,0|1,0,0]=3 2703 B14R2.1129 CO[C@@H]1Cc2ccccc2[C@@H]1OC 7a_200016238473_200000210301 [0,1,0,1,0,0|1,0,0]=3 2704 B14R2.1129 CO[C@H]1c2ccccc2C[C@H]1O[13CH3] 34a_200016238473_200025704644 [0,1,0,1,0,0|1,0,0]=3 2705 B14R2.1129 CO[C@H]1c2ccccc2C[C@H]1O[13CH3] 7a_200016238473_200025704644 [0,1,0,1,0,0|1,0,0]=3 2706 B14R2.2850 CNC(c1ccccc1)C2CCC2 269862a_106832991636_100011215208 [0,1,0,1,0,0|2,0,0]=4 2707 B14R2.2850 CN[C@@H](c1ccccc1)C2CCC2 2230a_100025717287_200000210301 [0,1,0,1,0,0|2,0,0]=4 2708 B14R2.2850 CN[C@@H](c1ccccc1)C2CCC2 34a_100025717287_200000210301 [0,1,0,1,0,0|2,0,0]=4 2709 B14R2.2850 [13CH3]N[C@@H](c1ccccc1)C2CCC2 2230a_100025717287_200025704644 [0,1,0,1,0,0|2,0,0]=4 2710 B14R2.2850 [13CH3]N[C@@H](c1ccccc1)C2CCC2 34a_100025717287_200025704644 [0,1,0,1,0,0|2,0,0]=4 2711 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,0,0,0,1,0|1,0,0]=3 2712 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [1,0,0,0,1,0|1,0,0]=3 2713 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [1,0,0,0,1,0|1,0,0]=3 2714 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,0,0,0,1,0|1,0,0]=3 2715 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [1,0,0,0,1,0|1,0,0]=3 2716 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [1,0,0,0,1,0|1,0,0]=3 2717 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [1,0,0,0,1,0|2,0,0]=4 2718 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [1,0,0,0,1,0|2,0,0]=4 2719 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [1,0,0,0,1,0|1,0,0]=3 2720 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [1,0,0,0,1,0|1,0,0]=3 2721 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [1,0,0,0,1,0|1,0,0]=3 2722 B10R1.27 CC(Cn1cccn1)N[13CH3] 2230a_100000738251_200025704644 [1,0,0,0,1,0|2,0,0]=4 2723 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [1,0,0,0,1,0|1,0,0]=3 2724 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [1,0,0,0,1,0|1,0,0]=3 2725 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [1,0,0,0,1,0|1,0,0]=3 2726 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [1,0,0,0,1,0|1,0,0]=3 2727 B10R1.27 CNC(C)Cn1cccn1 2230a_100000738251_200000210301 [1,0,0,0,1,0|2,0,0]=4 2728 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [1,0,0,0,1,0|2,0,0]=4 2729 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [1,0,0,0,1,0|2,0,0]=4 2730 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [1,0,0,0,0,1|1,0,1]=4 2731 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [1,0,0,0,0,1|1,0,1]=4 2732 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [1,0,0,0,0,1|1,0,1]=4 2733 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [1,0,0,0,0,1|1,0,1]=4 2734 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [1,0,0,0,0,1|1,0,1]=4 2735 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [1,0,0,0,0,1|1,0,1]=4 2736 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [1,0,0,0,0,1|1,0,1]=4 2737 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [1,0,0,0,0,1|1,0,1]=4 2738 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [1,0,0,0,0,1|1,0,1]=4 2739 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [1,0,0,0,0,1|1,0,1]=4 2740 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [1,0,0,0,0,1|1,0,1]=4 2741 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [1,0,0,0,0,1|1,0,1]=4 2742 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [1,0,0,0,0,1|2,0,0]=4 2743 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [1,0,0,0,0,1|2,0,0]=4 2744 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [1,0,0,0,0,1|2,0,0]=4 2745 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [1,0,0,0,0,1|2,0,0]=4 2746 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [1,0,0,0,0,1|2,0,0]=4 2747 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [1,0,0,0,0,1|2,0,0]=4 2748 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [1,0,0,0,0,1|0,0,0]=2 2749 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [1,0,0,0,0,1|0,0,0]=2 2750 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [1,0,0,0,0,1|2,0,0]=4 2751 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [1,0,0,0,0,1|2,0,0]=4 2752 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [1,0,0,0,0,1|2,0,0]=4 2753 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [1,0,0,0,0,1|2,0,0]=4 2754 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [1,0,0,0,0,1|2,0,0]=4 2755 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [1,0,0,0,0,1|2,0,0]=4 2756 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [1,0,0,0,0,1|2,0,0]=4 2757 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [1,0,0,0,0,1|2,0,0]=4 2758 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [1,0,0,0,0,1|0,0,0]=2 2759 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [1,0,0,0,0,1|0,0,0]=2 2760 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [1,0,0,0,0,1|1,0,0]=3 2761 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [1,0,0,0,0,1|1,0,0]=3 2762 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [1,0,0,0,0,1|1,0,0]=3 2763 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [1,0,0,0,0,1|1,0,0]=3 2764 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [1,0,0,0,0,1|1,0,0]=3 2765 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [1,0,0,0,0,1|2,0,0]=4 2766 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [1,0,0,0,0,1|2,0,0]=4 2767 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [1,0,0,0,0,1|2,0,0]=4 2768 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [1,0,0,0,0,1|1,0,0]=3 2769 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [1,0,0,0,0,1|1,0,0]=3 2770 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [1,0,0,0,0,1|2,0,0]=4 2771 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [1,0,0,0,0,1|2,0,0]=4 2772 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [1,0,0,0,0,1|2,0,0]=4 2773 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [1,0,0,0,0,1|2,0,0]=4 2774 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [1,0,0,0,0,1|2,0,0]=4 2775 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [1,0,0,0,0,1|2,0,0]=4 2776 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [1,0,0,0,0,1|1,0,0]=3 2777 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [1,0,0,0,0,1|1,0,0]=3 2778 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [1,0,0,0,0,1|1,0,0]=3 2779 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [1,0,0,0,0,1|1,0,0]=3 2780 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [1,0,0,0,0,1|1,0,0]=3 2781 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [1,0,0,0,0,1|2,0,0]=4 2782 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [1,0,0,0,0,1|2,0,0]=4 2783 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [1,0,0,0,0,1|2,0,0]=4 2784 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [1,0,0,0,0,1|2,0,0]=4 2785 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [1,0,0,0,0,1|2,0,0]=4 2786 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [1,0,0,0,0,1|2,0,0]=4 2787 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [1,0,0,0,0,1|2,0,0]=4 2788 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [1,0,0,0,0,1|2,0,0]=4 2789 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [1,0,0,0,0,1|1,0,0]=3 2790 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [1,0,0,0,0,1|1,0,0]=3 2791 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [1,0,0,0,0,1|1,0,0]=3 2792 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [1,0,0,0,0,1|2,0,0]=4 2793 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [1,0,0,0,0,1|2,0,0]=4 2794 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [1,0,0,0,0,1|2,0,0]=4 2795 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [1,0,0,0,0,1|1,0,0]=3 2796 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [1,0,0,0,0,1|1,0,0]=3 2797 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [1,0,0,0,0,1|2,0,0]=4 2798 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [1,0,0,0,0,1|2,0,0]=4 2799 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [1,0,0,0,0,1|2,0,0]=4 2800 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [1,0,0,0,0,1|2,0,0]=4 2801 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [1,0,0,0,0,1|2,0,0]=4 2802 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [1,0,0,0,0,1|2,0,0]=4 2803 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [1,0,0,0,0,1|2,0,0]=4 2804 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [1,0,0,0,0,1|2,0,0]=4 2805 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [1,0,0,0,0,1|2,0,0]=4 2806 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [1,0,0,0,0,1|2,0,0]=4 2807 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [1,0,0,0,0,1|2,0,0]=4 2808 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [1,0,0,0,0,1|2,0,0]=4 2809 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [1,0,0,0,0,1|2,0,0]=4 2810 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [1,0,0,0,0,1|2,0,0]=4 2811 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [1,0,0,0,0,1|2,0,0]=4 2812 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [1,0,0,0,0,1|2,0,0]=4 2813 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [1,0,0,0,0,1|2,0,0]=4 2814 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [1,0,0,0,0,1|2,0,0]=4 2815 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [1,0,0,0,0,1|2,0,0]=4 2816 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [1,0,0,0,0,1|2,0,0]=4 2817 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [1,0,0,0,0,1|2,0,0]=4 2818 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [1,0,0,0,0,1|1,0,0]=3 2819 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [1,0,0,0,0,1|1,0,0]=3 2820 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [1,0,0,0,0,1|1,0,0]=3 2821 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [1,0,0,0,0,1|2,0,0]=4 2822 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [1,0,0,0,0,1|2,0,0]=4 2823 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [1,0,0,0,0,1|2,0,0]=4 2824 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [1,0,0,0,0,1|1,0,0]=3 2825 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [1,0,0,0,0,1|1,0,0]=3 2826 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [1,0,0,0,0,1|2,0,0]=4 2827 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [1,0,0,0,0,1|2,0,0]=4 2828 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [1,0,0,0,0,1|2,0,0]=4 2829 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [1,0,0,0,0,1|2,0,0]=4 2830 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [1,0,0,0,0,1|2,0,0]=4 2831 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [1,0,0,0,0,1|2,0,0]=4 2832 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [1,0,0,0,0,1|1,0,1]=4 2833 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [1,0,0,0,0,1|1,0,1]=4 2834 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [1,0,0,0,0,1|1,0,1]=4 2835 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [1,0,0,0,0,1|1,0,1]=4 2836 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [1,0,0,0,0,1|1,0,1]=4 2837 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [1,0,0,0,0,1|1,0,1]=4 2838 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [1,0,0,0,0,1|1,0,1]=4 2839 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [1,0,0,0,0,1|1,0,1]=4 2840 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [1,0,0,0,0,1|1,0,1]=4 2841 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [1,0,0,0,0,1|1,0,1]=4 2842 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [1,0,0,0,0,1|1,0,1]=4 2843 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [1,0,0,0,0,1|1,0,1]=4 2844 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [1,0,0,0,0,1|1,0,1]=4 2845 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [1,0,0,0,0,1|1,0,1]=4 2846 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [1,0,0,0,0,1|1,0,1]=4 2847 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [1,0,0,0,0,1|1,0,1]=4 2848 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [1,0,0,0,0,1|1,0,1]=4 2849 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [1,0,0,0,0,1|1,0,1]=4 2850 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [1,0,0,0,0,1|1,0,1]=4 2851 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [1,0,0,0,0,1|1,0,1]=4 2852 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [1,0,0,0,0,1|1,0,1]=4 2853 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [1,0,0,0,0,1|1,0,1]=4 2854 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [1,0,0,0,0,1|1,0,1]=4 2855 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [1,0,0,0,0,1|0,0,0]=2 2856 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [1,0,0,0,0,1|0,0,0]=2 2857 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [1,0,0,0,0,1|0,0,0]=2 2858 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [1,0,0,0,0,1|0,0,0]=2 2859 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [1,0,0,0,0,1|0,0,0]=2 2860 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [1,0,0,0,0,1|0,0,0]=2 2861 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [1,0,0,0,0,1|0,0,0]=2 2862 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [1,0,0,0,0,1|1,0,1]=4 2863 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [1,0,0,0,0,1|1,0,1]=4 2864 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [1,0,0,0,0,1|1,0,0]=3 2865 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [1,0,0,0,0,1|1,0,0]=3 2866 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [1,0,0,0,0,1|1,0,0]=3 2867 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [1,0,0,0,0,1|1,0,0]=3 2868 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [1,0,0,0,0,1|2,0,0]=4 2869 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [1,0,0,0,0,1|2,0,0]=4 2870 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [1,0,0,0,0,1|2,0,0]=4 2871 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [1,0,0,0,0,1|2,0,0]=4 2872 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [1,0,0,0,0,1|2,0,0]=4 2873 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [1,0,0,0,0,1|2,0,0]=4 2874 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [1,0,0,0,0,1|1,0,0]=3 2875 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [1,0,0,0,0,1|1,0,0]=3 2876 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [1,0,0,0,0,1|1,0,0]=3 2877 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [1,0,0,0,0,1|1,0,0]=3 2878 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [1,0,0,0,0,1|2,0,0]=4 2879 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [1,0,0,0,0,1|2,0,0]=4 2880 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [1,0,0,0,0,1|2,0,0]=4 2881 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [1,0,0,0,0,1|2,0,0]=4 2882 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [1,0,0,0,0,1|2,0,0]=4 2883 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [1,0,0,0,0,1|2,0,0]=4 2884 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [1,0,0,0,0,1|2,0,0]=4 2885 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [1,0,0,0,0,1|2,0,0]=4 2886 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [1,0,0,0,0,1|2,0,0]=4 2887 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [1,0,0,0,0,1|2,0,0]=4 2888 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [1,0,0,0,0,1|2,0,0]=4 2889 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [1,0,0,0,0,1|2,0,0]=4 2890 B14R1.163 C#CC(C)NCC(O)c1ccccc1 2230a_100000707721_100000185958 [0,0,0,0,0,2|1,0,1]=4 2891 B14R1.163 C#CC(C)NCC(O)c1ccccc1 34a_100000707721_100000185958 [0,0,0,0,0,2|1,0,1]=4 2892 B14R1.163 C#CC(C)NC[C@@H](O)c1ccccc1 2230a_100000707721_100011933945 [0,0,0,0,0,2|1,0,1]=4 2893 B14R1.163 C#CC(C)NC[C@@H](O)c1ccccc1 34a_100000707721_100011933945 [0,0,0,0,0,2|1,0,1]=4 2894 B14R1.163 C#CC(C)SCC(O)c1ccccc1 62a_200000035995_100000185958 [0,0,0,0,0,2|1,0,1]=4 2895 B14R1.163 C#CC(C)SC[C@@H](O)c1ccccc1 62a_200000035995_100011933945 [0,0,0,0,0,2|1,0,1]=4 2896 B14R1.163 C#C[C@@H](C)OCC(O)c1ccccc1 34a_100009815206_100000185958 [0,0,0,0,0,2|1,0,1]=4 2897 B14R1.163 C#C[C@@H](C)OCC(O)c1ccccc1 7a_100009815206_100000185958 [0,0,0,0,0,2|1,0,1]=4 2898 B14R1.163 C#C[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100009815206_100011933945 [0,0,0,0,0,2|1,0,1]=4 2899 B14R1.163 C#C[C@@H](C)OC[C@@H](O)c1ccccc1 7a_100009815206_100011933945 [0,0,0,0,0,2|1,0,1]=4 2900 B14R1.163 C=CC(C)OCC(O)c1ccccc1 34a_100000695699_100000185958 [0,0,0,0,0,2|1,0,1]=4 2901 B14R1.163 C=CC(C)OC[C@@H](O)c1ccccc1 34a_100000695699_100011933945 [0,0,0,0,0,2|1,0,1]=4 2902 B14R1.163 C=CC(C)SCC(O)c1ccccc1 62a_100011215867_100000185958 [0,0,0,0,0,2|1,0,1]=4 2903 B14R1.163 C=CC(C)SC[C@@H](O)c1ccccc1 62a_100011215867_100011933945 [0,0,0,0,0,2|1,0,1]=4 2904 B14R1.163 CC(C#N)NCC(O)c1ccccc1 2230a_100000210709_100000184139 [0,0,0,0,0,2|2,0,0]=4 2905 B14R1.163 CC(C#N)NCC(O)c1ccccc1 2230a_100000737613_100000185958 [0,0,0,0,0,2|2,0,0]=4 2906 B14R1.163 CC(C#N)NC[C@@H](O)c1ccccc1 2230a_100000737613_100011933945 [0,0,0,0,0,2|2,0,0]=4 2907 B14R1.163 CC(C#N)OCC(O)c1ccccc1 34a_100011218135_100000185958 [0,0,0,0,0,2|2,0,0]=4 2908 B14R1.163 CC(C#N)OC[C@@H](O)c1ccccc1 34a_100011218135_100011933945 [0,0,0,0,0,2|2,0,0]=4 2909 B14R1.163 CC(C#N)SCC(O)c1ccccc1 62a_100000185958_100000703298 [0,0,0,0,0,2|2,0,0]=4 2910 B14R1.163 CC(C#N)SCC(O)c1ccccc1 62a_100000703298_100000185958 [0,0,0,0,0,2|2,0,0]=4 2911 B14R1.163 CC(C#N)SC[C@@H](O)c1ccccc1 62a_100000703298_100011933945 [0,0,0,0,0,2|2,0,0]=4 2912 B14R1.163 CC(C#N)SC[C@@H](O)c1ccccc1 62a_100011933945_100000703298 [0,0,0,0,0,2|2,0,0]=4 2913 B14R1.163 CC(CF)OCC(O)c1ccccc1 34a_100016041109_100000185958 [0,0,0,0,0,2|2,0,0]=4 2914 B14R1.163 CC(CF)OCC(O)c1ccccc1 7a_100016041109_100000185958 [0,0,0,0,0,2|2,0,0]=4 2915 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 34a_100016041109_100011933945 [0,0,0,0,0,2|2,0,0]=4 2916 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 7a_100016041109_100011933945 [0,0,0,0,0,2|2,0,0]=4 2917 B14R1.163 CC(CN)OCC(O)c1ccccc1 34a_100000210904_100000185958 [0,0,0,0,0,2|2,0,0]=4 2918 B14R1.163 CC(CN)OC[C@@H](O)c1ccccc1 34a_100000210904_100011933945 [0,0,0,0,0,2|2,0,0]=4 2919 B14R1.163 CC(CO)NCC(O)c1ccccc1 2230a_100000210709_100012180447 [0,0,0,0,0,2|2,0,0]=4 2920 B14R1.163 CC(CO)SCC(O)c1ccccc1 62a_100012180447_100000185958 [0,0,0,0,0,2|2,0,0]=4 2921 B14R1.163 CC(CO)SC[C@@H](O)c1ccccc1 62a_100012180447_100011933945 [0,0,0,0,0,2|2,0,0]=4 2922 B14R1.163 CCC(C)CNC(C)c1ccccc1 2230a_100020588543_100000230085 [0,0,0,0,0,2|2,0,0]=4 2923 B14R1.163 CCC(C)CNC(C)c1ccccc1 269862a_100020588543_100000185851 [0,0,0,0,0,2|2,0,0]=4 2924 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748023 [0,0,0,0,0,2|2,0,0]=4 2925 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000243153 [0,0,0,0,0,2|2,0,0]=4 2926 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748023 [0,0,0,0,0,2|2,0,0]=4 2927 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748023 [0,0,0,0,0,2|2,0,0]=4 2928 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000230085_100000748023 [0,0,0,0,0,2|2,0,0]=4 2929 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000748023_100000230085 [0,0,0,0,0,2|2,0,0]=4 2930 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000209981_100000756946 [0,0,0,0,0,2|2,0,0]=4 2931 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000758301 [0,0,0,0,0,2|2,0,0]=4 2932 B14R1.163 CCC(C)NCC(C)c1ccccc1 270004a_100000209981_100000212034 [0,0,0,0,0,2|2,0,0]=4 2933 B14R1.163 CCC(C)NCC(C)c1ccccc1 34a_100000701038_100011215416 [0,0,0,0,0,2|2,0,0]=4 2934 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000209981_100000185958 [0,0,0,0,0,2|1,0,0]=3 2935 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000758301 [0,0,0,0,0,2|1,0,0]=3 2936 B14R1.163 CCC(C)NCC(O)c1ccccn1 2230a_100000691469_100000758301 [0,0,0,0,0,2|2,0,0]=4 2937 B14R1.163 CCC(C)NCC(O)c1cccnc1 2230a_100020605170_100000758301 [0,0,0,0,0,2|2,0,0]=4 2938 B14R1.163 CCC(C)NC[C@@H](O)c1ccccc1 2230a_100000209981_100011933945 [0,0,0,0,0,2|1,0,0]=3 2939 B14R1.163 CCC(C)OCC(C)c1ccccc1 34a_100011215166_100011215416 [0,0,0,0,0,2|2,0,0]=4 2940 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100000210228_100000756946 [0,0,0,0,0,2|2,0,0]=4 2941 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100011215166_100000758301 [0,0,0,0,0,2|2,0,0]=4 2942 B14R1.163 CCC(C)OCC(O)c1ccccc1 7a_100000210228_100000185958 [0,0,0,0,0,2|1,0,0]=3 2943 B14R1.163 CCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100011215416 [0,0,0,0,0,2|2,0,0]=4 2944 B14R1.163 CCC(C)OC[C@@H](O)c1ccccc1 7a_100000210228_100011933945 [0,0,0,0,0,2|1,0,0]=3 2945 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000756946_100000758301 [0,0,0,0,0,2|2,0,0]=4 2946 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000758301_100000756946 [0,0,0,0,0,2|2,0,0]=4 2947 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000185958_100000758301 [0,0,0,0,0,2|1,0,0]=3 2948 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000758301_100000185958 [0,0,0,0,0,2|1,0,0]=3 2949 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100000758301_100011933945 [0,0,0,0,0,2|1,0,0]=3 2950 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000758301 [0,0,0,0,0,2|1,0,0]=3 2951 B14R1.163 CCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210202 [0,0,0,0,0,2|2,0,0]=4 2952 B14R1.163 CCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000204670 [0,0,0,0,0,2|2,0,0]=4 2953 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 2230a_100000225621_100000729684 [0,0,0,0,0,2|2,0,0]=4 2954 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 269982a_100000225621_100000729684 [0,0,0,0,0,2|2,0,0]=4 2955 B14R1.163 CC[C@H](C)CN[C@H](C)c1ccccc1 2230a_100000751104_100009816398 [0,0,0,0,0,2|2,0,0]=4 2956 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 7a_100009816381_100000230085 [0,0,0,0,0,2|2,0,0]=4 2957 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 34a_100000761318_100009816398 [0,0,0,0,0,2|2,0,0]=4 2958 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 7a_100000761318_100009816398 [0,0,0,0,0,2|2,0,0]=4 2959 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100000230085_100009816398 [0,0,0,0,0,2|2,0,0]=4 2960 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100009816398_100000230085 [0,0,0,0,0,2|2,0,0]=4 2961 B14R1.163 CNC(=O)NCC(O)c1ccccc1 2708a_100102657272_100000210709 [0,0,0,0,0,2|1,0,1]=4 2962 B14R1.163 CNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100102657272 [0,0,0,0,0,2|1,0,1]=4 2963 B14R1.163 CNC(=O)NCC(O)c1ccccc1 273464a_100102657272_100000210709 [0,0,0,0,0,2|1,0,1]=4 2964 B14R1.163 CNC(=O)NCC(O)c1ccccc1 512a_106832991638_100000210709 [0,0,0,0,0,2|1,0,1]=4 2965 B14R1.163 CNC(C)COC(=O)c1ccccc1 270004a_106832991635_100000000904 [0,0,0,0,0,2|0,0,2]=4 2966 B14R1.163 COC(C)COC(C)c1ccccc1 34a_100000690652_100000211855 [0,0,0,0,0,2|2,0,0]=4 2967 B14R1.163 COC(C)SCC(C)c1ccccc1 62a_100000756946_100009879195 [0,0,0,0,0,2|2,0,0]=4 2968 B14R1.163 COC(C)SCC(C)c1ccccc1 62a_100009879195_100000756946 [0,0,0,0,0,2|2,0,0]=4 2969 B14R1.163 COC(C)SCC(O)c1ccccc1 62a_100000185958_100009879195 [0,0,0,0,0,2|1,0,0]=3 2970 B14R1.163 COC(C)SCC(O)c1ccccc1 62a_100009879195_100000185958 [0,0,0,0,0,2|1,0,0]=3 2971 B14R1.163 COC(C)SC[C@@H](O)c1ccccc1 62a_100009879195_100011933945 [0,0,0,0,0,2|1,0,0]=3 2972 B14R1.163 COC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100009879195 [0,0,0,0,0,2|1,0,0]=3 2973 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 2230a_100020591295_100000230085 [0,0,0,0,0,2|2,0,0]=4 2974 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 269862a_100020591295_100000185851 [0,0,0,0,0,2|2,0,0]=4 2975 B14R1.163 C[C@H](CO)NCC(O)c1ccccc1 2230a_100000737577_100000185958 [0,0,0,0,0,2|2,0,0]=4 2976 B14R1.163 C[C@H](CO)NC[C@@H](O)c1ccccc1 2230a_100000737577_100011933945 [0,0,0,0,0,2|2,0,0]=4 2977 B14R1.163 C[C@H](CO)SCC(O)c1ccccc1 62a_100000185958_100016084084 [0,0,0,0,0,2|2,0,0]=4 2978 B14R1.163 C[C@H](CO)SCC(O)c1ccccc1 62a_100016084084_100000185958 [0,0,0,0,0,2|2,0,0]=4 2979 B14R1.163 C[C@H](CO)SC[C@@H](O)c1ccccc1 62a_100011933945_100016084084 [0,0,0,0,0,2|2,0,0]=4 2980 B14R1.163 C[C@H](CO)SC[C@@H](O)c1ccccc1 62a_100016084084_100011933945 [0,0,0,0,0,2|2,0,0]=4 2981 B14R1.743 CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011215416 [0,0,0,0,0,2|2,0,0]=4 2982 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000210228_200011218536 [0,0,0,0,0,2|2,0,0]=4 2983 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000758301 [0,0,0,0,0,2|2,0,0]=4 2984 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_100000758301_200011218536 [0,0,0,0,0,2|2,0,0]=4 2985 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000758301 [0,0,0,0,0,2|2,0,0]=4 2986 B14R1.743 CCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000225621_100000729385 [0,0,0,0,0,2|2,0,0]=4 2987 B14R1.743 CCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000225621_100000729385 [0,0,0,0,0,2|2,0,0]=4 2988 B14R1.743 COC(C)SC(C)Cc1ccccc1 62a_100009879195_200011218536 [0,0,0,0,0,2|2,0,0]=4 2989 B14R1.743 COC(C)SC(C)Cc1ccccc1 62a_200011218536_100009879195 [0,0,0,0,0,2|2,0,0]=4 2990 B14R1.756 CC(N[13CH3])C(=O)NCc1ccccc1 2230a_100000744559_200025704644 [0,0,0,0,0,2|0,0,2]=4 2991 B14R1.756 CC(N[13CH3])C(=O)NCc1ccccc1 34a_100000744559_200025704644 [0,0,0,0,0,2|0,0,2]=4 2992 B14R1.756 CCC(C)C(C)NCc1ccccc1 269862a_100015324214_100000210599 [0,0,0,0,0,2|2,0,0]=4 2993 B14R1.756 CCC(C)C(C)NCc1ccccc1 270004a_100015324214_100000210599 [0,0,0,0,0,2|2,0,0]=4 2994 B14R1.756 CCC(C)C(C)OCc1ccccc1 7a_100011215189_100000211182 [0,0,0,0,0,2|2,0,0]=4 2995 B14R1.756 CNC(=O)C(O)CCc1ccccc1 240690a_100102657272_100000242596 [0,0,0,0,0,2|1,0,1]=4 2996 B14R1.756 CNC(C)C(=O)NCc1ccccc1 2230a_100000744559_200000210301 [0,0,0,0,0,2|0,0,2]=4 2997 B14R1.756 CNC(C)C(=O)NCc1ccccc1 2230a_106832991635_100000183842 [0,0,0,0,0,2|0,0,2]=4 2998 B14R1.756 CNC(C)C(=O)NCc1ccccc1 34a_100000744559_200000210301 [0,0,0,0,0,2|0,0,2]=4 2999 B14R1.756 CNC(C)C(=O)NCc1ccccc1 34a_100102657272_200011934207 [0,0,0,0,0,2|0,0,2]=4 3000 B14R1.756 CNC(C)C(=O)NCc1ccccc1 7a_106832991635_100000183842 [0,0,0,0,0,2|0,0,2]=4